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ARTICLE

Geometrically-Compatible Dislocation Pattern and Modeling of Crystal Plasticity in Body-Centered Cubic (BCC) Crystal at Micron Scale

Yuxi Xie, Shaofan Li^*

Department of Civil and Environmental Engineering, The University of California, Berkeley, CA 94720, USA

* Corresponding Author:Shaofan Li. Email:

(This article belongs to the Special Issue: Advances in Computational Mechanics and Optimization
To celebrate the 95th birthday of Professor Karl Stark Pister)

Computer Modeling in Engineering & Sciences 2021, 129(3), 1419-1440. https://doi.org/10.32604/cmes.2021.016756

Received 24 March 2021; Accepted 03 June 2021; Issue published 25 November 2021

Abstract

The microstructure of crystal defects, e.g., dislocation patterns, are not arbitrary, and it is possible that some of them may be related to the microstructure of crystals itself, i.e., the lattice structure. We call those dislocation patterns or substructures that are related to the corresponding crystal microstructure as the Geometrically Compatible Dislocation Patterns (GCDP). Based on this notion, we have developed a Multiscale Crystal Defect Dynamics (MCDD) to model crystal plasticity without or with minimum empiricism. In this work, we employ the multiscale dislocation pattern dynamics, i.e., MCDD, to simulate crystal plasticity in body-centered cubic (BCC) single crystals, mainly α-phase Tantalum (α-Ta) single crystals. The main novelties of the work are: (1) We have successfully simulated crystal plasticity at micron scale without any empirical parameter inputs; (2)We have successfully employed MCDD to perform direct numerical simulation of inelastic hysteresis of the BCC crystal; (3) We have used MCDD crystal plasticity model to demonstrate the size-effect of crystal plasticity and (4) We have captured cross-slip which may lead to size-effect.

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