OSMO: Ontology for Simulation, Modelling, and Optimization
type: Ontology
version info: version 1.7.5
modified: 2020-11-19
publisher: Virtual Materials Marketplace (VIMMP) project consortium
license: GNU Lesser General Public License (LGPL) version 3
bibliographic citation: 10.1021/acs.jced.9b00739
creator: Martin Thomas Horsch (ORCID 0000-0002-9464-6739)
creator: Silvia Chiacchiera (ORCID 0000-0003-0422-7870)
creator: Michael A. Seaton (ORCID 0000-0002-4708-573X)
creator: Ilian T. Todorov (ORCID 0000-0001-7275-1784)
contributor: Gianluca Boccardo (ORCID 0000-0003-1264-8237)
contributor: Paola Carbone (ORCID 0000-0001-9927-8376)
contributor: Welchy Leite Cavalcanti
contributor: Mara Chiricotto (ORCID 0000-0003-1609-5254)
contributor: Joshua D. Elliott (ORCID 0000-0002-0729-246X)
contributor: Andreas Fiseni
contributor: Gerhard Goldbeck (ORCID 0000-0002-4181-2852)
contributor: Helge Krieg
contributor: Vladimir Lobaskin (ORCID 0000-0002-5231-0639)
contributor: Philipp Neumann
contributor: Christoph Niethammer
contributor: Peter Schiffels
contributor: Daniele Toti (ORCID 0000-0002-9668-6961)
contributor: Jadran Vrabec (ORCID 0000-0002-7947-4051)

materials model classifier
type: Class
subclass of: annotation
subclass of: Restriction
  on property: is sign for
  some values from: materials model
comment: materials model classifier, i.e., a symbol for categories of materials-model related entities, following RoMM (note: these are descriptors, not identical with the described entities)

granularity level
type: Class
subclass of: materials model classifier
one of: ELECTRONIC
one of: ATOMISTIC
one of: MESOSCOPIC
one of: CONTINUUM
comment: granularity level (from RoMM), i.e., electronic, atomistic, mesoscopic, or continuum level according to RoMM

ELECTRONIC
type: granularity level
comment: granularity level label: electronic materials modelling

ATOMISTIC
type: granularity level
comment: granularity level label: atomistic materials modelling

MESOSCOPIC
type: granularity level
comment: granularity level label: mesoscopic materials modelling

CONTINUUM
type: granularity level
comment: granularity level label: continuum materials modelling

physical equation type
type: Class
subclass of: materials model classifier
comment: physical equation type, i.e., a symbol referring to the physical equation underlying a model, mostly following RoMM (n.b., these entities are not models, they are descriptors of models)
subclass of: Restriction
  on property: has granularity level
  cardinality: 1
subclass of: Restriction
  on property: has pe type descriptor
  some values from: string
subclass of: Restriction
  on property: has pe type id
  cardinality: 1
disjoint union of: pe type electronic
disjoint union of: pe type atomistic
disjoint union of: pe type mesoscopic
disjoint union of: pe type continuum

pe type electronic
type: Class
subclass of: physical equation type
comment: electronic physical equation type, i.e., a PE type at the electronic granularity level
intersection of: physical equation type
intersection of: Restriction
  on property: has granularity level
  has value: ELECTRONIC
disjoint union of: pe type electronic qm abinitio
disjoint union of: pe type electronic manybody effective
disjoint union of: pe type electronic time dependent
disjoint union of: pe type electronic charge transport
disjoint union of: pe type electronic spin transport

pe type electronic qm abinitio
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.1: Ab-initio quantum mechanical (or first principle) model
subclass of: Restriction
  on property: has pe type id
  has value: EL.1
has mm topic: MM TOPIC 3120
has mm topic: MM TOPIC 7120
comment: RoMM model vocabulary category 1.1, OSMO PE type EL.1

pe type electronic manybody effective
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.2: Electronic many-body and/or effective Hamiltonian model
subclass of: Restriction
  on property: has pe type id
  has value: EL.2
has mm topic: MM TOPIC 3130
has mm topic: MM TOPIC 7130
comment: RoMM model vocabulary category 1.2, OSMO PE type EL.2

pe type electronic time dependent
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.3: QM model of the response to time-dependent fields
subclass of: Restriction
  on property: has pe type id
  has value: EL.3
has mm topic: MM TOPIC 3140
has mm topic: MM TOPIC 7140
comment: RoMM model vocabulary category 1.3, OSMO PE type EL.3

pe type electronic charge transport
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.4: Statistical charge transport model
subclass of: Restriction
  on property: has pe type id
  has value: EL.4
has mm topic: MM TOPIC 3150
has mm topic: MM TOPIC 7150
comment: RoMM model vocabulary category 1.4, OSMO PE type EL.4

pe type electronic spin transport
type: Class
subclass of: pe type electronic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type EL.5: Statistical electron spin transport model
subclass of: Restriction
  on property: has pe type id
  has value: EL.5
has mm topic: MM TOPIC 3160
has mm topic: MM TOPIC 7160
comment: RoMM model vocabulary category 1.5, OSMO PE type EL.5

pe type atomistic
type: Class
subclass of: physical equation type
comment: atomistic physical equation type, i.e., a PE type that at the atomistic granularity level
intersection of: physical equation type
intersection of: Restriction
  on property: has granularity level
  has value: ATOMISTIC
disjoint union of: pe type atomistic density functional
disjoint union of: pe type atomistic molecular statics
disjoint union of: pe type atomistic molecular dynamics
disjoint union of: pe type atomistic partition function
disjoint union of: pe type atomistic spin model
disjoint union of: pe type atomistic statistical transport

pe type atomistic density functional
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.1: Classical-mechanical density functional theory (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.1
has mm topic: MM TOPIC 3222
has mm topic: MM TOPIC 7222
comment: RoMM model vocabulary category 2.1, OSMO PE type A.1

pe type atomistic molecular statics
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.2: Molecular statics (atomistic), energy minimization
subclass of: Restriction
  on property: has pe type id
  has value: A.2
has mm topic: MM TOPIC 3232
has mm topic: MM TOPIC 7232
comment: RoMM model vocabulary category 2.2, OSMO PE type A.2

pe type atomistic molecular dynamics
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.3: Molecular dynamics (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.3
has mm topic: MM TOPIC 3242
has mm topic: MM TOPIC 7242
comment: RoMM model vocabulary category 2.3, OSMO PE type A.3

pe type atomistic partition function
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has pe type id
  has value: A.4
has mm topic: MM TOPIC 3252
has mm topic: MM TOPIC 7252
comment: RoMM model vocabulary category 2.4, OSMO PE type A.4

pe type atomistic spin model
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.5: Atomistic spin model
subclass of: Restriction
  on property: has pe type id
  has value: A.5
has mm topic: MM TOPIC 3262
has mm topic: MM TOPIC 7262
comment: RoMM model vocabulary category 2.5, OSMO PE type A.5

pe type atomistic statistical transport
type: Class
subclass of: pe type atomistic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type A.6: Statistical transport model (atomistic)
subclass of: Restriction
  on property: has pe type id
  has value: A.6
has mm topic: MM TOPIC 3272
has mm topic: MM TOPIC 7272
comment: RoMM model vocabulary categories 2.6 and 2.7, OSMO PE type A.6

pe type mesoscopic
type: Class
subclass of: physical equation type
comment: mesoscopic physical equation type, i.e., a PE type at the mesoscopic granularity level
intersection of: physical equation type
intersection of: Restriction
  on property: has granularity level
  has value: MESOSCOPIC
disjoint union of: pe type mesoscopic density functional
disjoint union of: pe type mesoscopic molecular statics
disjoint union of: pe type mesoscopic molecular dynamics
disjoint union of: pe type mesoscopic partition function
disjoint union of: pe type mesoscopic micromagnetism
disjoint union of: pe type mesoscopic statistical transport

pe type mesoscopic density functional
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.1: Classical-mechanical density functional theory (mesoscopic)
subclass of: Restriction
  on property: has pe type id
  has value: M.1
has mm topic: MM TOPIC 3225
has mm topic: MM TOPIC 7225
comment: RoMM model vocabulary category 3.1, OSMO PE type M.1

pe type mesoscopic molecular statics
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
subclass of: Restriction
  on property: has pe type id
  has value: M.2
has mm topic: MM TOPIC 3235
has mm topic: MM TOPIC 7235
comment: OSMO PE type M.2

pe type mesoscopic molecular dynamics
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
subclass of: Restriction
  on property: has pe type id
  has value: M.3
has mm topic: MM TOPIC 3245
has mm topic: MM TOPIC 7245
comment: RoMM model vocabulary category 3.2, OSMO PE type M.3

pe type mesoscopic partition function
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
subclass of: Restriction
  on property: has pe type id
  has value: M.4
has mm topic: MM TOPIC 3255
has mm topic: MM TOPIC 7255
comment: RoMM model vocabulary category 3.3, OSMO PE type M.4

pe type mesoscopic micromagnetism
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.5: Micromagnetism model
subclass of: Restriction
  on property: has pe type id
  has value: M.5
has mm topic: MM TOPIC 3265
has mm topic: MM TOPIC 7265
comment: RoMM model vocabulary category 3.4, OSMO PE type M.5

pe type mesoscopic statistical transport
type: Class
subclass of: pe type mesoscopic
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type M.6: Statistical transport model (mesoscopic)
subclass of: Restriction
  on property: has pe type id
  has value: M.6
has mm topic: MM TOPIC 3275
has mm topic: MM TOPIC 7275
comment: RoMM model vocabulary categories 3.5, OSMO PE type M.6

pe type continuum
type: Class
subclass of: physical equation type
comment: continuum physical equation type, i.e., a PE type that operates at the continuum granularity level
intersection of: physical equation type
intersection of: Restriction
  on property: has granularity level
  has value: CONTINUUM
disjoint union of: pe type continuum solid mechanics
disjoint union of: pe type continuum fluid mechanics
disjoint union of: pe type continuum heat transfer
disjoint union of: pe type continuum phase field
disjoint union of: pe type continuum thermodynamics
disjoint union of: pe type continuum reaction kinetics
disjoint union of: pe type continuum electromagnetism
disjoint union of: pe type continuum process model

pe type continuum solid mechanics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.1: Continuum solid mechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.1
has mm topic: MM TOPIC 3320
has mm topic: MM TOPIC 7320
comment: RoMM model vocabulary category 4.1, OSMO PE type CO.1

pe type continuum fluid mechanics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.2: Continuum fluid mechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.2
has mm topic: MM TOPIC 3330
has mm topic: MM TOPIC 7330
comment: RoMM model vocabulary category 4.2, OSMO PE type CO.2

pe type continuum heat transfer
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.3: Continuum modelling of heat transfer and thermomechanics
subclass of: Restriction
  on property: has pe type id
  has value: CO.3
has mm topic: MM TOPIC 3340
has mm topic: MM TOPIC 7340
comment: RoMM model vocabulary category 4.3, OSMO PE type CO.3

pe type continuum phase field
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.4: Phase field model or continuum density gradient theory
subclass of: Restriction
  on property: has pe type id
  has value: CO.4
has mm topic: MM TOPIC 3350
has mm topic: MM TOPIC 7350
comment: RoMM model vocabulary category 4.4.2, OSMO PE type CO.4

pe type continuum thermodynamics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.5: Continuum thermodynamics
subclass of: Restriction
  on property: has pe type id
  has value: CO.5
has mm topic: MM TOPIC 3360
has mm topic: MM TOPIC 7360
comment: RoMM model vocabulary category 4.4.1, OSMO PE type CO.5

pe type continuum reaction kinetics
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.6: Continuum modelling of chemical reaction kinetics
subclass of: Restriction
  on property: has pe type id
  has value: CO.6
has mm topic: MM TOPIC 3370
has mm topic: MM TOPIC 7370
comment: RoMM model vocabulary category 4.5, OSMO PE type CO.6

pe type continuum electromagnetism
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
subclass of: Restriction
  on property: has pe type id
  has value: CO.7
has mm topic: MM TOPIC 3380
has mm topic: MM TOPIC 7380
comment: RoMM model vocabulary category 4.6, OSMO PE type CO.7

pe type continuum process model
type: Class
subclass of: pe type continuum
subclass of: Restriction
  on property: has pe type descriptor
  has value: PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
subclass of: Restriction
  on property: has pe type id
  has value: CO.8
has mm topic: MM TOPIC 3390
has mm topic: MM TOPIC 7390
comment: RoMM model vocabulary category 4.7, OSMO PE type CO.8

workflow resource
type: Class
subclass of: marketplace related entity
disjoint with: logical term
disjoint with: logical access
disjoint with: section aspect
comment: workflow resource, i.e., a workflow entity that can be contained as a node-like element or as a subgraph by a workflow graph
disjoint union of: logical resource
disjoint union of: section
disjoint union of: workflow graph

has resource label
type: DatatypeProperty
domain: marketplace related entity
range: string
comment: label to be used, e.g., in graph representations and for other visualization purposes
sub property of: has label

virtual graph
type: Class
subclass of: workflow graph
subclass of: Restriction
  on property: is concrete
  has value: false
intersection of: workflow graph
intersection of: Restriction
  on property: is virtual
  has value: true
comment: virtual graph, i.e., a workflow graph that is variably instantiated based on workflow-dependent quantities; e.g., a virtual graph might be instantiated multiple times in parallel or sequentially, or the way in which it is instantiated might qualitatively depend on input parameters in a significant way, going beyond the conventional role of an input parameter (n.b., virtual graphs do not contain anything; instead, they are instantiated by concrete graphs that contain further elements)

contingent graph
type: Class
subclass of: virtual graph
comment: contingent graph, i.e., a virtual graph that is only present/active if one or multiple conditions are fulfilled
subclass of: Restriction
  on property: is contingent on
  some values from: condition

is contingent on
type: ObjectProperty
domain: contingent graph
range: condition
sub property of: has symbolic part of sign
comment: whenever one or several conditions are not fulfilled, a resource that is contingent on them is absent/inactive

indexed graph
type: Class
subclass of: virtual graph
comment: indexed graph, i.e., a virtual graph that is instantiated multiple times, with an index
subclass of: Restriction
  on property: has index
  cardinality: 1
subclass of: Restriction
  on property: has index value
  min cardinality: 2

has coupled instances
type: DatatypeProperty
domain: indexed graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are coupled (synchronized) with each other
sub property of: has flag

has linked instances
type: DatatypeProperty
domain: indexed graph
range: boolean
comment: indicates whether any of the multiple instantiations of this resource are sequentially linked to each other
sub property of: has flag

has index
type: ObjectProperty
domain: indexed graph
range: logical variable
sub property of: has proper part
comment: points to the logical variable/index to which multiple values are assigned

has index unit
type: ObjectProperty
type: FunctionalProperty
domain: indexed graph
range: unit
comment: unit in which the index values are given (not required; in many typical cases, the index is dimensionless)
sub property of: has annotation

has index value
type: DatatypeProperty
domain: indexed graph
range: decimal
comment: points to each of the multiple values that are given to the index
sub property of: has numerical content

section
type: Class
subclass of: workflow resource
disjoint with: section aspect
comment: section, i.e., a simulation overview, application case, model, solver, or processor (as in MODA)
disjoint union of: simulation overview
disjoint union of: application case
disjoint union of: materials model
disjoint union of: solver
disjoint union of: processor

has internal lv
type: ObjectProperty
domain: section
range: logical variable
sub property of: has symbolic part of sign
comment: points to information that plays a role within the respective OSMO/MODA section

has io format
type: ObjectProperty
domain: section
range: io format
comment: points to a format employed for I/O in the technical implementation of the respective OSMO/MODA section
sub property of: has annotation
property chain axiom: has logical io
property chain axiom: is encoded by

has logical input
type: ObjectProperty
domain: section
range: logical variable
comment: points to information that needs to be provided
sub property of: has logical io

has logical io
type: ObjectProperty
domain: section
range: logical variable
sub property of: has symbolic part of sign
comment: points to information required or produced by a OSMO/MODA section

has logical output
type: ObjectProperty
domain: section
range: logical variable
comment: points to information that is obtained as a result from the respective OSMO/MODA section
sub property of: has logical io

has physical input
type: ObjectProperty
domain: section
range: logical variable
range: material property
sub property of: has logical input
comment: points to required physical (thermodynamic or mechanical) information, which needs to be provided, e.g., from the output of another OSMO/MODA section

has internal mp
type: ObjectProperty
domain: section
range: logical variable
range: material property
sub property of: has internal lv
comment: points to physical information that plays a role within the respective OSMO/MODA section

has physical output
type: ObjectProperty
domain: section
range: logical variable
range: material property
sub property of: has logical output
comment: points to desired physical (thermodynamic or mechanical) information which is obtained as a result from the respective OSMO/MODA section

has aspect
type: ObjectProperty
domain: section
range: section aspect
comment: points to an aspect associated with the respective OSMO/MODA section
sub property of: has symbolic part of sign

applies to
type: ObjectProperty
domain: section
domain: Class
  union of: simulation overview
  union of: use case
  union of: materials model
range: workflow graph
sub property of: shares a sign with
comment: points to the workflow (sub)graph to which a particular use case or materials model applies
inverse of: considers

section aspect
type: Class
subclass of: marketplace related entity
comment: section aspect, i.e., a descriptor of an application case, model, solver, or processor that can be represented by a section
disjoint union of: simulation overview aspect
disjoint union of: application case aspect
disjoint union of: model aspect
disjoint union of: solver aspect
disjoint union of: processor aspect

has aspect text content
type: DatatypeProperty
domain: section aspect
range: string
comment: plain-text description of an aspect/subsection (as in MODA)
sub property of: has textual content

has aspect scalar content
type: DatatypeProperty
domain: section aspect
range: decimal
comment: numerical value associated with an aspect/subsection (as in MODA)
sub property of: has numerical content

has aspect object content
type: ObjectProperty
domain: section aspect
range: marketplace related entity
sub property of: mereosemiotics hp is
comment: points to an object associated with an aspect/subsection
inverse of: is aspect content of

has aspect annotation content
type: ObjectProperty
domain: section aspect
range: annotation
comment: points to an annotation object (i.e., a non-paradigmatic object) associated with an aspect/subsection
sub property of: has meta annotation
sub property of: has aspect object content

has aspect paradigmatic content
type: ObjectProperty
domain: section aspect
range: paradigmatic entity
comment: points to a paradigmatic object associated with an aspect/subsection
sub property of: has aspect object content

boundary condition
type: Class
subclass of: section aspect
comment: boundary condition, i.e., any given information that needs to be taken into account
subclass of: Restriction
  on property: has aspect object content
  some values from: condition

error statement
type: Class
subclass of: section aspect
comment: error statement, i.e., an aspect that contains an accuracy assertion
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: accuracy assertion

geometry information
type: Class
subclass of: boundary condition
comment: geometry information, i.e., geometry considered by an OSMO/MODA section

material information
type: Class
subclass of: section aspect
comment: material information, i.e., aspect related to the material considered by an OSMO/MODA section
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: material

has material information uf
type: ObjectProperty
domain: material information
range: material information uf
sub property of: has aspect annotation content
sub property of: has unit function
comment: points to the element function associated with the present material information (an OSMO/MODA section can have multiple material informations, describing different units)

method type
type: Class
subclass of: section aspect
comment: method type, i.e., type and/or name information on a method employed by an OSMO/MODA section

parameter aspect
type: Class
subclass of: section aspect
comment: parameter aspect, i.e., an aspect characterizing a parameter associated with an OSMO/MODA section
subclass of: Restriction
  on property: has aspect object content
  some values from: logical variable

section description
type: Class
subclass of: section aspect
comment: section description, i.e., any descriptive-type information concerning an OSMO/MODA section

section literature
type: Class
subclass of: section aspect
comment: section literature, i.e., a literature reference associated with an OSMO/MODA section
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: citation

software
type: Class
subclass of: section aspect
comment: software, i.e., an executable numerical artefact

temporal discretization
type: Class
subclass of: section aspect
comment: temporal discretization, i.e., temporal discretization approach conceptually underlying an OSMO/MODA section

timespan information
type: Class
subclass of: section aspect
comment: time span information, i.e., statement on the time interval considered, modelled, or represented by an OSMO/MODA section

simulation overview
type: Class
subclass of: section
subclass of: annotation
comment: simulation overview (as in MODA)
subclass of: Restriction
  on property: applies to
  all values from: simulation workflow
subclass of: Restriction
  on property: applies to
  cardinality: 1
subclass of: Restriction
  on property:
    inverse of: has simulation overview
  cardinality: 1

has simulation overview aspect
type: ObjectProperty
domain: simulation overview
range: simulation overview aspect
sub property of: has aspect
sub property of: has meta annotation
comment: points to an aspect of a simulation overview (following MODA)

has overview use case description
type: ObjectProperty
domain: simulation overview
range: overview use case description
sub property of: has simulation overview aspect
comment: MODA cover sheet, aspect 1

has overview model description
type: ObjectProperty
domain: simulation overview
range: overview model description
sub property of: has simulation overview aspect
comment: MODA cover sheet, aspect 2

has overview literature
type: ObjectProperty
domain: simulation overview
range: overview literature
sub property of: has simulation overview aspect
sub property of: has section literature
comment: MODA cover sheet, aspect 3

has overview access conditions
type: ObjectProperty
domain: simulation overview
range: overview access conditions
sub property of: has simulation overview aspect
comment: MODA cover sheet, aspect 4

has overview rationale
type: ObjectProperty
domain: simulation overview
range: overview rationale
sub property of: has simulation overview aspect
comment: MODA cover sheet, aspect 5

simulation overview aspect
type: Class
subclass of: section aspect
comment: Simulation overview aspect, i.e., an aspect of a simulation overview (as specified in the MODA cover page)

overview use case description
type: Class
subclass of: simulation overview aspect
comment: General description of the use case (MODA cover page, aspect 1), to be provided as plain-text content

overview model description
type: Class
subclass of: simulation overview aspect
comment: General description of the chain of models (MODA cover page, aspect 2), to be provided as plain-text content; n.b., the detailed workflow and specification of how exactly the models are connected should be provided in terms of OSMO/LDT workflow notation. Here, it is appropriate to provide only a summary in text form.

overview literature
type: Class
subclass of: simulation overview aspect
subclass of: section literature
comment: publication that documents data pertaining to the present simulation workflow (MODA cover page, aspect 3)

overview access conditions
type: Class
subclass of: simulation overview aspect
comment: Access conditions - MODA cover page, aspect 4: Please list whether the model and/or data are free, commercial or open source. Please list the owner and the name of the software or database (including web link if available).

overview rationale
type: Class
subclass of: simulation overview aspect
comment: Rationale - MODA cover page, aspect 5: Please give a textual rationale of why you as a modeller have chosen these models and this workflow. This should include the reason why a particular aspect of the user case is to be simulated with a particular model.

application case
type: Class
subclass of: annotation
subclass of: section
comment: application case, i.e., a scenario, point of view, or subjective or negotiated set of aims
disjoint union of: business case
disjoint union of: industrial case
disjoint union of: translation case
disjoint union of: use case

has application case aspect
type: ObjectProperty
domain: application case
range: application case aspect
sub property of: has aspect
sub property of: has meta annotation
comment: points to an application-case aspect (as in MODA or extensions of MODA)

has application case summary
type: DatatypeProperty
domain: application case
range: string
comment: plain-text summary of the application case
sub property of: has textual content

is addressed by
type: ObjectProperty
domain: application case
range: mm project
sub property of: mereosemiotics is hp ip
inverse of: addresses
comment: points to a materials modelling project that addresses the present application case

has case decision support
type: ObjectProperty
domain: application case
range: application case decision support
sub property of: has application case aspect
comment: points to information on the application decision support system

use case
type: Class
subclass of: application case
comment: use case (i.e., in MODA: 'user case')
subclass of: Restriction
  on property: has use case material
  some values from: use case material

has use case summary
type: DatatypeProperty
domain: use case
range: string
sub property of: has application case summary
comment: plain-text summary of the MODA/OSMO use case
sub property of: has textual content

has use case aspect
type: ObjectProperty
domain: use case
range: use case aspect
sub property of: has application case aspect
comment: points to a use-case aspect (as in MODA)

has use case description
type: ObjectProperty
domain: use case
range: use case description
sub property of: has use case aspect
sub property of: has section description
comment: MODA subsection 1.1

has use case material
type: ObjectProperty
domain: use case
range: use case material
sub property of: has use case aspect
sub property of: has material information
comment: MODA subsection 1.2

has use case geometry
type: ObjectProperty
domain: use case
range: use case geometry
sub property of: has use case boundary condition
sub property of: has geometry information
comment: MODA subsection 1.3

has use case timespan
type: ObjectProperty
domain: use case
range: use case timespan
sub property of: has use case aspect
sub property of: has timespan
comment: MODA subsection 1.4

has use case boundary condition
type: ObjectProperty
domain: use case
range: use case boundary condition
sub property of: has use case aspect
sub property of: has boundary condition
comment: MODA subsection 1.5

has use case literature
type: ObjectProperty
domain: use case
range: use case literature
sub property of: has use case aspect
sub property of: has section literature
comment: MODA subsection 1.6

has use case decision support
type: ObjectProperty
domain: use case
range: use case decision support
sub property of: has use case aspect
sub property of: has case decision support
comment: points to information on the use-case decision support system (UDSS)

application case aspect
type: Class
subclass of: section aspect
comment: application-case aspect (similar as in MODA or extensions of MODA)
disjoint union of: bc aspect
disjoint union of: ic aspect
disjoint union of: tc aspect
disjoint union of: use case aspect

application case decision support
type: Class
subclass of: application case aspect
comment: information on the decision support system
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: application decision support system

use case aspect
type: Class
subclass of: application case aspect
comment: use-case aspect (similar as in MODA)

use case description
type: Class
subclass of: use case aspect
subclass of: section description
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: use-case description (MODA subsection 1.1), describes aspects of a use case textually

use case material
type: Class
subclass of: use case aspect
subclass of: material information
comment: use-case material information (MODA subsection 1.2), characterizes/describes the considered material

use case geometry
type: Class
subclass of: use case boundary condition
subclass of: geometry information
comment: use-case geometry information (MODA subsection 1.3), characterizes/describes the considered system geometry

use case timespan
type: Class
subclass of: use case aspect
subclass of: timespan information
comment: use-case time span (MODA subsection 1.4), characterizes/describes the considered time interval

use case boundary condition
type: Class
subclass of: use case aspect
subclass of: boundary condition
comment: use-case boundary condition (MODA subsection 1.5), characterizes/describes a thermodynamic, spatio-temporal, or any other boundary condition

use case literature
type: Class
subclass of: use case aspect
subclass of: section literature
comment: use-case literature (MODA subsection 1.6), cites a reference that is relevant or of interest for the use case

use case decision support
type: Class
subclass of: use case aspect
subclass of: application case decision support
comment: information on the use-case decision support system (UDSS)
subclass of: Restriction
  on property: has aspect paradigmatic content
  some values from: use case decision support system

materials model
type: Class
subclass of: section
subclass of: model
comment: materials model (as in MODA)
subclass of: Restriction
  on property: has model type
  some values from: model type
subclass of: Restriction
  on property: has model granularity
  some values from: model granularity
subclass of: Restriction
  on property: has physical equation
  some values from: physical equation
subclass of: Restriction
  on property: has materials relation
  some values from: materials relation

has model aspect
type: ObjectProperty
domain: materials model
range: model aspect
sub property of: has aspect
sub property of: has model annotation
comment: points to an aspect associated with a materials model (as in MODA)

has model type
type: ObjectProperty
domain: materials model
range: model type
sub property of: has model aspect
sub property of: has method type
comment: MODA subsection 2.1

has model granularity
type: ObjectProperty
domain: materials model
range: model granularity
sub property of: has model aspect
comment: MODA subsection 2.2

has physical equation
type: ObjectProperty
domain: materials model
range: physical equation
sub property of: has materials model ge
comment: MODA subsection 2.3

has materials relation
type: ObjectProperty
domain: materials model
range: materials relation
sub property of: has materials model ge
comment: MODA subsection 2.4

has model boundary condition
type: ObjectProperty
domain: materials model
range: model boundary condition
sub property of: has model aspect
sub property of: has boundary condition
comment: MODA subsection 2.5

model aspect
type: Class
subclass of: section aspect
comment: model aspect, i.e., an aspect of a materials model

model type
type: Class
subclass of: model aspect
subclass of: method type
comment: model type (MODA subsection 2.1), characterizes/describes the model type or class or the approach to modelling that is followed
subclass of: Restriction
  on property: has aspect annotation content
  some values from: physical equation type

model granularity
type: Class
subclass of: model aspect
comment: model granularity aspect (MODA subsection 2.2), characterizes the RoMM granularity level of a model
subclass of: Restriction
  on property: has aspect annotation content
  some values from: granularity level

governing equation
type: Class
subclass of: model aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: condition
comment: governing equation (GE) as defined by RoMM, i.e., a physical equation (PE) or materials relation (MR)

physical equation
type: Class
subclass of: governing equation
comment: physical equation (PE) as defined by RoMM, cf. MODA subsection 2.3

materials relation
type: Class
subclass of: governing equation
comment: materials relation (MR) as defined by RoMM, cf. MODA subsection 2.4

model boundary condition
type: Class
subclass of: model aspect
subclass of: boundary condition
comment: model boundary condition (MODA subsection 2.5), characterizes/describes a boundary condition that is applied to the model

model error statement
type: Class
subclass of: error statement
comment: model error statement, characterizes/describes the error or uncertainty associated with a model

solver
type: Class
subclass of: section
subclass of: annotation
comment: solver (as in MODA)
subclass of: Restriction
  on property: has solver method type
  some values from: solver method type
subclass of: Restriction
  on property: has solver software
  some values from: solver software

has solver aspect
type: ObjectProperty
domain: solver
range: solver aspect
sub property of: has aspect
sub property of: has meta annotation
comment: points to an aspect associated with a solver

has solver method type
type: ObjectProperty
domain: solver
range: solver method type
sub property of: has solver aspect
sub property of: has method type
comment: MODA subsection 3.1

has solver software
type: ObjectProperty
domain: solver
range: solver software
sub property of: has solver aspect
sub property of: has employed software
comment: MODA subsection 3.2

has solver timestep
type: ObjectProperty
domain: solver
range: solver timestep
sub property of: has solver aspect
sub property of: has temporal discretization
comment: MODA subsection 3.3

has computational representation
type: ObjectProperty
domain: solver
range: computational representation
sub property of: has solver aspect
comment: MODA subsection 3.4

has solver boundary condition
type: ObjectProperty
domain: solver
range: solver boundary condition
sub property of: has solver aspect
sub property of: has boundary condition
comment: MODA subsection 3.5

has solver parameter
type: ObjectProperty
domain: solver
range: solver parameter
sub property of: has solver aspect
sub property of: has section parameter
comment: MODA subsection 3.6

solver aspect
type: Class
subclass of: section aspect
comment: MODA solver aspect, i.e., an aspect of a solver (similar to MODA)

solver method type
type: Class
subclass of: solver aspect
subclass of: method type
comment: solver method type (MODA subsection 3.1), characterizes/describes the name and type of the solver

EOS SINGLE PHASE SOLVER
type: solver method type
has aspect text content: EOS single-phase solver

EOS PHASE EQUILIBRIUM SOLVER
type: solver method type
has aspect text content: EOS phase-equilibrium solver

MOLECULAR DYNAMICS SOLVER
type: solver method type
has aspect text content: molecular dynamics solver

MONTE CARLO SOLVER
type: solver method type
has aspect text content: Monte Carlo solver

solver software
type: Class
subclass of: solver aspect
subclass of: software
comment: solver software (MODA subsection 3.2), characterizes/describes a code/package to be used as a solver
subclass of: Restriction
  on property: has aspect object content
  some values from: software tool

solver timestep
type: Class
subclass of: solver aspect
subclass of: temporal discretization
comment: solver time step (MODA subsection 3.3), numerical time step employed by the solver

computational representation
type: Class
subclass of: solver aspect
subclass of: Restriction
  on property: has aspect object content
  some values from: condition
comment: solver computational representation (MODA subsection 3.4), characterizes/describes how the solver numerically represents the model and/or the material

computational representation model
type: Class
subclass of: computational representation
comment: solver CR of the model, i.e., a computational representation of (all or part of) the governing equations of the employed materials model

computational representation pe
type: Class
subclass of: computational representation model
comment: solver CR of PE, i.e., a computational representation specifically of one or multiple physical equations (PE)

computational representation mr
type: Class
subclass of: computational representation model
comment: solver CR of MR, i.e., a computational representation specifically of one or multiple materials relations (MR)

computational representation material
type: Class
subclass of: computational representation
comment: solver CR of the material, i.e., a computational representation of the considered use case or material

computational representation hybrid
type: Class
subclass of: computational representation
comment: solver CR of the material, i.e., a computational representation that combines model and material (or use case) aspects

solver boundary condition
type: Class
subclass of: solver aspect
subclass of: boundary condition
comment: solver boundary condition (MODA subsection 3.5), characterizes/describes a computational boundary condition of a solver

solver parameter
type: Class
subclass of: solver aspect
subclass of: parameter aspect
comment: solver parameter (MODA subsection 3.6), i.e., a parameter of a solver

solver error statement
type: Class
subclass of: error statement
comment: solver error statement, characterizes/describes the error or uncertainty associated with a solver output

processor
type: Class
subclass of: section
subclass of: annotation
comment: processor (like a MODA postprocessor, however, without implying execution subsequent to a solver, which would correspond to the special case represented by the subclass osmo:postprocessor)
subclass of: Restriction
  on property: has processor method type
  some values from: processor method type
disjoint union of: preprocessor
disjoint union of: coupled processor
disjoint union of: postprocessor
disjoint union of: data processor

has processor aspect
type: ObjectProperty
domain: processor
range: processor aspect
sub property of: has aspect
sub property of: has meta annotation
comment: points to an aspect associated with a processor

has processor method type
type: ObjectProperty
domain: processor
range: processor method type
sub property of: has processor aspect
sub property of: has method type
sub property of: has meta annotation
comment: MODA subsection 4.2

has processor error statement
type: ObjectProperty
domain: processor
range: processor error statement
sub property of: has processor aspect
sub property of: has error statement
comment: MODA subsection 4.3

has processor software
type: ObjectProperty
domain: processor
range: processor software
sub property of: has processor aspect
sub property of: has employed software
comment: OSMO-only subsection 4.4, extending MODA

preprocessor
type: Class
subclass of: processor
comment: preprocessor, i.e., a processor that operates before a solver or during solver initialization

coupled processor
type: Class
subclass of: processor
comment: coupled processor, i.e., a processor that is synchronized with a solver and operates on the fly

postprocessor
type: Class
subclass of: processor
comment: postprocessor, i.e., a processor that operates subsequent to a solver or during solver finalization

data processor
type: Class
subclass of: processor
comment: data processor, i.e., a processor that is not coupled or immediately linked to a solver

processor aspect
type: Class
subclass of: section aspect
comment: processor aspect, i.e., an aspect of a processor (as in MODA)

processor method type
type: Class
subclass of: processor aspect
subclass of: method type
subclass of: Restriction
  on property: has aspect text content
  some values from: string
comment: processor method type (MODA subsection 4.2), characterizes/describes the methodology employed by a processor

preprocessor method type
type: Class
subclass of: processor method type
comment: preprocessor method type, i.e., a method type associated with a preprocessor

coupled processor method type
type: Class
subclass of: processor method type
comment: coupled processor method type, i.e., a method type associated with a coupled processor

postprocessor method type
type: Class
subclass of: processor method type
comment: postprocessor method type, i.e., a method type associated with a postprocessor

TRAJECTORY ANALYSER
type: postprocessor method type
has aspect text content: trajectory analyser, i.e., a postprocessor that analyses simulation trajectory output

data processor method type
type: Class
subclass of: processor method type
comment: data processor method type, i.e., a method type associated with a data processor

processor error statement
type: Class
subclass of: processor aspect
subclass of: error statement
comment: processor error statement (MODA subsection 4.3), characterizes/describes the error or uncertainty associated with a processor output

processor software
type: Class
subclass of: processor aspect
subclass of: software
comment: processor software (OSMO aspect 4.4, extending MODA), characterizes/describes a code/package to be used as a processor
subclass of: Restriction
  on property: has aspect object content
  some values from: software tool

workflow graph
type: Class
subclass of: workflow resource
comment: workflow graph, i.e., a model, a simulation workflow, or a composition of constituent elements and aspects thereof that can be represented in logical data transfer (LDT) notation
disjoint union of: concrete graph
disjoint union of: virtual graph

considers
type: ObjectProperty
domain: workflow graph
range: section
range: Class
  union of: simulation overview
  union of: use case
  union of: materials model
comment: points to the use case or materials model considered by a workflow (sub)graph
sub property of: shares a sign with
inverse of: applies to

considers model
type: ObjectProperty
domain: workflow graph
range: materials model
comment: points to the materials model considered by a workflow (sub)graph
sub property of: considers

considers use case
type: ObjectProperty
domain: workflow graph
range: use case
comment: points to the use case considered by a workflow (sub)graph
sub property of: considers
sub property of: has annotation

has simulation overview
type: ObjectProperty
domain: simulation workflow
range: simulation overview
comment: points to the overview of a simulation workflow
sub property of: considers
sub property of: has annotation
sub property of: mereosemiotics is hs

has subgraph
type: ObjectProperty
type: TransitiveProperty
domain: workflow graph
range: workflow graph
sub property of: has proper part
sub property of: n lnoc or roc
comment: points to a subgraph, i.e., a graph that is subordinate (to the present graph) by containment and/or instantiation

has starting point
type: ObjectProperty
domain: workflow graph
range: workflow node
comment: points to the position, or a position, where the workflow execution begins
sub property of: has subgraph
sub property of: has annotation

has terminal point
type: ObjectProperty
domain: workflow graph
range: workflow node
comment: points to the position, or a position, where the workflow execution terminates
sub property of: has subgraph
sub property of: has annotation

has cause
type: ObjectProperty
type: TransitiveProperty
domain: workflow graph
range: workflow graph
sub property of: has requirement satisfied by
inverse of: has effect
comment: [G has_cause F] means that in every execution, F needs to finish before G can begin

is coupled with
type: ObjectProperty
domain: workflow graph
range: workflow graph
sub property of: mutual requirement
comment: if [F is_coupled_with G] they must occur synchronously when a workflow that contains them is executed

is direct cause of
type: ObjectProperty
domain: workflow graph
range: workflow graph
sub property of: is linked to
sub property of: has effect
comment: if [F is direct cause of G] there is an immediate link by which G depends on the conclusion of F

is independent of
type: ObjectProperty
domain: workflow graph
range: workflow graph
sub property of: mutual independence
comment: two workflow graphs F and G are independent if they (and any of their subgraphs) are not coupled or linked to each other

is linked to
type: ObjectProperty
domain: workflow graph
range: workflow graph
sub property of: mutual requirement
comment: if [F is linked to G] they cannot be executed concurrently; one side depends on the completion of the other side

is contained within
type: ObjectProperty
type: TransitiveProperty
domain: workflow graph
range: concrete graph
inverse of: contains graph
sub property of: is proper part of
comment: [F is_contained_within G] if F is contained within graph G, e.g., as a subgraph

workflow node
type: Class
subclass of: workflow graph
subclass of: annotation
comment: workflow node, i.e., a workflow graph that contains exactly one workflow resource
subclass of: Restriction
  on property: contains logical
  max cardinality: 1
subclass of: Restriction
  on property: contains section
  max cardinality: 1

logical node
type: Class
subclass of: workflow node
comment: logical node, i.e., a workflow node that contains exactly one logical resource
subclass of: Restriction
  on property: contains logical
  cardinality: 1
subclass of: Restriction
  on property: contains section
  cardinality: 0

simulation workflow
type: Class
subclass of: workflow graph
subclass of: Restriction
  on property: is sign for
  some values from: simulation
comment: simulation workflow, i.e., a (complete) workflow graph of an actually executable simulation workflow
subclass of: Restriction
  on property: has simulation outcome
  some values from: logical node

has simulation use case name
type: DatatypeProperty
domain: simulation workflow
range: string
comment: Use-case 'name', to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')
sub property of: has name

has simulation project acronym
type: DatatypeProperty
domain: simulation workflow
range: string
comment: Project acronym, to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet ('MOdelling DAta providing a description for <user-case name> simulated in project ')
sub property of: has descriptor

has simulation data owner
type: ObjectProperty
domain: simulation workflow
range: agent
sub property of: has requirement satisfied by
comment: Data owner, information to be provided as part of an overall simulation workflow description, cf. heading of the MODA cover sheet; since conducting the simulation requires the authorization and hence 'occurrence' of a/the data owner, this relation is positioned below viprs:has_requirement_satisfied_by

has workflow diagram url
type: DatatypeProperty
domain: simulation workflow
range: anyURI
comment: URL of a diagram ('workflow picture' according to the MODA cover sheet) illustrating the simulation workflow
sub property of: has file metadata item

has simulation outcome
type: ObjectProperty
domain: workflow graph
range: logical node
comment: points to a node that contains a logical resource with (all or part of) the end outcome of the simulation workflow
sub property of: has subgraph
sub property of: has process annotation

concrete graph
type: Class
subclass of: workflow graph
subclass of: Restriction
  on property: is virtual
  has value: false
intersection of: workflow graph
intersection of: Restriction
  on property: is concrete
  has value: true
comment: concrete graph, i.e., a workflow graph that is a concrete (non-virtual) workflow resource

contains
type: ObjectProperty
domain: concrete graph
range: workflow resource
sub property of: has proper part
comment: [G contains R] if R occurs as a proper part/component of graph G

instantiates
type: ObjectProperty
domain: concrete graph
range: virtual graph
comment: use of this relation: a virtual graph can be defined by describing a concrete graph that instantiates it (e.g., a single loop iteration), i.e., which is related to the corresponding virtual graph by osmo:instantiates
sub property of: has subgraph

physical variable
type: Class
subclass of: logical variable
subclass of: material property
subclass of: paradigmatic entity
comment: physical variable, i.e., a logical variable defined in terms of a material property

unique physical constant
type: Class
subclass of: logical constant
subclass of: unique elementary
subclass of: physical variable
comment: unique physical constant, i.e., a physical variable with a unique constant value

condition
type: Class
subclass of: marketplace related entity
comment: condition, i.e., a statement concerning values of properties and/or parameters and/or their relation to each other
disjoint union of: qualitative condition
disjoint union of: quantitative condition

contains variable
type: ObjectProperty
domain: condition
range: logical variable
sub property of: has proper part
comment: points to a parameter (e.g., variable or input value) occurring in a condition

contains predetermined variable
type: ObjectProperty
domain: condition
range: logical variable
sub property of: contains variable
comment: points to a parameter that is determined before workflow execution begins, i.e., an input parameter that is not specified by the user

contains precomputed variable
type: ObjectProperty
domain: condition
range: logical variable
sub property of: contains variable
comment: points to a parameter that is computed within the workflow, but available and fixed at run time (of the element associate with the present condition), i.e., an input parameter that is not specified by the user

contains runtime variable
type: ObjectProperty
domain: condition
range: logical variable
sub property of: contains variable
comment: points to a parameter that is only determined at run time (of the element associate with the present condition) or that is varied at run time

contains undetermined variable
type: ObjectProperty
domain: condition
range: logical variable
sub property of: contains variable
comment: points to a parameter for which no value can be obtained (in an executable simulation workflow, undetermined parameters can only be present in conditions associated with elements that are never executed)

qualitative condition
type: Class
subclass of: condition
comment: qualitative condition, i.e., a condition (e.g., an inequality) that compares or connects properties and/or parameters without imposing any particular value for any of them, even if the values of all the others are given

quantitative condition
type: Class
subclass of: condition
comment: quantitative condition, i.e., a condition (e.g., an equation) that imposes a particular value for one of the considered quantities assuming that all others are given

logical resource
type: Class
subclass of: workflow resource
subclass of: annotation
comment: logical resource, i.e., a notational element of a simulation workflow to which data (i.e., logical variables) are formally written and/or from where they can be formally read

has lrid
type: DatatypeProperty
domain: logical resource
range: string
comment: points to the logical resource ID (LRID) associated with the present logical resource; n.b., this ID has technical purposes (for notational and visualization purposes, use osmo:has_logical_label)
sub property of: has label

is interactive
type: DatatypeProperty
domain: logical resource
range: boolean
comment: states whether an external entity (user interaction, or some process not represented in the workflow) has write access to this resource at execution time
sub property of: has flag

logical term
type: Class
subclass of: marketplace related entity
disjoint with: logical access
disjoint with: section aspect
comment: logical term, i.e., a logical variable or a value that can be assigned to a logical variable
disjoint union of: logical variable
disjoint union of: logical value
disjoint union of: elementary term
disjoint union of: structure term

has term index
type: DatatypeProperty
domain: logical term
range: nonNegativeInteger
comment: identifies a term by a non-negative integer number; in particular, use for array terms (numbering convention: from 0 to array size minus 1)
sub property of: has numerical identifier

elementary term
type: Class
subclass of: logical term
comment: elementary term, i.e., a logical term without any internal structure
disjoint union of: elementary logical
disjoint union of: elementary value

has term unit
type: ObjectProperty
type: FunctionalProperty
domain: elementary term
range: unit
comment: unit associated with any assigned decimal values
sub property of: has proper part

structure term
type: Class
subclass of: logical term
comment: structure term, i.e., a logical term with an internal structure
disjoint union of: logical structure
disjoint union of: structure value

has structure element
type: ObjectProperty
domain: structure term
range: logical term
sub property of: has proper part
comment: points to an element of a structure

logical value
type: Class
subclass of: logical term
subclass of: annotation
comment: logical value, i.e., an entity that can be assigned to a logical variable as its value
disjoint union of: elementary value
disjoint union of: structure value

elementary value
type: Class
subclass of: logical value
subclass of: elementary term
intersection of: logical value
intersection of: elementary term
comment: elementary value, i.e., an entity that can be assigned to an elementary logical (variable) as its value

ZERO
type: elementary value
is decimal: 0.0

ONE
type: elementary value
is decimal: 1.0

structure value
type: Class
subclass of: logical value
subclass of: structure term
intersection of: logical value
intersection of: structure term
comment: structure value, i.e., an entity that can be assigned to a logical structure as its value

logical variable
type: Class
subclass of: logical term
comment: logical variable, i.e., a term that can be exchanged by interaction with logical resources
disjoint union of: elementary logical
disjoint union of: logical structure
disjoint union of: unique logical
disjoint union of: logical collection

has value
type: ObjectProperty
domain: logical variable
range: logical value
sub property of: is sign for
comment: points to a value associated with a logical variable

has current value
type: ObjectProperty
domain: logical variable
range: logical value
sub property of: has value
comment: value associated with a logical variable at any concrete state/point in time, either explictly specified or clear from context

has default value
type: ObjectProperty
domain: logical variable
range: logical value
sub property of: has value
comment: value to be associated with a logical variable in the absence of any other overriding assertion

has initial value
type: ObjectProperty
domain: logical variable
range: logical value
sub property of: has value
comment: value associated with a logical variable in an initial state, e.g., at the start of a workflow or subworkflow execution

has final value
type: ObjectProperty
domain: logical variable
range: logical value
sub property of: has value
comment: value associated with a logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has variable index
type: DatatypeProperty
domain: logical variable
range: nonNegativeInteger
sub property of: has term index
comment: identifies a variable by a non-negative integer number; in particular, use for logical arrays (numbering convention: from 0 to array size minus 1)
sub property of: has numerical identifier

is encoded by
type: ObjectProperty
domain: logical variable
range: io format
comment: format by which the present logical variable is represented in the technical implementation of a simulation workflow
sub property of: has annotation

logical constant
type: Class
subclass of: logical variable
comment: logical constant, i.e., a logical variable with constant value
intersection of: logical variable
intersection of: Restriction
  on property: is constant
  has value: true

elementary logical
type: Class
subclass of: logical variable
subclass of: elementary term
intersection of: logical variable
intersection of: elementary term
comment: elementary logical, i.e., a logical variable that does not contain any (sub-)variables as structure elements

has elementary value
type: ObjectProperty
domain: elementary logical
range: elementary value
sub property of: has value
comment: value associated with an elementary logical variable

has final elementary value
type: ObjectProperty
domain: elementary logical
range: elementary value
sub property of: has elementary value
sub property of: has final value
comment: value associated with an elementary logical variable in a terminal state, e.g., at the end of a workflow or subworkflow execution

has variable unit
type: ObjectProperty
type: FunctionalProperty
domain: elementary logical
range: unit
comment: unit associated with any assigned decimal values
sub property of: has term unit

logical structure
type: Class
subclass of: logical variable
subclass of: structure term
intersection of: logical variable
intersection of: structure term
comment: logical structure, i.e., a logical variable that contains (sub-)variables as structure elements

logical array
type: Class
subclass of: unique structure
comment: logical array, i.e., a unique structure with indexed elements (n.b., for indexing, use has_variable_index, starting from 0)

has array element
type: ObjectProperty
domain: logical array
range: logical variable
sub property of: has structure element
comment: points to an array element

has dynamic array size
type: ObjectProperty
domain: logical array
range: unique elementary
sub property of: has symbolic part of sign
comment: points to a variable that contains the (dynamic) array size; convention: element indices run from 0 to the array size minus one

has element unit
type: ObjectProperty
type: FunctionalProperty
domain: logical array
range: unit
comment: unit in which values of array elements are given (does not apply if the array elements are logical structures)
sub property of: has annotation

has generic element
type: ObjectProperty
domain: logical array
range: logical variable
sub property of: has array element
comment: points to the generic representation of the array elements (which is the same for all index values)

has index name
type: DatatypeProperty
domain: logical array
range: string
comment: this property can be used to assign a variable name to the array index
sub property of: has name

has specific element
type: ObjectProperty
domain: logical array
range: logical variable
sub property of: has array element
comment: points to one particular array element (identified by a specific index value)

has static array size
type: DatatypeProperty
domain: logical array
range: nonNegativeInteger
comment: value that gives the array size; convention: element indices run from 0 to the array size minus one
sub property of: has numerical specifier

ZERO VECTOR 3D
type: logical array
has static array size: 3
has specific element: unique elementary
  has variable index: 0
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 1
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 2
  has elementary value: ZERO

X UNIT VECTOR 3D
type: logical array
has static array size: 3
has specific element: unique elementary
  has variable index: 0
  has elementary value: ONE
has specific element: unique elementary
  has variable index: 1
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 2
  has elementary value: ZERO

Y UNIT VECTOR 3D
type: logical array
has static array size: 3
has specific element: unique elementary
  has variable index: 0
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 1
  has elementary value: ONE
has specific element: unique elementary
  has variable index: 2
  has elementary value: ZERO

Z UNIT VECTOR 3D
type: logical array
has static array size: 3
has specific element: unique elementary
  has variable index: 0
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 1
  has elementary value: ZERO
has specific element: unique elementary
  has variable index: 2
  has elementary value: ONE

unique logical
type: Class
subclass of: logical variable
comment: logical scalar, i.e., an logical variable that can have only one value at the same time

logical collection
type: Class
subclass of: logical variable
comment: logical collection, i.e., a logical variable that can carry multiple values (e.g., representing a set, map, list, or array)

logical access
type: Class
subclass of: annotation
disjoint with: section aspect
comment: logical access, i.e., a notational process/connection by which an OSMO/MODA section accesses a logical resource
disjoint union of: logical read access
disjoint union of: logical write access

logical read access
type: Class
subclass of: logical access
comment: logical read access, i.e., a notational process/connection by which an OSMO/MODA section reads from a logical resource

logical write access
type: Class
subclass of: logical access
comment: logical write access, i.e., a notational process/connection by which an OSMO/MODA section writes to a logical resource

has cas number
type: DatatypeProperty
type: FunctionalProperty
domain: material
range: string
comment: points to the Chemical Abstracts Service Registry Number (CASRN, or CAS number) associated with a material
sub property of: has standardized reference

has ec number
type: DatatypeProperty
type: FunctionalProperty
domain: material
range: string
comment: points to the EC number (i.e., the European common market number) associated with a material
sub property of: has standardized reference

cas listed material
type: Class
subclass of: material
comment: CAS listed material, i.e., a material that has a Chemical Abstracts Service Registry Number (CASRN, or CAS number)
intersection of: material
intersection of: Restriction
  on property: has cas number
  some values from: string

ec listed material
type: Class
subclass of: material
comment: EC listed material, i.e., a material that has an EC number and is traded on the European common market
intersection of: material
intersection of: Restriction
  on property: has ec number
  some values from: string

einecs listed material
type: Class
subclass of: ec listed material
comment: EINECS listed material, i.e., an EC listed material from the European Inventory of Existing Commercial Chemical Substances (EINECS)

elincs listed material
type: Class
subclass of: ec listed material
comment: ELINCS listed material, i.e., an EC listed material from the European List of Notified Chemical Substances (ELINCS)

nlp listed material
type: Class
subclass of: ec listed material
comment: NLP listed material, i.e., an EC listed material from the No-Longer-Polymers (NLP) List

unit function
type: Class
subclass of: annotation
comment: Unit function, i.e., purpose or impact of one out of multiple coexisting units of the same or similar type
subclass of: Restriction
  on property: has uf descriptor
  some values from: string
subclass of: Restriction
  on property: refers to unit
  some values from: marketplace related entity

material information uf
type: Class
subclass of: unit function
comment: Unit function of an MI

optimization objective
type: Class
subclass of: logical variable
comment: optimization objective, i.e., a logical variable that is employed as a criterion during optimization

maximization objective
type: Class
subclass of: optimization objective
subclass of: unique elementary
comment: maximization objective, i.e., a target quantity that is to be maximized

minimization objective
type: Class
subclass of: optimization objective
subclass of: unique elementary
comment: minimization objective, i.e., a target quantity that is to be minimized

decision support system
type: Class
subclass of: data infrastructure
subclass of: software infrastructure
comment: decision support system, i.e., a data and software infrastructure that facilitates decision support

has constraint
type: ObjectProperty
domain: decision support system
range: condition
sub property of: has proper part
comment: points to a constraint of the optimization problem

has maximization objective
type: ObjectProperty
domain: decision support system
range: maximization objective
sub property of: has objective
comment: points to a target quantity that is to be maximized

has minimization objective
type: ObjectProperty
domain: decision support system
range: minimization objective
sub property of: has objective
comment: points to a target quantity that is to be minimized

has objective
type: ObjectProperty
domain: decision support system
range: optimization objective
sub property of: has proper part
comment: points to a target quantity

application decision support system
type: Class
subclass of: decision support system
comment: application decision support system, i.e., a decision support system that occurs in an application case

use case decision support system
type: Class
subclass of: application decision support system
comment: use-case decision support system (UDSS), i.e., a decision support system that is applied to a use case

PE type A.1: Classical-mechanical density functional theory (atomistic)
type: physical equation type
type: codelist pe type
type: pe type atomistic density functional
in scheme: CL PE TYPE
notation: PE_TYPE_A.1

PE type A.2: Molecular statics (atomistic), energy minimization
type: physical equation type
type: codelist pe type
type: pe type atomistic molecular statics
in scheme: CL PE TYPE
notation: PE_TYPE_A.2

PE type A.3: Molecular dynamics (atomistic)
type: physical equation type
type: codelist pe type
type: pe type atomistic molecular dynamics
in scheme: CL PE TYPE
notation: PE_TYPE_A.3

PE type A.4: Partition function (atomistic), e.g., for a Monte Carlo solver
type: physical equation type
type: codelist pe type
type: pe type atomistic partition function
in scheme: CL PE TYPE
notation: PE_TYPE_A.4

PE type A.5: Atomistic spin model
type: physical equation type
type: codelist pe type
type: pe type atomistic spin model
in scheme: CL PE TYPE
notation: PE_TYPE_A.5

PE type A.6: Statistical transport model (atomistic)
type: physical equation type
type: codelist pe type
type: pe type atomistic statistical transport
in scheme: CL PE TYPE
notation: PE_TYPE_A.6

PE type CO.1: Continuum solid mechanics
type: physical equation type
type: codelist pe type
type: pe type continuum solid mechanics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.1

PE type CO.2: Continuum fluid mechanics
type: physical equation type
type: codelist pe type
type: pe type continuum fluid mechanics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.2

PE type CO.3: Continuum modelling of heat transfer and thermomechanics
type: physical equation type
type: codelist pe type
type: pe type continuum heat transfer
in scheme: CL PE TYPE
notation: PE_TYPE_CO.3

PE type CO.4: Phase field model or continuum density gradient theory
type: physical equation type
type: codelist pe type
type: pe type continuum phase field
in scheme: CL PE TYPE
notation: PE_TYPE_CO.4

PE type CO.5: Continuum thermodynamics
type: physical equation type
type: codelist pe type
type: pe type continuum thermodynamics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.5

PE type CO.6: Continuum modelling of chemical reaction kinetics
type: physical equation type
type: codelist pe type
type: pe type continuum reaction kinetics
in scheme: CL PE TYPE
notation: PE_TYPE_CO.6

PE type CO.7: Continuum electromagnetism model (including optics, magnetism, etc.)
type: physical equation type
type: codelist pe type
type: pe type continuum electromagnetism
in scheme: CL PE TYPE
notation: PE_TYPE_CO.7

PE type CO.8: Continuum process model (including devices and components of chemical/mechanical processes, flow-chart models, etc.)
type: physical equation type
type: codelist pe type
type: pe type continuum process model
in scheme: CL PE TYPE
notation: PE_TYPE_CO.8

PE type EL.1: Ab-initio quantum mechanical (or first principle) model
type: physical equation type
type: codelist pe type
type: pe type electronic qm abinitio
in scheme: CL PE TYPE
notation: PE_TYPE_EL.1

PE type EL.2: Electronic many-body and/or effective Hamiltonian model
type: physical equation type
type: codelist pe type
type: pe type electronic manybody effective
in scheme: CL PE TYPE
notation: PE_TYPE_EL.2

PE type EL.3: QM model of the response to time-dependent fields
type: physical equation type
type: codelist pe type
type: pe type electronic time dependent
in scheme: CL PE TYPE
notation: PE_TYPE_EL.3

PE type EL.4: Statistical charge transport model
type: physical equation type
type: codelist pe type
type: pe type electronic charge transport
in scheme: CL PE TYPE
notation: PE_TYPE_EL.4

PE type EL.5: Statistical electron spin transport model
type: physical equation type
type: codelist pe type
type: pe type electronic spin transport
in scheme: CL PE TYPE
notation: PE_TYPE_EL.5

PE type M.1: Classical-mechanical density functional theory (mesoscopic)
type: physical equation type
type: codelist pe type
type: pe type mesoscopic density functional
in scheme: CL PE TYPE
notation: PE_TYPE_M.1

PE type M.2: Molecular statics (mesoscopic), i.e., energy minimization
type: physical equation type
type: codelist pe type
type: pe type mesoscopic molecular statics
in scheme: CL PE TYPE
notation: PE_TYPE_M.2

PE type M.3: Molecular dynamics (mesoscopic), i.e., coarse-grained or united-atom modelling
type: physical equation type
type: codelist pe type
type: pe type mesoscopic molecular dynamics
in scheme: CL PE TYPE
notation: PE_TYPE_M.3

PE type M.4: Partition function (mesoscopic), e.g., for a Monte Carlo solver
type: physical equation type
type: codelist pe type
type: pe type mesoscopic partition function
in scheme: CL PE TYPE
notation: PE_TYPE_M.4

PE type M.5: Micromagnetism model
type: physical equation type
type: codelist pe type
type: pe type mesoscopic micromagnetism
in scheme: CL PE TYPE
notation: PE_TYPE_M.5

PE type M.6: Statistical transport model (mesoscopic)
type: physical equation type
type: codelist pe type
type: pe type mesoscopic statistical transport
in scheme: CL PE TYPE
notation: PE_TYPE_M.6