Scenario for Data Exchange at the Microstructure Scale

G J Schmitz,U Prahl,H Farivar

doi:10.1007/s40192-017-0092-5

G J Schmitz, U Prahl + Show 1 more

Open Access

https://doi.org/10.1007/s40192-017-0092-5

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Abstract

Microstructures represent the key to interoperability between continuum models operating at the process scale and discrete models and tools describing atoms/electrons. They also provide the link between experimental materials characterisation and the virtual world. The present paper introduces a microstructure state as the central information providing the link across different length scales and along the temporal evolution of a component. Different ways of generating and representing the microstructure state are categorized and related to different classes of models acting on that state. A pragmatic way of digitally storing the microstructure state being based on the hierarchical data format HDF5 is proposed.

Highlights

Microstructures and models for their description are situated between discrete electronic, atomistic and mesoscopic models and the continuum models at the process level
Statistical values like averages, distributions, standard deviations and other types of statistical data can be extracted from the microstructure state description by a homogenisation type approach, as the state contains all relevant information in full spatial resolution
The metadescription of different objects within the microstructure and their mutual arrangement, i.e. the geometry of the microstructure [2], forms the backbone for many types of further attributes to these objects such as descriptors for the energetics of a microstructure or descriptors for the properties of a microstructure. This present article paper has outlined a scenario for data exchange at the microstructure scale

Summary

Introduction

Microstructures and models for their description are situated between discrete electronic, atomistic and mesoscopic models and the continuum models at the process level. The state description as detailed in the present article provides both a full spatial resolution character and a statistical information content, which are both necessary for interaction with models operating at the component scale and with electronic/atomistic/mesoscopic models. This implies that besides a thorough and comprehensive description of the microstructure state, accurate property models and equations based on the microstructure information are of equal importance.

Results

Conclusion