Have a personal or library account? Click to login
Enhancing Multiscale Simulation Data Management with Domain Ontologies and an ELN: Addressing Challenges and Implementing Strategies Cover

Enhancing Multiscale Simulation Data Management with Domain Ontologies and an ELN: Addressing Challenges and Implementing Strategies

Open Access
|Sep 2025

Figures & Tables

dsj-24-1859-g1.png
Figure 1

The DIK hierarchy as it aligns with the ontological data management process. The color-coded stair-step model maps data management actions (steps 1–7) onto the levels of data and information, ultimately leading to the knowledge and ontologies.

dsj-24-1859-g2.png
Figure 2

Selected class hierarchies in Onto-MS. The upper part illustrates the Simulation Component class and its subclasses. The lower part depicts the Model Entity and Model Scale classes with their subclasses.

Table 1

External ontologies and their concepts reused or extended in Onto-MS, along with the rationale for their inclusion. (C) denotes class and (SC) denotes subclass.

ONTOLOGY NAMECONCEPT REUSEDONTO-MS EXTENSIONRATIONALE
EMMOComponent (C)Simulation Component (SC)To represent constituents of simulation systems
EMMOParameter (C)Parameter for Solver (SC)Solver-specific needs
EMMO+PROV-OParticipant (C) Agent (SC)-Aligned with PROV Agent to represent responsible participant in processes
PROV-OOrganization (SC)Research Group SCTo represent research teams within institutions
OSMOGranularity level (C)Used as Model Scale CTo represent multiscale simulation methods
SIOObjective (C)Task Objective (SC)To specify the objectives of simulation tasks
Metadata4IngMethod (C)Method (C)To describe the method used in simulation
Schema.orgResearch Project (C)POLIS (SC)To support interoperability at the project level
dsj-24-1859-g3.png
Figure 3

Ontology development lifecycle followed in Onto-MS, highlighting key stages such as domain definition, modeling strategy, implementation, evaluation, and refinement.

dsj-24-1859-g4.png
Figure 4

Task view: Shows the different concepts in the Onto-MS. Colored boxes represent the concepts imported from other ontologies, while uncolored boxes are native to Onto-MS. dsj-24-1859-g13.png EMMO dsj-24-1859-g14.png PROV-O dsj-24-1859-g15.png Metadata4Ing dsj-24-1859-g16.png SIO dsj-24-1859-g17.png Onto-MS. The color of the arrow signifies object properties or subclass relationships.

dsj-24-1859-g5.png
Figure 5

Model view: Shows the different concepts in the Onto-MS. Colored boxes represent the concepts imported from other ontologies, while uncolored boxes are native to Onto-MS. dsj-24-1859-g13.png EMMO dsj-24-1859-g19.png OSMO/MODA. dsj-24-1859-g18.png MUSICODE dsj-24-1859-g17.png Onto-MS. While the color of the arrow signifies object property or subclass relationship.

dsj-24-1859-g6.png
Figure 6

Solver view: Shows the different concepts in the Onto-MS. Colored boxes represent the concepts imported from other ontologies, while uncolored boxes are native to Onto-MS. dsj-24-1859-g13.png EMMO dsj-24-1859-g14.png TEMA dsj-24-1859-g17.png Onto-MS. The arrow’s color signifies object property or subclass relationship.

dsj-24-1859-g7.png
Figure 7

Onto-MS as ‘onto-ms’ collection in Kadi4Mat, where specific ontology classes are represented in records (shown in colored circles), and object properties are links between records in this collection.

dsj-24-1859-g8.png
Figure 8

Representation of a Task record from the Onto-MS ontology collection, where classes such as Method, Material Shape, and Geometry have been consolidated into a single record for demonstration purposes.

dsj-24-1859-g9.png
Figure 9

Representation of the Model record from the Onto-MS ontology collection in Kadi4Mat, which consolidates related classes or records such as Model Type, Model Entity, Simulation Model Validation, and others.

dsj-24-1859-g10.png
Figure 10

Representation of the Solver record from the Onto-MS ontology collection in Kadi4Mat, encompassing related classes or records such as Input for Simulation (e.g., Boundary Condition), Software, and Access Condition.

dsj-24-1859-g11.png
Figure 11

Represents a Measurement Result record from the Onto-MS ontology collection in Kadi4Mat, which consolidates ontology classes or records such as Raw Measurement Results, Tool for Post-Processing, and Inferred Measurement Results.

dsj-24-1859-g12.png
Figure 12

Representation of Onto-MS multiscale capabilities by integrating various length-scale simulation methods for the NVPC project.

Language: English
Submitted on: Nov 25, 2024
|
Accepted on: Sep 15, 2025
|
Published on: Sep 30, 2025
Published by: Ubiquity Press
In partnership with: Paradigm Publishing Services
Publication frequency: 1 issue per year

© 2025 Hafiz Muhammad Noman, Michael Selzer, published by Ubiquity Press
This work is licensed under the Creative Commons Attribution 4.0 License.