Atomistic simulations of dislocations and defects |
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Authors: | John A Moriarty Vaclav Vitek Vasily V Bulatov and Sidney Yip |
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Affiliation: | (1) Lawrence Livermore National Laboratory, University of California, Livermore, CA, 94551, U.S.A.;(2) Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA, 19104, U.S.A.;(3) Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A. |
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Abstract: | This paper reviews selected recent research on the atomistic simulation of dislocation and defect properties of materials
relevant to the multiscale modeling of plasticity and strength, with special emphasis on bcc metals and including work at
extreme conditions. Current topics discussed include elasticity and ideal strength, dislocation structure and mobility, grain
boundaries, point defects, and rapid resolidification, as well as noteworthy examples of research that directly impacts the
issue of linking of length and/or time scales, as required in multiscale materials modeling. The work reviewed has been inspired
by the recent international Workshop on Multiscale Modeling of Materials Strength and Failure held in October 2001 at Bodega
Bay, California.
This revised version was published online in June 2006 with corrections to the Cover Date. |
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Keywords: | Atomistic simulation elasticity dislocations defects multiscale modeling plasticity strength |
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