Contribution to a conference proceedings/Contribution to a book

FZJ-2018-02962

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Cross-Scale Molecular Dynamics Simulations of Single Crystal Plasticity

Stukowski, A. ; Zepeda-Ruiz, L. A. ; Oppelstrup, T. ; Bulatov, V. V.

2018
Forschungszentrum Jülich GmbH, Zentralbibliothek Jülich

Please use a persistent id in citations: http://hdl.handle.net/2128/18570

Abstract: Strength and plasticity properties of a metal are typically defined by dislocations – line defects in the crystal lattice whose motion results in atomic slippage along lattice planes. It is of considerable fundamental and practical interest to identify and quantify conditions at which dislocation-mediated plasticity reaches its limits and to understand what happens to the metal beyond any such limit. Resolving every “jiggle and wiggle” of atomic motion, molecular dynamics (MD) simulations are faithful to every possible mechanism of material response making them uniquely suited for probing conditions when dislocation motion begins to be superseded by some other mechanism of crystal plasticity. Here, we present the first fully dynamic atomistic simulations of bulk single crystal plasticity in tantalum metal predicting that, on reaching certain limiting conditions of straining, dislocations alone can no longer relieve mechanical loads and another mechanism, deformation twinning, takes over as the dominant mode of dynamic response. Below this limit, however, the metal attains a path-independent steady state of plastic flow in which both the flow stress and the dislocation density remain constant indefinitely.

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Contributing Institute(s):

1. John von Neumann - Institut für Computing (NIC)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

Appears in the scientific report 2018

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Database coverage:

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