2.3.3.3.8. Integrated Computational Materials Engineering

Application definitions for ICME models

It is important to embrace the large research community of materials engineers as they are frequent users of electron microscopy and atom probe microscopy. ICME is an abbreviation for Integrated Computational Materials Engineering, which is a design strategy and workflow whereby physics-based modelling of microstructure evolution is used to understand the relations between the microstructure and its technologically relevant descriptors to understand and tailor properties of materials.

The following application definitions are proposed to support the discussion on how materials-engineering-specific data schemas can connect to or be mapped on concepts which are equally modellable with NeXus:

NXmicrostructure:

A base class for documenting a snapshot of a reconstructed microstructure.

NXmicrostructure_imm_config, NXmicrostructure_imm_results:

A specific example of an application definition for documenting the configuration and results respectively of a computer simulation with the legacy microstructure synthesizer developed at the Institut für Metallkunde und Metallphysik in Aachen.

NXmicrostructure_kanapy_results:

A specific example of an application definition for documenting the results of a computer simulation with the kanapy microstructure synthesizer developed at the ICAMS in Bochum.

NXmicrostructure_score_config, NXmicrostructure_score_results:

A specific example of an application definition for documenting the configuration and results respectively of a computer simulation with the static recrystallization cellular automata model SCORE.

NXmicrostructure_gragles_config, NXmicrostructure_gragles_results:

A specific example of an application definition for documenting the configuration and results respectively of a computer simulation with the grain growth level-set-based model GraGLeS.