|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||ICME Infrastructure Development for Accelerated Materials Design: Data Repositories, Informatics, and Computational Tools
||D2C – Converting and Compressing Discrete Dislocation Microstructure Data
||Stefan Sandfeld, Dominik Steinberger, Manuel Leimberger
|On-Site Speaker (Planned)
The mechanical behaviour of materials is strongly dependent on the underlying microstructure. Understanding and predicting this structure-property relation e.g. of ductile metals is central to experimental and computational materials science. One of the big challenges is the characterization of often very complex microstructure and the direct comparison of data possibly obtained from different computational and/or experimental methods.
We propose a novel 'language' for computationally characterizing dislocation microstructures: using orientation distributions we can mathematically compress the data by means of a continuum description and the minimum information principle. This data format can be tuned w.r.t. the level of compression and allows to directly compare (ensemble averages of) discrete microstructures from very different methods, e.g. MD simulations, TEM data or DDD microstructure. We additionally show how our approach might serve as the foundation for a unified approach towards data mining of dislocation data.
||Planned: A print-only volume