DISOS: DISO-sim module

[az-ihsan]

As one of the point to be resolved in #3, this issue to gather the idea what should be inside the DISO-sim module. So far, we have gathered several points:

• Include Materials Design Ontology (MDO) core to define a set of simulation. MDO core could describe the structure used as input and output for a simulation/calculation, the calculated property (scalar) resulted from a simulation, physical property used as e.g., materials properties, etc.
• What are missing in the MDO core for the DISO-sim module are the class to describe a dislocation microstructure and a class to describe a calculated property of vector/tensor.
• If we define the dislocation microstructure, what is the relation to physical CrystallineMaterial class?
• How to define the geometry of dislocation microstructure? e.g., defining the geometry boundary.