Edge dislocation mobilities in bcc Fe obtained by molecular dynamics

被引:117
作者
Queyreau, S. [1 ]
Marian, J. [1 ]
Gilbert, M. R. [2 ]
Wirth, B. D. [3 ,4 ]
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA
[2] EURATOM CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England
[3] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA
[4] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA
关键词
SCREW DISLOCATIONS; CORE STRUCTURES; PLASTIC-FLOW; 112; PLANES; GLIDE; CRYSTALS; STRESSES; IRON; SIMULATIONS; NUCLEATION;
D O I
10.1103/PhysRevB.84.064106
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In the traditional picture of plasticity in bcc metals, edge dislocations have been assumed to play a minor role due to their high mobility with respect to screw dislocations, which then control plastic flow. 1/2 < 111 >{110} edge dislocations indeed fit this description, as it has been shown by way of numerous atomistic simulations. However, 1/2 < 111 >{112} edge dislocations have been comparatively much less studied. The recent discovery of a possible regime where they move slowly via thermally activated kink-pair nucleation may have implications in the plastic behavior of bcc materials. Because dislocation mobilities are very difficult to measure experimentally, in this paper, we provide comprehensive mobility laws for both types of edge dislocations as a function of temperature and stress using molecular dynamics simulations. Our results confirm the existence of clearly delimited thermally activated and phonon drag dynamic regimes for 1/2 < 111 >{112} edge dislocations and of a single viscous drag regime for their 1/2 < 111 >{110} counterparts. We also provide an analysis to relate the difference in mobility to the dislocation core properties. Our fitted mobility laws may be used in dislocation dynamics simulations of plastic flow involving millions of segments.
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页数:7
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