Onto-MS.github.io

This repository houses the documentation and files related to Onto-MS.

OntoMS: Ontology for Multi-Scale Simulation in Materials Science

OntoMS is an ontology designed to structure and integrate knowledge related to multi-scale simulation methods in materials science. It models the key processes, entities, and relationships essential for understanding and executing simulations across scales. The ontology facilitates efficient decision-making, data sharing, and interoperability in the domain.

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Key Features

• Comprehensive Modeling: Captures concepts such as simulation tasks, models, algorithms, and materials across multiple scales.
• Semantic Integration: Aligns with established ontologies like EMMO for consistency and interoperability.
• Facilitates Decision-Making: Enables semantic reasoning to improve simulation workflows.
• Support for Tools: Designed for use with tools like Protégé (offline) and WebWOWL (online).

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Core Concepts

1. Task: Refers to an activity or assignment requiring effort and undertaken to reach a specific outcome within a particular domain or context. And connects with:
   • Material (e.g., shapes, properties)
   • Time Interval
   • Task Objective etc. through appropriate object properties.
2. Model: a representation or abstraction of a real-world system, phenomenon, or process designed to mimic or simulate its behavior and characteristics. And connects with
   • Types (e.g., Mathematical, Numerical)
   • Model Entities (e.g., Atomistic, Micro, Nano, Macro)
   • Input for simulation (Initial Conditions, Boundary Conditions, Parameters)
   • Solver (For model implementation)
3. Algorithm: Specify solvers like Monte Carlo or Time-Dependent Solvers.
4. Measurement Results Specified as raw and inferred measurement results.

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Use Cases

• Multi-scale simulation for materials and devices.
• Interdisciplinary research collaboration across physics, chemistry, and engineering.
• Semantic reasoning for data integration and workflow optimization.

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Applications Modeled

• Kinetic Monte Carlo simulations.
• Simulation investigation of thermochemical evolution of microstructure and chemical segregation during dendritic solidification in laser beam welding.

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How to Access

• Online Viewer: Explore the ontology using WebWOWL for interactive browsing.
• Offline Use: Import into Protégé for detailed editing and exploration.

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Alignment and Interoperability

OntoMS is aligned with upper-level ontologies like EMMO,PROV-O, and BattINFO, ensuring compatibility with existing standards and frameworks. It addresses challenges such as:

• Semantic mismatches.
• Data heterogeneity.
• Lack of interconnections in simulation workflows.

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Benefits

• Enhances collaboration by standardizing terminology and structure.
• Facilitates data reuse and sharing.
• Enables inference and reasoning for advanced decision-making.
• Improves research reproducibility and documentation.

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Technical Details

• Format: OWL (Web Ontology Language)
• Namespace: https://w3id.org/ontoms/
• Version: 1.0.0

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Contact and Contribution

We welcome feedback and contributions!

• Author: Hafiz Muhammad Noman
• Contact: noman@kit.edu
• Repository: https://kit-mms.github.io/Onto-MS.github.io/

Feel free to submit issues, feature requests, or pull requests to improve OntoMS.