Atomic-level view of inelastic deformation in a shock loaded molecular crystal

Jaramillo  E; Sewell  TD; Strachan  A

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Atomic-level view of inelastic deformation in a shock loaded molecular crystal

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We use molecular dynamics to characterize the atomic-level mechanisms of plastic deformation in an organic molecular crystal under dynamical loading, namely, alpha-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine shocked in the 100 direction. Plasticity for weak shocks is governed by dislocations with Burgers vectors b=1/2 gliding on {101} planes. As the shock strength is increased, we observe a gradual transition to a regime dominated by nanoscale shear bands that does not exhibit a preferred crystallographic slip and where the material becomes locally amorphous.

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《Physical review, B. Condensed matter and materials physics》 |2007年第6期|4112-1-4112-6-0|共6页
作者
Jaramillo E; Sewell TD; Strachan A;
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作者单位

Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA;

Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA;

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原文格式 PDF
正文语种英语
中图分类固体物理学;
关键词
BCC TRANSITION-METALS; OCTAHYDRO-1; 3; 5; 7-TETRANITRO-1; 7-TETRAZOCINE HMX; CYCLOTETRAMETHYLENE TETRANITRAMINE; DYNAMICS SIMULATIONS; COMPUTER-SIMULATION; DISLOCATIONS; STRENGTH; SHEAR; PLASTICITY;

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Atomic-level view of inelastic deformation in a shock loaded molecular crystal

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