Enhanced mobility of dislocation network nodes and its effect on dislocation multiplication and strain hardening

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Main Authors: Bertin, Nicolas, Cai, Wei, Aubry, Sylvie, Arsenlis, Athanasios, Bulatov, Vasily V.
Format: Preprint
Published: 2022
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author Bertin, Nicolas
Cai, Wei
Aubry, Sylvie
Arsenlis, Athanasios
Bulatov, Vasily V.
author_facet Bertin, Nicolas
Cai, Wei
Aubry, Sylvie
Arsenlis, Athanasios
Bulatov, Vasily V.
contents Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been developed, but its lack of atomistic resolution leaves open the possibility that certain key mechanisms may be overlooked. By comparing large-scale Molecular Dynamics (MD) with DDD simulations performed under identical conditions we uncover significant discrepancies in the predicted strength and microstructure evolution in BCC crytals under high-strain rate conditions. These are traced to unexpected behaviors of dislocation network nodes forming at dislocation intersections, that can move in ways not previously anticipated as revealed by MD. Once these newfound freedoms of nodal motion are incorporated, DDD simulations begin to closely match plastic evolution observed in MD. This additional mechanism of motion whereby non-screw dislocations can change their glide plane profoundly affects fundamental processes of dislocation multiplication, recovery and storage that define strength of metals.
format Preprint
id arxiv_https___arxiv_org_abs_2210_14343
institution arXiv
publishDate 2022
record_format arxiv
spellingShingle Enhanced mobility of dislocation network nodes and its effect on dislocation multiplication and strain hardening
Bertin, Nicolas
Cai, Wei
Aubry, Sylvie
Arsenlis, Athanasios
Bulatov, Vasily V.
Materials Science
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been developed, but its lack of atomistic resolution leaves open the possibility that certain key mechanisms may be overlooked. By comparing large-scale Molecular Dynamics (MD) with DDD simulations performed under identical conditions we uncover significant discrepancies in the predicted strength and microstructure evolution in BCC crytals under high-strain rate conditions. These are traced to unexpected behaviors of dislocation network nodes forming at dislocation intersections, that can move in ways not previously anticipated as revealed by MD. Once these newfound freedoms of nodal motion are incorporated, DDD simulations begin to closely match plastic evolution observed in MD. This additional mechanism of motion whereby non-screw dislocations can change their glide plane profoundly affects fundamental processes of dislocation multiplication, recovery and storage that define strength of metals.
title Enhanced mobility of dislocation network nodes and its effect on dislocation multiplication and strain hardening
topic Materials Science
url https://arxiv.org/abs/2210.14343