Journal Article

FZJ-2021-01813

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Data-mining of dislocation microstructures: concepts for coarse-graining of internal energies

Song, H.FZJ* ; Gunkelmann, N. ; Po, G. ; Sandfeld, S. (Corresponding author)FZJ*

2021
IOP Publ. Bristol

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Please use a persistent id in citations: http://hdl.handle.net/2128/33776  doi:10.1088/1361-651X/abdc6b

Abstract: Continuum models of dislocation plasticity require constitutive closure assumptions, e.g., by relating details of the dislocation microstructure to energy densities. Currently, there is no systematic way for deriving or extracting such information from reference simulations, such as discrete dislocation dynamics (DDD) or molecular dynamics. Here, a novel data-mining approach is proposed through which energy density data from systems of discrete dislocations can be extracted. Our approach relies on a systematic and controlled coarse-graining process and thereby is consistent with the length scale of interest. For data-mining, a range of different dislocation microstructures that were generated from 2D and 3D DDD simulations, are used. The analyses of the data sets result in energy density formulations as a function of various dislocation density fields. The proposed approach solves the long-standing problem of voxel-size dependent energy calculation during coarse graining of dislocation microstructures. Thus, it is crucial for any continuum dislocation dynamics simulation.

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Contributing Institute(s):

1. Materials Data Science and Informatics (IAS-9)

Research Program(s):

1. 5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511) (POF4-511)
2. MuDiLingo - A Multiscale Dislocation Language for Data-Driven Materials Science (759419) (759419)

Appears in the scientific report 2022

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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