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Computer Simulation of the Interaction of Junction Disclinations in Nanomaterials with Grain Boundary Vacancies

Journal Solid State Phenomena (Volume 137)
Volume Interaction between Defects and Anelastic Phenomena in Solids
Edited by Igor S. Golovin and Daniil M. Levin
Pages 1-8
DOI 10.4028/www.scientific.net/SSP.137.1
Citation Ayrat A. Nazarov et al., 2008, Solid State Phenomena, 137, 1
Online since March, 2008
Authors Ayrat A. Nazarov, R.T. Murzaev
Keywords Atomistic Simulation, Junction Disclination, Nanostructured Metals, Nonequilibrium Grain Boundary, Severe Plastic Deformation (SPD), Vacancy
Abstract

Junction disclinations are important elements of the structure of nanostructured metals produced by severe plastic deformation (SPD). Effect of these defects on the formation energy of vacancies in grain boundaries (GBs) is studied by means of atomistic computer simulations. Estimates based on the calculations of vacancy formation energies suggest that at least two orders of magnitude increase of the GB diffusion coefficient can be expected due to junction disclinations in nanostructured metals.

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