Onto-MS: An Ontology for the multi-scale simulation.
language en

Onto-MS: An Ontology for the multi-scale simulation.

Release: 11.07.2023

This version:
http://w3id.org/OntoMS
Revision:
v 0.1
Authors:
Hafiz Noman, (Karlsruher Institut für Technologie (KIT))
Contributors:
Michael Selzer , (Karlsruher Institut für Technologie (KIT))
Publisher:
POLIS
Download serialization:
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License:
https://creativecommons.org/licenses/by/4.0/
Visualization:
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Cite as:
Hafiz Noman, (Karlsruher Institut für Technologie (KIT)) Onto-MS: An Ontology for the multi-scale simulation. Revision: v 1.0. Retrieved from: http://w3id.org/OntoMS/
Ontology Specification Draft

Abstract

This study focuses on building an ontology for a multi-scale simulation process. The Onto-MS was constructed following an iterative procedure in Web Ontology Language (OWL) and an open-source ontology editor called protégé. The ontology's concepts (classes) and their hierarchy, relationships, and axioms were finalized with the assistance of domain experts. Some concepts were taken from other ontologies and then extended as needed. Ensuring the use of already defined semantically equivalent concepts, rather than creating new ones, was a priority. Utilizing the Linked Data concept, the developed ontology's concepts are interlinked with other structured data (ontologies) on the web via unique identifiers, resulting in enhanced semantic capability. EMMO ontology, BattINFO, and PROV-O are some examples of interlinked ontologies. The developed ontology conveniently represents structured and organized information, formally describing the multi-scale simulation process through explicit ontological concepts and their possible relationships. However, ontology development is an ongoing process; nevertheless, the constructed ontologies can be effectively utilized for their intended purpose. Refinements are made at regular intervals as new information becomes available. The ontology is published on GitHub Pages and accessible via the following link. https://kit-mms.github.io/Onto4POLIS.github.io/

Introduction back to ToC

This is a placeholder text for the introduction. The introduction should briefly describe the ontology, its motivation, state of the art, and goals.

Namespace declarations

Table 1: Namespaces used in the document
OntoMS<http://w3id.org/OntoMS#0>
dc<http://purl.org/dc/elements/1.1/>
dcterms<http://purl.org/dc/terms/>
foaf<http://xmlns.com/foaf/0.1/>
metadata4ing<http://w3id.org/nfdi4ing/metadata4ing#>
obo<http://purl.obolibrary.org/obo/>
owl<http://www.w3.org/2002/07/owl#>
prov<http://www.w3.org/ns/prov#>
rdf<http://www.w3.org/1999/02/22-rdf-syntax-ns#>
rdfs<http://www.w3.org/2000/01/rdf-schema#>
resource<http://semanticscience.org/resource/>
schema<https://schema.org/>
skos<http://www.w3.org/2004/02/skos/core#>
tema<https://purl.org/tema/>
xml<http://www.w3.org/XML/1998/namespace>
xsd<http://www.w3.org/2001/XMLSchema#>

Onto-MS: Overview back to ToC

This ontology has the following classes and properties.

Classes

Object Properties

Onto-MS: Description back to ToC

Onto-MS: An Ontology for the multi-scale simulation methods. Onto-MS is an ontology developed to model the multi-scale simulation process in computational material science. The ontology represents simulation methods across various length scales, i.e., atomic, nano, micro, and macro. Onto-MS was constructed following a seven-step procedure in web ontology language (OWL) and an open-source ontology editor called protégé. The ontology's concepts (classes) and their hierarchy, relationships, and axioms were finalized with the assistance of domain experts. The ontology's concepts are interlinked with other structured data (ontologies) on the web via unique identifiers by utilizing linked data principles, resulting in enhanced semantic capability, e.g., EMMO ontology, BattINFO, and PROV-O are some examples of interlinked ontologies. Ensuring the use of already defined semantically equivalent concepts, rather than creating new ones, was a priority. For more details, please visit https://kit-mms.github.io/Onto4POLIS.github.io/

Cross-reference for Onto-MS classes, object properties and data properties back to ToC

This section provides details for each class and property defined by Onto-MS.

Classes

0D Geometryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#0DGeometry

Material shapes in which all three external dimensions are of comparable magnitude, resulting in an approximately isotropic form. Typical examples include spheres, cubes, or other particle-like morphologies.
has super-classes
Material Shape c

1D Geometryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#1DGeometry

Material shapes characterized by one dimension being significantly larger than the other two, resulting in elongated or fiber-like structures. Examples include rods, wires, and nanotubes.
has super-classes
Material Shape c

2D Geometryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#2DGeometry

Material shapes characterized by two extended dimensions and one much smaller dimension (thickness), resulting in sheet-like or film-like forms. Examples include thin films, membranes, and platelets.
has super-classes
Material Shape c

3D Geometryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#3DGeometry

Material shapes extended in all three dimensions without strong anisotropy, often corresponding to bulk or volumetric structures. Examples include porous foams, composites, and monolithic solids.
has super-classes
Material Shape c

Access Conditionc back to ToC or Class ToC

IRI: https://purl.org/tema/AccessCondition

"Accessibility" refers to the extent to which software or digital products are usable, inclusive, and available to individuals
has sub-classes
Close Source c, Internal Accessibility c, Open Source c

Agencyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_a49c2441_1e54_43f0_a1cf_2f553a23ac34

A process that occurs because of the exercise of the capacity to act of an agent.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
ProcessByAgency c
has sub-classes
IntentionalAgency c, UnintentionalAgency c

Agentc back to ToC or Class ToC

IRI: http://www.w3.org/ns/prov#Agent

An agent is something that bears some form of responsibility for an activity taking place, for the existence of an entity, or for another agent's activity.
Is defined by
http://www.w3.org/ns/prov-o#
is equivalent to
IntentionalAgent c
has sub-classes
Organization c, Person c, SoftwareAgent c

Agentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_2480b72b_db8d_460f_9a5f_c2912f979046

A participant that is the driver of a process.
Previous version:
The agent concept identifies the parts of a process that are also its drivers. An agent part has an active role with respect to any other generic part, meaning that is involved in the causal chain that characterize the process. An agent is a participant, meaning that is qualifiable as an object. As for all holistic relations, there is a level of subjectivity in drawing whole-role relations, so that the identification of an agent within a process is not fully axiomatizable. What is axiomatically expressible is that an agent requires to be part of a process (i.e., an agent exists only within a process) but a process may not require an agent to exist (qualified role). Agentless processes may have a distributed causality chain so that the agency is exerted collectively and there is no motivation to draw an holistic connection between the whole and some parts. For example, the breaking of a nail can be caused by an agent such as an hammer, or by the rusting process which is not a participant as required by the agent definition. This concept covers both intentional and non intentional agency.
Is defined by
https://w3id.org/emmo/reference/workflow#
Example 
A catalyst. A bus driver. A substance that is initiating a reaction that would not occur without its presence.
has super-classes
ParticipantByAgency c
has sub-classes
IntentionalAgent c, UnintentionalAgent c

Algorithmc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Algorithm

An algorithm is a general concept that refers to a set of step-by-step instructions or rules for solving a problem or accomplishing a task. It represents an abstract, generic procedure that can be applied to various situations.
has super-classes
Simulation Component c
has sub-classes
Solver c

ApplicationProgramc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_3b031fa9_8623_4ea5_8b57_bcafb70c5c8b

A program aimed to provide a specific high level function to the user, usually hiding lower level procedures.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
Example 
Word processors, graphic image processing programs, database management systems, numerical simulation software and games.
has super-classes
Program c
has sub-classes
DataProcessingApplication c, SimulationApplication c

Atomistic Scalec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#AtomisticScale

The level of representation where matter is modeled as discrete atoms, with interactions described by interatomic potentials or force fields. Typical methods include molecular dynamics and classical Monte Carlo simulations. Approximate length scale: 0.1–10 nm.
has super-classes
Model Scale c

Atomsc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/Atomistic

A fundamental unit of matter consisting of a nucleus and electrons, which is the smallest entity of a chemical element that retains its elemental properties. In simulations, atoms are explicitly modeled as discrete entities or as part of clusters to investigate atomic-scale structure, dynamics, and interactions. Used in molecular dynamics (MD), quantum chemistry, density functional theory (DFT), and other atomistic simulations. Scale: atomic (nanometer scale)
has super-classes
Model Entity c
has sub-classes
DFT-VASP c

BDF+PARDISO+Automaticc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BDF+PARDISO+Automatic

has super-classes
Time Dependent Direct c

Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Bester

has super-classes
Micro Scale c, Published Physical Model c

Bester Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BesterBoundaryCondition

has super-classes
NVP/C Boundary Condition c

Bester Inferred Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BesterInferredResult

has super-classes
Inferred Measurement Result c

Bester Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BesterModelValidation

has super-classes
Simulation Model Validation c

Bester Raw Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BesterRawResult

has super-classes
RawMeasurementResult c

Bester Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BesterSolver

has super-classes
Numerical Solver c

Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#BoundaryCondition

A boundary condition is a specific type of mathematical condition that refers to the specifications or constraints applied to the boundaries or interfaces of a simulation system
has super-classes
Input for Simulation c, Mathematical Condition c
has sub-classes
NVP/C Boundary Condition c

centuryc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000431

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, day c, millennium c, hour c, minute c, second c

Close Sourcec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#CloseSource

"Close source" refers to software that is distributed without its source code being accessible. There is no free source code available for modification, redistribution, or inspection for such proprietary software
has super-classes
Access Condition c

commentc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001167

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c

Componentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_f76884f7_964e_488e_9bb7_1b2453e9e817

A constituent of a system.
Is defined by
https://w3id.org/emmo/reference/persholistic#
has super-classes
Constituent c
has sub-classes
Simulation Component c

Computationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_eff42cb3_208e_4768_9a39_f8b6b3c3d7a2

A procedure that deals with quantitative symbols (i.e. symbols associated with a quantitative oriented language).
Is defined by
https://w3id.org/emmo/disciplines/models#
Example 
A mathematician that calculates 2+2.
A computation machine that calculate the average value of a dataset.
has super-classes
Procedure c
has sub-classes
DataProcessing c, PhysicsMathematicalComputation c, Simulation c

Conductivity of Pure Materialc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductivityOfPureMaterial

has super-classes
Input For Resistor Network c

Conducto Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductoBester

has super-classes
Numerical Solver c

ConductoBester Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductoBesterBoundaryCondition

has super-classes
NVP/C Boundary Condition c

ConductoBester Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductoBesterInferredMeasurementResult

has super-classes
Inferred Measurement Result c

ConductoBester Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductoBesterModelValidation

has super-classes
Simulation Model Validation c

ConductoBester Raw Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConductoBesterRawMeasurementResult

has super-classes
RawMeasurementResult c

Considered Material for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForBester

has super-classes
Considered Material for Simulation c

Considered Material for ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForConductoBester

has super-classes
Considered Material for Simulation c

Considered Material for DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForDFT

has super-classes
Considered Material for Simulation c

Considered Material for P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForP3D

has super-classes
Considered Material for Simulation c

Considered Material for PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForPhaseField

has super-classes
Considered Material for Simulation c

Considered Material for ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForResistorNetwork

has super-classes
Considered Material for Simulation c

Considered Material for Simulationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ConsideredMaterialForSimulation

A specific material entity that has been defined or selected for use in a particular simulation task. It represents the material’s conceptual presence in the modeling process, often informing the choice of constitutive laws, parameters, or models, without being a direct numerical input..
has super-classes
Material Entity c
has sub-classes
Considered Material for Bester c, Considered Material for ConductoBester c, Considered Material for DFT c, Considered Material for P3D c, Considered Material for PhaseField c, Considered Material for ResistorNetwork c

Constantc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8c64fcfa_23aa_45f8_9e58_bdfd065fab8f

A variable that stand for a numerical constant, even if it is unknown.
Is defined by
https://w3id.org/emmo/disciplines/math#
has super-classes
NumericalVariable c
has sub-classes
KnownConstant c

Constituentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_ceaaf9f7_fd11_424b_8fda_9afa186af186

An object which is a spatial part of another object.
Is defined by
https://w3id.org/emmo/perspectives/persistence#
Example 
A tire is a constituent of a car.
has super-classes
ObjectByContext c
has sub-classes
Component c

Continuum Materialc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ContinuumMaterial

A material entity modeled as a continuous medium, typically at the macroscopic or mesoscopic scale, whose behavior is governed by continuum mechanics principles (e.g., stress-strain relations, thermal conductivity). This concept is used in simulations such as finite element analysis or finite volume methods to analyze material behavior at scales where discrete atomic or molecular structure is not explicitly represented.
has super-classes
Model Entity c

ConventionalPropertyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d8aa8e1f_b650_416d_88a0_5118de945456

A property that is associated to an object by convention, or assumption.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
Example 
The thermal conductivity of a copper sample in my laboratory can be assumed to be the conductivity that appears in the vendor specification. This value has been obtained by measurement of a sample which is not the one I have in my laboratory. This conductivity value is then a conventional quantitiative property assigned to my sample through a semiotic process in which no actual measurement is done by my laboratory.

If I don't believe the vendor, then I can measure the actual thermal conductivity. I then perform a measurement process that semiotically assign another value for the conductivity, which is a measured property, since is part of a measurement process.

Then I have two different physical quantities that are properties thanks to two different semiotic processes.
has super-classes
ObjectiveProperty c

Coupledc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_02c4890b_aef3_4173_9669_94d1f6baf611

Is defined by
https://w3id.org/emmo/disciplines/models#
is equivalent to
IterativeCoupledModelsSimulation c or TightlyCoupledModelsSimulation c
has super-classes
MultiSimulation c
has sub-classes
IterativeCoupledModelsSimulation c, TightlyCoupledModelsSimulation c

Databasec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_1beed5ca_2bab_425d_bbe6_db6fab6ffe64

A structured collection of data held in a computer system that has a well-defined interface.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
Example 
- A database covering nine million chemical compositions.
- A thermodynamic database.
has super-classes
DigitalData c

DataBasedSimulationSoftwarec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_a4b14b83_9392_4a5f_a2e8_b2b58793f59b

A computational application that uses existing data to predict the behaviour of a system without providing a identifiable analogy with the original object.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
SimulationApplication c

DataProcessingc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_1c7f2dfe_0db4_4bf6_a0f6_853054a34ead

A computation that provides a data output following the elaboration of some input data, using a data processing application.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
Computation c

DataProcessingApplicationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_cbf42aa6_9e11_4be8_932a_ae3c792ab17d

Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
ApplicationProgram c

dateOfDatabaseSubmissionc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001083

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

dateOfIssuec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001314

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

dayc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000430

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, century c, millennium c, hour c, minute c, second c

descriptionc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000136

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
language Entity c
has sub-classes
proposition c

DFT Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DFTBoundaryCondition

has super-classes
NVP/C Boundary Condition c

DFT Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DFTInferredMeasurementResult

has super-classes
Inferred Measurement Result c

DFT Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DFTModelValidation

has super-classes
Simulation Model Validation c

DFT Raw Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DFTRawMeasurementResult

has super-classes
RawMeasurementResult c

DFT-VASPc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DFT_VASP

has super-classes
Atoms c, Published Physical Model c

DigitalDatac back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_4db96fb7_e9e0_466d_942b_f6f17bfdc145

Discrete data that are decoded as a sequence of 1/0, or true/false, or on/off.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
has super-classes
DiscreteData c
has sub-classes
Database c, File c, Software c

dimensional quantityc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000258

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
Quantity c
has sub-classes
time measurement c

Direct Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#DirectSolver

A Direct solver computes an exact solution to a system of equations in a finite number of steps, often used in linear algebra problems.
has super-classes
Solver c
has sub-classes
Time Dependent Direct c

DiscreteDatac back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_be8592a7_68d1_4a06_ad23_82f2b56ef926

A discrete schema may be based on a continuum material basis that is filtered according to its variations. For example, a continuous voltage based signal can be considered 1 or 0 according to some threshold. Discrete does not mean that the material basis is discrete, but that the data are encoded according to such step-based rules.
Is defined by
https://w3id.org/emmo/reference/symbolic#
Example 
A text is a collection of discrete symbols. A compact disc is designed to host discrete states in the form of pits and lands.
has sub-classes
DigitalData c, Symbolic c

documentc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000148

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
textualEntity c
has sub-classes
publication c

Effective Electronic Conductivity Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#EffectiveElectronicConductivityBoundaryCondition

has super-classes
PhaseField Boundary Condition c

Electronic Scalec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ElectronicScale

The level of representation concerned with the behavior of electrons and electronic structure, where quantum mechanics governs the system. Typical methods include density functional theory (DFT) and ab initio approaches. Approximate length scale: below 1 nm (Ångström scale).
has super-classes
Model Scale c

Electronsc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/Electrons

An elementary particle that carries a negative electric charge and is a fundamental constituent of atoms. In materials science simulations, electrons are explicitly modeled when studying electronic structure, charge transport, or quantum phenomena. Electrons are essential entities in ab initio, density functional theory (DFT), and other quantum mechanical simulations
has super-classes
Model Entity c

EmpiricalSimulationSoftwarec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_67c70dcd_2adf_4e6c_b3f8_f33dd1512487

A computational application that uses an empiric equation to predict the behaviour of a system without relying on the knowledge of the actual physical phenomena occurring in the object.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
SimulationApplication c

endDatec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000032

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

endTimec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000670

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

evidencec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001394

evidence is the body of facts or information indicating whether a belief or proposition is true or valid.
Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c

Experimentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_22522299_4091_4d1f_82a2_3890492df6db

An experiment is a process that is intended to replicate a physical phenomenon in a controlled environment.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
Process c

Filec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_998dd3a0_c85f_4c8d_9fb8_816a93cc3bb8

In computing, a computer file is a resource for recording data on a computer storage device, primarily identified by its file path.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
has super-classes
DigitalData c

Geometryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Geometry

Geometry is a branch of mathematics that deals with the study of shapes, sizes, positions, and properties of objects in space.
has sub-classes
Material Shape c

Grain Boundaryc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#GrainBoundary

A planar interface between two grains (crystallites) in a polycrystalline material, characterized by a misorientation between their crystal lattices. Grain boundaries are two-dimensional defects and play a critical role in determining material properties such as mechanical strength, diffusion, and corrosion resistance. Used in mesoscale simulations (e.g., phase-field modeling, Monte Carlo grain growth, microstructural evolution studies), and finite element analysis of polycrystalline materials. Scale: microstructural (mesoscopic to microscopic)
has super-classes
Model Entity c

hourc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000433

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, day c, century c, millennium c, minute c, second c

hypothesisc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000284

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c

ideac back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000585

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c

Image Segmentation Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ImageSegmentationResult

A place holder for Image segmentation results. The actual value of outputs will be availible later in the project.
has super-classes
Internal Input for Bester c, Internal Input for ConductoBester c

Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/InferredMeasurementResult

Inferred measurement results are those that are derived or indirectly obtained from other measured quantities or data. The inferred measurement result is estimated or calculated based on correlations, models, or relationships between measured variables rather than directly measuring the desired parameter or property.
has super-classes
Simulation Measurement Result c
has sub-classes
Bester Inferred Result c, ConductoBester Inferred Measurement Result c, DFT Inferred Measurement Result c, P3D Inferred Measurement Result c, PhaseField Inferred Measurement Result c, ResistorNetwork Inferred Measurement Result c

Information Content Entityc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000015

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
Object c
has sub-classes
language Entity c

Initial Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InitialCondition

An initial condition is a specific type of mathematical condition that defines the state or values of a system at the starting point of a simulation.
has super-classes
Input for Simulation c, Mathematical Condition c

Input for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForBester

has super-classes
Input for NVP/C c
has sub-classes
Internal Input for Bester c

Input for ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForConductoBester

has super-classes
Input for NVP/C c
has sub-classes
Input for Effective Electronic Conductivity Calculation c, Input for Tortuosity Calculation c, Internal Input for ConductoBester c

Input for DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForDFT

has super-classes
Input for NVP/C c

Input for Effective Electronic Conductivity Calculationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForEffectiveElectronicConductivityCalculation

has super-classes
Input for ConductoBester c

Input for Effective Electronic Conductivity Measurementc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForEffectiveElectronicConductivityMeasurement

has super-classes
Input For PhaseField c

Input for NVP/Cc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForNVPC

Input for NVP/C refers to the parameters, data or variables that are provided to the simulation model to depict the conditions, characteristics, or behaviors of the system being simulated in NVP/C project
has super-classes
Input for Simulation c
has sub-classes
Input For PhaseField c, Input For Resistor Network c, Input for Bester c, Input for ConductoBester c, Input for DFT c, Input for P3D c

Input For OCV Measurementc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForOCVMeasurement

has super-classes
Input For PhaseField c
has sub-classes
Internal Input For PhaseField c

Input for P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForP3D

has super-classes
Input for NVP/C c
has sub-classes
Internal Input for P3D c

Input For PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForPhaseField

has super-classes
Input for NVP/C c
has sub-classes
Input For OCV Measurement c, Input for Effective Electronic Conductivity Measurement c, Input for Specific Area Measurement c, Input for Tortuosity Measurement c

Input For Resistor Networkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForResistorNetwork

has super-classes
Input for NVP/C c
has sub-classes
Conductivity of Pure Material c, Internal Input for ResistorNetwork c

Input for Simulationc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/InputForSimulation

Input for simulation refers to the parameters, data or variables that are provided to the simulation model to depict the conditions, characteristics, or behaviors of the system being simulated.
has super-classes
Intentional Process Input c
has sub-classes
Boundary Condition c, Initial Condition c, Input for NVP/C c, Parameter for Solver c

Input for Specific Area Measurementc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForSpecificAreaMeasurement

has super-classes
Input For PhaseField c

Input for Tortuosity Calculationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForTortuosityCalculation

has super-classes
Input for ConductoBester c

Input for Tortuosity Measurementc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InputForTortuosityMeasurement

has super-classes
Input For PhaseField c

Intentional Process Inputc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/IntentionalProcessInput

Raw materials, energy, labor, tools, data, and other elements that are required for the process to start and move closer to its goal are all examples of inputs.
The resources, materials, or information needed to start or complete a process are referred to as inputs in the context of a process.
has sub-classes
Input for Simulation c

IntentionalAgencyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_bafc17b5_9be4_4823_8bbe_ab4e90b6738c

A process occurring with the active participation of an intentional agent that drives the process according to a specific objective (intention).
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Agency c
has sub-classes
IntentionalAgencyByKind c, Procedure c, Service c, TechnologyProcess c

IntentionalAgencyByKindc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8af3b008_0e32_4684_85ab_a52a8e7b6877

Categorisation of intentional agencies by their kind.
Is defined by
https://w3id.org/emmo/reference/agency#
has super-classes
IntentionalAgency c

IntentionalAgentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_c130614a_2985_476d_a7ed_8a137847703c

An agent that is driven by the intention to reach a defined objective in driving a process.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Agent c
has sub-classes
IntentionalAgentByKind c, ProceduralAgent c

IntentionalAgentByKindc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_7a317af2_d2f7_4e8a_8fbd_aaebfb7d21cc

Categorisation of intentional agents by their kind.
Is defined by
https://w3id.org/emmo/reference/agency#
has super-classes
IntentionalAgent c

Internal Accessibilityc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalAccessibility

Internal accessibility refers to making software components, interfaces, and resources accessible and usable within the development process.
has super-classes
Access Condition c

Internal Input for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalInputForBester

The input that has been taken from the output of other methods to implement Bester model, whether on a different or the same length scale.
has super-classes
Input for Bester c
has sub-classes
Image Segmentation Result c

Internal Input for ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalInputForConductoBester

The input that has been taken from the output of other methods to implement Bester model, whether on a different or the same length scale.
has super-classes
Input for ConductoBester c
has sub-classes
Image Segmentation Result c

Internal Input for P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalInputForP3D

The input that has been taken from the output of other methods to implement Bester model, whether on a different or the same length scale.
has super-classes
Input for P3D c
has sub-classes
Micro Image Segmentation Result c

Internal Input For PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalInputForPhaseField

has super-classes
Input For OCV Measurement c

Internal Input for ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#InternalInputForResistorNetwork

The input that has been taken from the output of other methods to implement resistor network, whether on a different or the same length scale.
has super-classes
Input For Resistor Network c
has sub-classes
Micro Image Segmentation Result c

IterativeCoupledModelsSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_01354ac2_cce1_4b7d_8b4a_7322d6cb10bc

A chain of linked physics based model simulations solved iteratively, where equations are segregated.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
Coupled c

KitGranc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#KitGran

A Gitkaran solver is a simulation-specific solver used for solving partial differential equations using finite volume or similar techniques.
has super-classes
Solver c

KnownConstantc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_ae15fb4f_8e4d_41de_a0f9_3997f89ba6a2

A variable that stand for a well known numerical constant (a known number).
Is defined by
https://w3id.org/emmo/disciplines/math#
Example 
π refers to the constant number ~3.14
has super-classes
Constant c, Numerical c

labelc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000179

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
term c
has sub-classes
name c

Languagec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d8d2144e_5c8d_455d_a643_5caf4d8d9df8

A language object is a discrete data entity respecting specific language syntactic rules (a well-formed formula).
Is defined by
https://w3id.org/emmo/reference/symbolic#
has super-classes
Symbolic c
has sub-classes
Mathematical c

language Entityc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000078

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
Information Content Entity c
has sub-classes
description c, term c, textualEntity c

LinkedModelsSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_ec502e30_b9ec_4216_90c6_f67d2df75627

A chain of linked physics based model simulations, where equations are solved sequentially.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
MultiSimulation c
has sub-classes
NVP/C Mutiscale Simulation Chain c

Macro Scalec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MacroScale

The continuum level of representation, where materials and systems are modeled as homogeneous media with averaged properties. Focuses on bulk properties and engineering behavior, not atomic detail. Typical methods include continuum mechanics, CFD, and large-scale finite element simulations. Approximate length scale: above 1 mm.
has super-classes
Model Scale c

Material Entityc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MaterialEntity

A simulation-relevant abstraction that refers to a material substance considered within the scope of a simulation task. This class includes materials selected for modeling, defined by their properties, but not necessarily instantiated as physical samples.
has super-classes
Simulation Entity c
has sub-classes
Considered Material for Simulation c

Material Shapec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MaterialShape

An ontological category that classifies the external form or morphology of a material according to its characteristic geometric dimensionality. MaterialShape is subdivided into 0D, 1D, 2D, and 3D geometries, which serve as organizing categories for more specific shape types such as spheres, rods, films, or bulk structures.
has super-classes
Geometry c
has sub-classes
0D Geometry c, 1D Geometry c, 2D Geometry c, 3D Geometry c

MaterialRelationComputationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_084b4f77_6df7_4c6a_b705_2528aba5cdda

Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
PhysicsMathematicalComputation c

Mathematicalc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_54ee6b5e_5261_44a8_86eb_5717e7fdb9d0

A mathematical object in this branch is not representing a concept but an actual graphical object built using mathematcal symbols arranged in some way, according to math conventions.
Is defined by
https://w3id.org/emmo/disciplines/math#
has super-classes
Language c
has sub-classes
Numerical c, Variable c

Mathematical Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MathematicalCondition

It is a broad concept that can encompass a wide range of mathematical expressions or equations used to represent relationships, constraints, or rules within a system.
A "mathematical condition" refers to a statement or equation that describes a mathematical relationship or constraint within a system.
has sub-classes
Boundary Condition c, Initial Condition c, Stability Criteria c

Mathematical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MathematicalModel

A mathematical model is a representation of a system or phenomenon using mathematical equations, formulas, or algorithms.
has super-classes
Model c
has sub-classes
Published Mathematical Model c, Unpublished Mathematical Model c

MeasuredPropertyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_873b0ab3_88e6_4054_b901_5531e01f14a4

A quantity that is the result of a well-defined measurement procedure.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
has super-classes
ObjectiveProperty c

Measurementc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_463bcfda_867b_41d9_a967_211d4d437cfb

A measurement always implies a causal interaction between the object and the observer.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
has super-classes
Procedure c

Methodc back to ToC or Class ToC

IRI: http://w3id.org/nfdi4ing/metadata4ing#Method

Abstract description of a method for analysis, generation and transformation of data and material objects like, e.g., 'Fourier Transform Infrared Spectroscopy' or 'Molecular Dynamics Simulation'. Note that while values for relevant parameters should be provided, m4i:Method does not refer to the actual execution of the process that is described (use m4i:ProcessingStep for that), but rather a description of the underlying principle.
has super-classes
RealizableEntity c

MetrologicalUncertaintyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_847724b7_acef_490e_9f0d_67da967f2812

In general, for a given set of information, it is understood that the measurement uncertainty is associated with a stated quantity value. A modification of this value results in a modification of the associated uncertainty.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
Example 
- Standard deviation
- Half-width of an interval with a stated coverage probability
has super-classes
ObjectiveProperty c

Micro ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MicroConductoBester

has super-classes
Micro Scale c, Published Physical Model c

Micro Image Segmentation Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MicroImageSegmentationResult

A placeholder for Image segmentation results
has super-classes
Internal Input for P3D c, Internal Input for ResistorNetwork c

Micro Scalec back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/MicroScale

The level of representation where material behavior is modeled at the scale of microstructures such as grains, dislocations, or inclusions. Typical methods include crystal plasticity, phase-field modeling, and finite element approaches. Approximate length scale: 1 μm – 1 mm.
has super-classes
Model Scale c
has sub-classes
Bester c, Micro ConductoBester c, P3D c, ResistorNetwork c

millenniumc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000432

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, day c, century c, hour c, minute c, second c

minutec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000434

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, day c, century c, millennium c, hour c, second c

Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Model

In the context of simulation, a model serves as a computational or mathematical representation of the system being studied.
A model is a representation or abstraction of a real-world system, phenomenon, or process that is designed to mimic or simulate its behavior and characteristics.
has super-classes
Simulation Component c
has sub-classes
Mathematical Model c, Numerical Model c, Physical Model c

Model Entityc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/ModelEntity

has super-classes
Simulation Entity c
has sub-classes
Atoms c, Continuum Material c, Electrons c, Grain Boundary c, Molecules c

Model Scalec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ModelScale

ModelScale enables consistent annotation of the simulation context, helping users and systems to understand whether a model addresses atomic, nanoscale, mesoscale, microscale, or macroscale phenomena.
ModelScale is a class that represents the scale or level of detail at which a material is modeled or analyzed. It classifies modeling approaches based on the size or granularity of the features being resolved, ranging from atomic to macroscopic dimensions.
has super-classes
Simulation Entity c
has sub-classes
Atomistic Scale c, Electronic Scale c, Macro Scale c, Micro Scale c, Nano Scale c

ModelledPropertyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d0200cf1_e4f4_45ae_873f_b9359daea3cd

A quantity obtained from a well-defined modelling procedure.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
has super-classes
ObjectiveProperty c
has sub-classes
Simulation Measurement Result c

Moleculesc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Molecules

A group of atoms chemically bonded together, forming a stable entity that is typically treated as a single unit in simulations. Molecules are the fundamental building blocks for studying chemical reactions, material properties, and biological interactions. Used in molecular modeling, reaction dynamics, drug design, coarse-grained simulations, and computational chemistry. Scale: nano (molecular) scale; in some cases, molecular assemblies or aggregates may be considered at the micro scale.
has super-classes
Model Entity c

MonteCarlo Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#MonteCarloSolver

A Monte Carlo solver implements stochastic algorithms to solve problems by statistical sampling and random processes.
has super-classes
Solver c

monthc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000429

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, day c, century c, millennium c, hour c, minute c, second c

MultiSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_7d56ec24_499d_487a_af7d_a91aaa787bfe

A physics based simulation with multiple physics based models.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
PhysicsBasedSimulation c
has sub-classes
Coupled c, LinkedModelsSimulation c

namec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000116

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
label c

Nano ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NanoConductoBester

has super-classes
Nano Scale c, Published Physical Model c

Nano Scalec back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/NanoScale

The level of representation where systems are described at nanometer dimensions, bridging atomistic and continuum descriptions. Typical phenomena include nanoparticle behavior and nanoscale interfaces. Approximate length scale: 1–100 nm. Used in DFT, ab initio, and nanoparticle simulations
has super-classes
Model Scale c
has sub-classes
Nano ConductoBester c, Phase Field Model c

NaturalProcessc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_135ab8ea_e028_439e_be64_3e0f9734ea2b

A process occurring by natural (non-intentional) laws.
Is defined by
https://w3id.org/emmo/reference/persholistic#
has super-classes
Process c

NonAgentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_f1027c92_b145_48c7_aa42_3d831a6f2039

A participant that does not have an active role in driving the process.
Is defined by
https://w3id.org/emmo/reference/agency#
has super-classes
ParticipantByAgency c

Numberc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_21f56795_ee72_4858_b571_11cfaa59c1a8

A number individual provides the link between the ontology and the actual data, through the data property hasNumericalValue.
Is defined by
https://w3id.org/emmo/disciplines/math#
has super-classes
Numerical c

Numericalc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_4ce76d7f_03f8_45b6_9003_90052a79bfaa

A 'Mathematical' that has no unknown value, i.e. all its 'Variable"-s parts refers to a 'Number' (for scalars that have a built-in datatype) or to another 'Numerical' (for complex numerical data structures that should rely on external implementations).
Is defined by
https://w3id.org/emmo/disciplines/math#
has super-classes
Mathematical c
has sub-classes
KnownConstant c, Number c

Numerical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NumericalModel

A numerical model is a mathematical representation of a system whose behavior is approximated using numerical methods and computational techniques.
has super-classes
Model c
has sub-classes
Published Numerical Model c, UnPublished Numerical Model c

Numerical Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NumericalSolver

A Numerical solver applies numerical methods to approximate solutions to mathematical models or equations in simulations.
has super-classes
Solver c
has sub-classes
Bester Solver c, Conducto Bester c, Numerical Solver For D F T c, Numerical Solver For Phase Field c

Numerical Solver For D F Tc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NumericalSolverForDFT

has super-classes
Numerical Solver c

Numerical Solver For Phase Fieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NumericalSolverForPhaseField

has super-classes
Numerical Solver c

NumericalVariablec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_9e029526_79a2_47a8_a151_dd0545db471b

A variable standing for a numerical defined mathematical object like e.g. a number, a vector of numbers, a matrix of numbers.
Is defined by
https://w3id.org/emmo/disciplines/math#
has super-classes
Variable c
has sub-classes
Constant c, Parameter c, Unknown c

NVP/C Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NVPCBoundaryCondition

These are the rules or specifications applied to the simulation model's edges or boundaries. A model's interactions with the outside world or with other parts of the system are determined by these parameters.
Example 
1. In fluid dynamics simulations, a SimulationModelBoundaryCondition might specify how fluid flows into or out of the simulated space.
2. In structural analysis, it could define how forces are applied to the edges of a simulated object
has super-classes
Boundary Condition c
has sub-classes
Bester Boundary Condition c, ConductoBester Boundary Condition c, DFT Boundary Condition c, P3D Micro Boundary Condition c, PhaseField Boundary Condition c, ResistorNetwork Boundary Condition c

NVP/C Mutiscale Simulation Chainc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NVP/CMutiscaleSimulationChain

has super-classes
LinkedModelsSimulation c

NVP/C Projectc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NVP/CProject

has super-classes
Work Package X.4 c

NVP/C Research Taskc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#NVP/CResearchTask

has super-classes
Research Task c

Objectc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000776

Is defined by
http://semanticscience.org/ontology/sio.owl
has sub-classes
Information Content Entity c

Objectc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_90ae56e4_d197_49b6_be1a_0049e4756606

An item can be classified as an object according to a type ϕ (a ϕ-object) if it's a ϕ all its temporal item parts are also of type ϕ. This conceptualisation tries to catch the persistency of type in the temporal parts of an entity.
Is defined by
https://w3id.org/emmo/reference/workflow#
Example 
If ϕ is the class of human beings, then the 4D entity representing a lifetime from birth to death in senile age is an object. if ϕ is the class of underages, the 4D entity representing the same lifetime is a process, since the underage covers only a part of the lifetime.
Practically speaking, the Object class can be populated by primitive subclasses (e.g. Car) for each of which holds the axiom that all the item parts are of the same type of the whole (e.g. Car SubClassOf hasTemporalItemPart only Car).
The intended usage is not for an individual to belong directly to Object, but to belong to a specific subclass of Object that identifies entities with a type-persistent structure.
has super-classes
Persistence c
has sub-classes
ObjectByContext c

ObjectByContextc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_9d799b43_e188_4047_8167_121d96b31a26

The superclass for all classes that categorise objects according to their mereological and persistence context
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Object c
has sub-classes
Constituent c, Participant c, Status c, SubObject c

objectivec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000337

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c
has sub-classes
Task Objective c

Objectivec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_2a888cdf_ec4a_4ec5_af1c_0343372fc978

A coded conventional that is determined by each interpeter following a well defined determination procedure through a specific perception channel.
Is defined by
https://w3id.org/emmo/perspectives/semiotics#
has sub-classes
ObjectiveProperty c

ObjectivePropertyc back to ToC or Class ToC

IRI: http://emmo.info/emmo#EMMO_2a888cdf_ec4a_4ec5_af1c_0343372fc978

The word objective does not mean that each observation will provide the same results. It means that the observation followed a well defined procedure.

ObjectivePropertyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_dd4a7f3e_ef56_466c_ac1a_d2716b5f87ec

A quantity that is obtained from a well-defined procedure.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
has super-classes
Objective c, QuantityBySubjectivity c
has sub-classes
ConventionalProperty c, MeasuredProperty c, MetrologicalUncertainty c, ModelledProperty c

OCV Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#OCVBoundaryCondition

has super-classes
PhaseField Boundary Condition c

OCV Measurement Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#OCVMeasurementValidation

has super-classes
PhaseField Model Validation c

Open Sourcec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#OpenSource

Open source accessibility refers to making software projects and resources openly accessible to the broader community.
has super-classes
Access Condition c

Optimization Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#OptimizationSolver

An Optimization solver is designed to find the best solution from a set of feasible options by maximizing or minimizing an objective function.
has super-classes
Solver c

Organizationc back to ToC or Class ToC

IRI: http://www.w3.org/ns/prov#Organization

An organization is a social or legal institution such as a company, society, etc.
Is defined by
http://www.w3.org/ns/prov-o#
has super-classes
Agent c
has sub-classes
Research Group c

P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#P3D

has super-classes
Micro Scale c, Published Physical Model c

P3D Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#P3DInferredMeasurementResult

has super-classes
Inferred Measurement Result c

P3D Micro Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#P3DMicroBoundaryCondition

has super-classes
NVP/C Boundary Condition c

P3D Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#P3DModelValidation

has super-classes
Simulation Model Validation c

P3D Raw Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#P3DRawMeasurementResult

has super-classes
RawMeasurementResult c

Parameterc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d1d436e7_72fc_49cd_863b_7bfb4ba5276a

A variable whose value is assumed to be known independently from the equation, but whose value is not explicitated in the equation.
Is defined by
https://w3id.org/emmo/disciplines/math#
Example 
Viscosity in the Navier-Stokes equation
has super-classes
NumericalVariable c
has sub-classes
Parameter for Solver c

Parameter for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForBester

has super-classes
Parameter for Solver c

Parameter for CondoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForCondoBester

has super-classes
Parameter for Solver c

Parameter for DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForDFT

has super-classes
Parameter for Solver c

Parameter for KitGranc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForKitGran

has super-classes
Parameter for Solver c

Parameter for P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForP3D

has super-classes
Parameter for Solver c

Parameter for PACE3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForPACE3D

has super-classes
Parameter for Solver c

Parameter for PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForPhaseField

has super-classes
Parameter for Solver c

Parameter for Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ParameterForSolver

Parameters for solver refer to the variables or inputs that are provided to the solver algorithm or numerical computation method in order to perform the simulation.
has super-classes
Input for Simulation c, Parameter c
has sub-classes
Parameter for Bester c, Parameter for CondoBester c, Parameter for DFT c, Parameter for KitGran c, Parameter for P3D c, Parameter for PACE3D c, Parameter for PhaseField c

Participantc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_13191289_6c2b_4741_93e1_82d53bd0e703

An object which is a spatial part of a process.
Is defined by
https://w3id.org/emmo/reference/workflow#
Example 
A student during an examination.
has super-classes
ObjectByContext c
has sub-classes
ParticipantByAgency c, Tool c

ParticipantByAgencyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_cede9297_c60d_4487_9207_62ac963202b5

Categorisation of participant in terms of being an agent or not an agent.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Participant c
has sub-classes
Agent c, NonAgent c

Persistencec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_e04884d9_eda6_487e_93d5_7722d7eda96b

The persistence perspective classifies entities according to the persistence of temporal parts of specifc type, introducing the distiction between objects (when a type is conserved through all its time parts) or processes (where a type is not conserved through all its time parts). This perspective provides classes aimed to represent concepts similar to the ones of endurant and perdurant (a.k.a. continuant and occurrent). However, in the EMMO case, an entity is defined as an object or a process according to a specific type, and not per-se. For this reason an entity in the EMMO can be classified both object or a process depending on the reference type, due to the underlying 4D framework (e.g. an individual may belong both to the class of runners and the class of running process), and the distinction is purely representational. This categorisation has been introduced due to the large use of object/process commonsensical concepts, and the fact that our language distinguish between nouns and verbs to address things, forcing the separation between things that happens and things that persist.
Is defined by
https://w3id.org/emmo/reference/workflow#
has sub-classes
Object c, Process c, Product c

Personc back to ToC or Class ToC

IRI: http://www.w3.org/ns/prov#Person

Person agents are people.
Is defined by
http://www.w3.org/ns/prov-o#
has super-classes
Agent c

Phase Field Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhaseFieldModel

has super-classes
Nano Scale c, Published Physical Model c

PhaseField Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhaseFieldBoundaryCondition

has super-classes
NVP/C Boundary Condition c
has sub-classes
Effective Electronic Conductivity Boundary Condition c, OCV Boundary Condition c, Tortuosity Boundary Condition c

PhaseField Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhaseFieldInferredMeasurementResult

has super-classes
Inferred Measurement Result c

PhaseField Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhaseFieldModelValidation

has super-classes
Simulation Model Validation c
has sub-classes
OCV Measurement Validation c

PhaseField Raw Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhaseFieldRawMeasurementResult

has super-classes
RawMeasurementResult c

Physical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PhysicalModel

It involves creating a physical replica or simulation of the system to observe and analyze its behavior under controlled conditions.
The term "physical model" refers to an object, prototype, or scaled-down replica that depicts a system or phenomenon.
has super-classes
Model c
has sub-classes
Published Physical Model c, Unpublished Physical Model c

PhysicalBasedSimulationSoftwarec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8d4962d7_9608_44f7_a2f1_82a4bb173f4a

A computational application that uses a physical model to predict the behaviour of a system, providing a identifiable analogy with the original object.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
SimulationApplication c
has sub-classes
Software for Solver c

PhysicsBasedSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_e97af6ec_4371_4bbc_8936_34b76e33302f

A simulation that relies on physics based models, according to the Review of Materials Modelling and CWA 17284:2018.
Is defined by
https://w3id.org/emmo/disciplines/models#
CEN Workshop Agreement – CWA 17284 “Materials modelling – terminology, classification and metadata”
has super-classes
Simulation c
has sub-classes
MultiSimulation c, StandaloneModelSimulation c

PhysicsMathematicalComputationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_5dd63d84_57f5_4b79_b760_fe940c06680d

A functional icon that imitates the behaviour of the object through mathematical evaluations of some mathematical construct.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
Computation c
has sub-classes
MaterialRelationComputation c

POLISc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#POLIS

The Cluster of Excellence POLiS develops the necessary new battery materials and technology concepts for efficient and sustainable storage of electrical energy.
Post Lithium storage cluster of excellence
has super-classes
ResearchProject c
has sub-classes
Research Unit A c, Research Unit B c, Research Unit C c, Research Unit D c, Research Unit X c

Post Processorc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostProcessor

A tool or process that analyzes and visualizes raw simulation data, transforming it into meaningful results like graphs, summaries, or insights to aid interpretation and decision-making.
has super-classes
Tool c
has sub-classes
Post Processor for ConductoBester c, Post Processor for DFT c, Post Processor for P3D c, Post Processor for PhaseField c, Post Processor for ResistorNetwork c, Tool for Bester c

Post Processor for ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostprocessorForConductoBester

has super-classes
Post Processor c

Post Processor for DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostprocessorForDFT

has super-classes
Post Processor c

Post Processor for P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostprocessorForP3D

has super-classes
Post Processor c

Post Processor for PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostprocessorForPhaseField

has super-classes
Post Processor c

Post Processor for ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PostProcessorForResistorNetwork

has super-classes
Post Processor c

ProceduralAgentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8cf62c94_ae5f_4f80_8669_d5f91178db6d

An intentional agent that drives a process according to some existing formalised operative rules.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
IntentionalAgent c

Procedurec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_472a0ca2_58bf_4618_b561_6fe68bd9fd49

A procedure can be considered as an intentional process with a plan.
Is defined by
https://w3id.org/emmo/reference/workflow#
Example 
The process in which a control unit of a CPU (the agent) orchestrates some cached binary data according to a list of instructions (e.g. a program).
The process in which a librarian order books alphabetically on a shelf.
The execution of an algorithm.
has super-classes
IntentionalAgency c
has sub-classes
Computation c, Measurement c, Task c, Workflow c

Processc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_43e9a05d_98af_41b4_92f6_00f79a09bfce

A process can be defined only according to an entity type. The minimum process is an entity made of two entities of different types that are temporally related.
Is defined by
https://w3id.org/emmo/reference/workflow#
Example 
Practically speaking, the Process class can be populated by primitive subclasses (e.g. Cooking) for each of which holds the axiom that not all the item temporal parts are of the same type of the whole (e.g. breaking an egg, which is not necessarily a cooking process) and there are at least two temporal item parts of different types (e.g. breaking and egg and turning on the stove).
The intended usage is not for an individual to belong directly to Process, but to belong to a specific subclass of Process that identifies entities with a specific non-type-persistent structure.
has super-classes
Persistence c
has sub-classes
Experiment c, NaturalProcess c, ProcessByAgency c, ProcessByContext c, Theorisation c

ProcessByAgencyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_f53f45f2_c354_417c_a904_a2606ad584d7

Categorisation of processes by whether they are driven by an agent or not.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Process c
has sub-classes
Agency c, SpontaneousProcess c

ProcessByContextc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_846b637b_7b12_47a1_9430_0274b2f588ac

The superclass for all classes that categorise projects according to their mereological and persistence context
Is defined by
https://w3id.org/emmo/perspectives/persistence#
has super-classes
Process c

Productc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_82fc8506_1f84_4add_9683_abea077bd1e3

The overall lifetime of an holistic that has been the output of an intentional process.
Is defined by
https://w3id.org/emmo/disciplines/manufacturing#
has super-classes
Persistence c
has sub-classes
Service c

Programc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_65411b3d_c8d3_4111_86a9_a2ce0a64c647

A program is a sequence of instructions understandable by a computer's central processing unit (CPU) that indicates which operations the computer should perform on a set of data.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
is equivalent to
ApplicationProgram c or SystemProgram c
has super-classes
Software c
has sub-classes
ApplicationProgram c, SystemProgram c

Projectc back to ToC or Class ToC

IRI: https://schema.org/Project

An enterprise (potentially individual but typically collaborative), planned to achieve a particular aim
editorial note
changed by m4i: added German definition, added language tag to English definition, shortened definition
changed by m4i: use of skos:prefLabel instead of rdfs:label, added German label, added language tag to English label
has sub-classes
ResearchProject c

propositionc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000256

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
description c
has sub-classes
comment c, evidence c, hypothesis c, idea c, objective c, statement c

publicationc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000087

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
document c
has sub-classes
Publication For Bester c, Publication For ConductoBester c, Publication For DFT c, Publication For P3D c, Publication For PhaseField c, Publication For ResistorNetwork c

Publication For Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForBester

A publication related to Bester simulation method that has been made available by a publisher.
has super-classes
publication c

Publication For ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForConductoBester

A publication related to ConductoBester simulation method that has been made available by a publisher.
has super-classes
publication c

Publication For DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForDFT

A publication related to DFT simulation method that has been made available by a publisher.
has super-classes
publication c

Publication For P3Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForP3D

A publication related to P3D simulation method that has been made available by a publisher.
has super-classes
publication c

Publication For PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForPhaseField

A publication related to P3D simulation method that has been made available by a publisher.
has super-classes
publication c

Publication For ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublicationForResistorNetwork

A publication related to Resistor Network method that has been made available by a publisher.
has super-classes
publication c

Published Mathematical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublishedMathematicalModel

A mathematical model that has been formally documented and made publicly accessible through publications or repositories.
has super-classes
Mathematical Model c

Published Numerical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublishedNumericalModel

A numerical model whose methodology, parameters, or implementation has been publicly released or documented.
has super-classes
Numerical Model c

Published Physical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#PublishedPhysicalModel

A physical model that has been described or documented in publicly available sources such as papers, reports, or catalogs.
has super-classes
Physical Model c
has sub-classes
Bester c, DFT-VASP c, Micro ConductoBester c, Nano ConductoBester c, P3D c, Phase Field Model c, ResistorNetwork c

Quantityc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000052

has sub-classes
dimensional quantity c

Quantityc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_0650c031_42b6_4f0a_b62d_d88f071da6bf

A quantifiable property of a phenomenon, body, or substance.
Is defined by
https://w3id.org/emmo/disciplines/chemistry#
Example 
length
Rockwell C hardness
electric resistance
has sub-classes
QuantityBySubjectivity c

QuantityBySubjectivityc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d9350951_5300_44e8_ae61_79fb7c53b7e7

Categorisation of quantities by whether they can be obtained fully objectively or not.
Is defined by
https://w3id.org/emmo/disciplines/metrology#
has super-classes
Quantity c
has sub-classes
ObjectiveProperty c

RawMeasurementResultc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/RawMeasurementResult

Raw measurement results serve as the basis for further analysis, processing, and interpretation.
An instrument or sensor's raw measurement result is the direct measurement or observation obtained without any further processing. It consists of raw data collected by the measuring device, typically in its most basic, unfiltered form.
has super-classes
Simulation Measurement Result c
has sub-classes
Bester Raw Result c, ConductoBester Raw Measurement Result c, DFT Raw Measurement Result c, P3D Raw Measurement Result c, PhaseField Raw Measurement Result c, ResistorNetwork Raw Measurement Result c

RealizableEntityc back to ToC or Class ToC

IRI: http://purl.obolibrary.org/obo/BFO_0000017

To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])
editorial note
changed by m4i: added german labels, added skos:prefLabel
has sub-classes
Method c

Research Groupc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchGroup

Research groups are teams within a company/institution that collaborate on research projects to advance knowledge.
has super-classes
Organization c
has sub-classes
X4 c

Research Taskc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchTask

Research tasks in simulation typically involve testing hypotheses, validating models, analyzing complex systems, or exploring specific phenomena through simulation.
The term research task refers to an investigation or objective that leads to the advancement of knowledge or understanding within a particular field.
has super-classes
Task c
has sub-classes
NVP/C Research Task c

Research Unit Ac back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchUnitA

A research unit focused on the identification, synthesis, and testing of high-capacity post-lithium electrode materials to enhance energy storage performance and deepen understanding of their functional properties.
has super-classes
POLIS c

Research Unit Bc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchUnitB

A research unit dedicated to identifying, synthesizing, and testing stable and efficient liquid or solid electrolyte systems that enable ion transport in post-lithium battery technologies.
has super-classes
POLIS c

Research Unit Cc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchUnitC

A research unit focused on understanding the formation, structure, and chemistry of interfaces in post-lithium batteries, particularly at electrode–electrolyte contacts, to assess their impact on battery performance and longevity.
has super-classes
POLIS c

Research Unit Dc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchUnitD

A research unit focused on scaling up material synthesis and cell construction, evaluating new production approaches, ensuring safety and sustainability through life cycle analysis, and advancing research data management and automated data analysis to enable cross-disciplinary insights in battery research
has super-classes
POLIS c

Research Unit Xc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResearchUnitX

A research unit investigating innovative topics like potassium batteries, organic redox systems, AI-supported virtual simulations, and degradation by integrating expertise across all other research units.
has super-classes
POLIS c
has sub-classes
Work Package X.1 c, Work Package X.2 c, Work Package X.3 c, Work Package X.4 c, Work Package X.5 c

ResearchProjectc back to ToC or Class ToC

IRI: https://schema.org/ResearchProject

A research project
editorial note
changed by m4i: added German definition, added language tag to English definition
changed by m4i: changed label to "research project" (no CamelCase)
changed by m4i: use of skos:prefLabel instead of rdfs:label, added German label, added language tag to English label
has super-classes
Project c
has sub-classes
POLIS c

Resistor Network Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResistorNetworkModelValidation

has super-classes
Simulation Model Validation c

ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResistorNetwork

has super-classes
Micro Scale c, Published Physical Model c

ResistorNetwork Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResistorNetworkBoundaryCondition

has super-classes
NVP/C Boundary Condition c

ResistorNetwork Inferred Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResistorNetworkInferredMeasurementResult

has super-classes
Inferred Measurement Result c

ResistorNetwork Raw Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ResistorNetworkRawMeasurementResult

has super-classes
RawMeasurementResult c

secondc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000435

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
year c, month c, day c, century c, millennium c, hour c, minute c

Servicec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_127594de_4802_4ad6_b09d_d05b340394dd

Is defined by
https://w3id.org/emmo/disciplines/manufacturing#
has super-classes
IntentionalAgency c, Product c

Simulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_9335cf09_431f_4613_9dab_ce4ceaca965b

A estimation of a property using a functional icon.
Is defined by
https://w3id.org/emmo/disciplines/models#
Example 
I calculate the electrical conductivity of an Ar-He plasma with the Chapman-Enskog method and use the value as property for it.
has super-classes
Computation c
has sub-classes
PhysicsBasedSimulation c

Simulation Componentc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SimulationComponent

A constituent of a simulation system.
has super-classes
Component c
has sub-classes
Algorithm c, Model c, Task c

Simulation Entityc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SimulationEntity

has sub-classes
Material Entity c, Model Entity c, Model Scale c

Simulation Measurement Resultc back to ToC or Class ToC

IRI: http://w3id.org/MUSICODE/Onto4OLAE/SimulationMeasurementResult

A Simulation Measurement Result is the output data generated by a solver during or after executing a simulation process.
has super-classes
ModelledProperty c
has sub-classes
Inferred Measurement Result c, RawMeasurementResult c

Simulation Model Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SimulationModelValidation

Simulation Model Validation is the evaluation of a simulation model's outputs to determine how accurately it represents the real-world system or phenomenon it is intended to simulate.
has super-classes
Validation c
has sub-classes
Bester Model Validation c, ConductoBester Model Validation c, DFT Model Validation c, P3D Model Validation c, PhaseField Model Validation c, Resistor Network Model Validation c

SimulationApplicationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8b66ada5_510c_44bd_a8d8_3c64d301a5e9

An application aimed to functionally reproduce an object.
Is defined by
https://w3id.org/emmo/disciplines/models#
Example 
An application that predicts the pressure drop of a fluid in a pipe segment is aimed to functionally reproduce the outcome of a measurement of pressure before and after the segment.
has super-classes
ApplicationProgram c
has sub-classes
DataBasedSimulationSoftware c, EmpiricalSimulationSoftware c, PhysicalBasedSimulationSoftware c

Softwarec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_8681074a_e225_4e38_b586_e85b0f43ce38

All or part of the programs, procedures, rules, and associated documentation of an information processing system.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
has super-classes
DigitalData c
has sub-classes
Program c, SourceCode c

Software for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForBester

has super-classes
Software for Solver c

Software for ConductoBesterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForConductoBester

has super-classes
Software for Solver c

Software for DFTc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForDFT

has super-classes
Software for Solver c

Software For P3D Microc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForP3DMicro

has super-classes
Software for Solver c

Software for PhaseFieldc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForPhaseField

has super-classes
Software for Solver c

Software for ResistorNetworkc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForResistorNetwork

has super-classes
Software for Solver c

Software for Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#SoftwareForSolver

Software for solver is a dedicated computer program or tool that facilitates the solution of simulation problems by implementing numerical algorithms, mathematical models, or optimization techniques.
has super-classes
PhysicalBasedSimulationSoftware c
has sub-classes
Software For P3D Micro c, Software for Bester c, Software for ConductoBester c, Software for DFT c, Software for PhaseField c, Software for ResistorNetwork c

SoftwareAgentc back to ToC or Class ToC

IRI: http://www.w3.org/ns/prov#SoftwareAgent

A software agent is running software.
Is defined by
http://www.w3.org/ns/prov-o#
has super-classes
Agent c

Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Solver

It takes a problem formulation, applies the algorithmic procedures, and provides a solution or approximation to the problem.
A solver is a specific implementation or realization of an algorithm tailored to address a particular problem within the context of simulation.
has super-classes
Algorithm c
has sub-classes
Direct Solver c, KitGran c, MonteCarlo Solver c, Numerical Solver c, Optimization Solver c, Time Dependent Solver c

SourceCodec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_348d39f7_6a17_49d1_9860_9b33b69b51de

A programming language entity expressing a formal detailed plan of what a software is intended to do.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
has super-classes
Software c

SpontaneousProcessc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_7c2c9869_f6b4_4e5d_8195_4578b17add3e

A process that has no identifiable agent driving its occurence.
Is defined by
https://w3id.org/emmo/reference/agency#
has super-classes
ProcessByAgency c

Stability Criteriac back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#stabilityCriteria

A stability criteria is a specific type of mathematical condition that determines the requirements under which a simulation or numerical method remains stable and produces valid results.
has super-classes
Mathematical Condition c

StandaloneModelSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d0bcf2ca_cd55_4f34_8fc2_2decc4c6087a

A standalone simulation, where a single physics equation is solved.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
PhysicsBasedSimulation c

startDatec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000031

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

startTimec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000669

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInstant c

statementc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001183

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
proposition c
has sub-classes
statement of consequence c

statement of consequencec back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001384

a statement of consequence is a statement concerning the result or effect of an action or condition.
Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
statement c

Statusc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_d9589ed2_5304_48b3_9795_11bf44e64e9b

An object which is a temporal part of a process.
Is defined by
https://w3id.org/emmo/perspectives/persistence#
Example 
A semi-naked man is a status in the process of a man's dressing.
has super-classes
ObjectByContext c

SubObjectc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_2553c342_fc28_47d8_8e19_7a98fa08f150

An object which is a temporal part of another object.
Is defined by
https://w3id.org/emmo/perspectives/persistence#
Example 
If an inhabited house is considered as an house that is occupied by some people in its majority of time, then an interval of inhabited house in which occasionally nobody is in there is no more an inhabited house, but an unhinabited house, since this temporal part does not satisfy the criteria of the whole.
has super-classes
ObjectByContext c

Symbolicc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_057e7d57_aff0_49de_911a_8861d85cef40

A discrete data whose elements can be decoded as tokens from one or more alphabets, without necessarily respecting syntactic rules.
Is defined by
https://w3id.org/emmo/reference/symbolic#
Example 
fe780
emmo
!5*a
cat
for(i=0;i<N;++i)
has super-classes
DiscreteData c
has sub-classes
Language c

SystemProgramc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_58b17cac_3125_4486_9b9c_8c45ac254040

System program refers to operating systems and utility programs that manage computer resources at a low level enabling a computer to function.
Is defined by
https://w3id.org/emmo/disciplines/computerscience#
Example 
An operating system. A graphic driver.
has super-classes
Program c

Taskc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Task

The term task refers to an activity or assignment requiring effort and undertaken to reach a specific outcome within a specific domain or context.
has super-classes
Simulation Component c
has sub-classes
Research Task c, Use Case c

Taskc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_4299e344_a321_4ef2_a744_bacfcce80afc

A procedure that is an hoilistic part of a workflow.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Procedure c

Task Objectivec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#TaskObjective

A specific, measurable goal or outcome that is associated with a particular task or mission.
has super-classes
objective c

TechnologyProcessc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_2b9cbfb5_dbd0_4a68_9c6f_acc41b40dd72

Class that includes the application of scientific knowledge, tools and techniques in order to transform a precursor object (ex. conversion of material) following a practic purpose.
Is defined by
https://w3id.org/emmo/disciplines/manufacturing#
has super-classes
IntentionalAgency c

termc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000275

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
language Entity c
has sub-classes
label c

textualEntityc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000651

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
language Entity c
has sub-classes
document c

Theorisationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_6c739b1a_a774_4416_bb31_1961486fa9ed

The 'semiosis' process of interpreting a 'physical' and provide a complec sign, 'theory' that stands for it and explain it to another interpreter.
Is defined by
https://w3id.org/emmo/disciplines/models#
has super-classes
Process c

TightlyCoupledModelsSimulationc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_fbcc3aad_c58a_4185_bcc9_859db779b226

A simulation in which more than one model are solved together with a coupled method.
Is defined by
https://w3id.org/emmo/disciplines/models#
Example 
Solving within the same linear system the discretised form of the pressure and momentum equation for a fluid, using the ideal gas law as material relation for connecting pressure to density.
has super-classes
Coupled c

Time Dependent Directc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#TimeDependentDirect

A Time Dependent Direct Solver combines time integration with direct methods to solve simulation problems that evolve over time.
has super-classes
Direct Solver c, Time Dependent Solver c
has sub-classes
BDF+PARDISO+Automatic c

Time Dependent Solverc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#TimeDependentSolver

A Time-dependent solver handles simulations where the model evolves over time, solving equations iteratively at each time step.
has super-classes
Solver c
has sub-classes
Time Dependent Direct c

time measurementc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000391

Is defined by
http://semanticscience.org/ontology/sio.owl
Example 
the duration of my life; the duration of a surgical procedure, the moment of death
has super-classes
dimensional quantity c
has sub-classes
timeInstant c, timeInterval c

timeInstantc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000418

Is defined by
http://semanticscience.org/ontology/sio.owl
Example 
at this moment; the moment at which a finger is detached in an industrial accident; the moment at which a child is born; the moment of death
has super-classes
time measurement c
has sub-classes
dateOfDatabaseSubmission c, dateOfIssue c, endDate c, endTime c, startDate c, startTime c

timeIntervalc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000417

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
time measurement c
has sub-classes
century c, day c, hour c, millennium c, minute c, month c, second c, week c, year c

Toolc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_5c68497d_2544_4cd4_897b_1ea783c9f6fe

An object that enables or facilitate an agent in the execution of a process that modifies the surrounding environment.
Is defined by
https://w3id.org/emmo/disciplines/manufacturing#
has super-classes
Participant c
has sub-classes
Post Processor c

Tool for Besterc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#ToolForBester

has super-classes
Post Processor c

Tortuosity Boundary Conditionc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#TortuosityBoundaryCondition

has super-classes
PhaseField Boundary Condition c

UnintentionalAgencyc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_b91749cd_0dec_43d1_8f77_e266c762bccd

A process that does not have an active participation of an intentional agent driving it.
Is defined by
https://w3id.org/emmo/reference/agency#
has super-classes
Agency c

UnintentionalAgentc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_fe1b173e_b3ce_403d_9d90_230a334eebf9

An agent that is driven by the law of physics rather than the intention to reach a defined objective.
Is defined by
https://w3id.org/emmo/reference/agency#
Example 
A catalyst.
has super-classes
Agent c

Unknownc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_fe7e56ce_118b_4243_9aad_20eb9f4f31f6

The dependent variable for which an equation has been written.
Is defined by
https://w3id.org/emmo/disciplines/math#
Example 
Velocity, for the Navier-Stokes equation.
has super-classes
NumericalVariable c

Unpublished Mathematical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#UnpublishedMathematicalModel

A mathematical model that exists internally or informally but has not been publicly disclosed or published.
has super-classes
Mathematical Model c

UnPublished Numerical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#UnPublishedNumericalModel

A numerical model that is either under development, proprietary, or not publicly accessible.
has super-classes
Numerical Model c

Unpublished Physical Modelc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#UnpublishedPhysicalModel

A physical model that is either experimental, proprietary, or otherwise not disclosed in any public medium.
has super-classes
Physical Model c

Use Casec back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#UseCase

An example of a use case simulation is when it is used to solve a particular challenge or complete a particular task.
A use case emphasizes on the practical application of simulation in real-world scenarios.
has super-classes
Task c

Validationc back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#Validation

Validation refers to the process of assessing the accuracy, reliability, or appropriateness of a model by comparing its results or behavior against reference data, standards, or expectations.
has sub-classes
Simulation Model Validation c

Variablec back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_1eed0732_e3f1_4b2c_a9c4_b4e75eeb5895

A variable is a symbolic object that stands for any other mathematical object, such as number, a vector, a matrix, a function, the argument of a function, a set, an element of a set.
Is defined by
https://w3id.org/emmo/disciplines/math#
Example 
x
k
has super-classes
Mathematical c
has sub-classes
NumericalVariable c

weekc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_001354

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c

Work Package X.1c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#WorkPackageX.1

A work package aimed at developing high-energy potassium-ion batteries by integrating expertise from multiple research units to address unique challenges such as electrolyte degradation and SEI formation, and advancing new system-specific strategies from materials synthesis to cell characterization.
has super-classes
Research Unit X c

Work Package X.2c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#WorkPackageX.2

A work package focused on designing, synthesizing, and testing novel functional organic electrode materials for post-lithium storage, including porphyrin-based and quinone-based systems, aiming to understand their storage mechanisms and optimize their electrochemical performance.
has super-classes
Research Unit X c

Work Package X.3c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#WorkPackageX.3

A work package focused on understanding, characterizing, and mitigating degradation processes in post-lithium batteries through combined experimental and theoretical approaches to extend battery performance and lifetime.
has super-classes
Research Unit X c

Work Package X.4c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#WorkPackageX.4

A work package focused on developing a multiscale, data-integrated simulation framework that couples physical and data-driven models to improve understanding and accelerate the design of efficient, sustainable, and robust post-lithium batteries.
has super-classes
Research Unit X c
has sub-classes
NVP/C Project c

Work Package X.5c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#WorkPackageX.5

A work package focused on developing advanced data analysis techniques, high-throughput simulations, and descriptor-based methods to derive structure-property relationships and enable efficient, data-driven research for post-lithium battery systems using the Kadi4Mat infrastructure.
has super-classes
Research Unit X c

Workflowc back to ToC or Class ToC

IRI: https://w3id.org/emmo#EMMO_64963ed6_39c9_4258_85e0_6466c4b5420c

A procedure that has at least two procedures (tasks) as proper parts.
Is defined by
https://w3id.org/emmo/reference/workflow#
has super-classes
Procedure c

X4c back to ToC or Class ToC

IRI: http://w3id.org/OntoMS#X4

Adressing the challenges in developing efficient, sustainable and robust Post-Lithium batteries requires a strongly coupled simulation approach comprising all length and times scales and a systematic coupling to data based simulation techniques.
has super-classes
Research Group c

yearc back to ToC or Class ToC

IRI: http://semanticscience.org/resource/SIO_000428

Is defined by
http://semanticscience.org/ontology/sio.owl
has super-classes
timeInterval c
is disjoint with
month c, day c, century c, millennium c, hour c, minute c, second c

Object Properties

defineop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#define

has super-properties
top Object Property op

determineop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#determine

Employs Toolop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#EmploysTool

has Access Conditionop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasAccessCondition

has Boundary Conditionop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasBoundaryCondition

has super-properties
top Object Property op

has Considered Materialop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasConsideredMaterial

has super-properties
top Object Property op

has Considered Material Shapeop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasConsideredMaterialShape

has super-properties
top Object Property op

has Considered Methodop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasConsideredMethod

has Considered Time Intervalop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasConsideredTimeInterval

has Corresponding Publicationop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasCorrespondingPublication

has Errorop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasError

has super-properties
top Object Property op

has Implementation Softwareop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasImplementationSoftware

has Inferred Resultsop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasInferredResults

has super-properties
top Object Property op

has Inputop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasInput

has super-properties
top Object Property op

has Model Entityop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasModelEntity

has super-properties
top Object Property op

has Model Scaleop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasModelScale

has Objectiveop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasObjective

has Parameterop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasParameter

has Participantop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasParticipant

has Resultop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasResult

has super-properties
top Object Property op

has Validationop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#hasValidation

is Assosiated Withop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#isAssosiatedWith

has super-properties
top Object Property op

is Realized Throughop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#isRealizedThrough

has super-properties
top Object Property op

is Used Byop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#isUsedBy

Part ofop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#PartOf

usesop back to ToC or Object Property ToC

IRI: http://w3id.org/OntoMS#uses

has super-properties
top Object Property op

Legend back to ToC

c: Classes
op: Object Properties

References back to ToC

Add your references here. It is recommended to have them as a list.

Acknowledgments back to ToC

The authors would like to thank Silvio Peroni for developing LODE, a Live OWL Documentation Environment, which is used for representing the Cross Referencing Section of this document and Daniel Garijo for developing Widoco, the program used to create the template used in this documentation.