Paper Title:
Analysis of {10-12} Twin Structure by Molecular Dynamics Method
  Abstract

{10 2} twin is common in pure hcp metals. In this study, initiation and development of {10 2} twin in hcp metal was simulated by molecular dynamics (MD) method. Two types of model crystals were stretched along the y-axis by applying displacement of 0.005a (a is lattice constant of the basal plane) every 1000 MD steps and relaxed atoms by molecular dynamics method. The Y-boundary of the model was applied fixed boundary condition and the X and the Z-boundary were free boundary condition. The Lennard-Jones type interatomic potential was employed in this simulation. In the single crystal, {10 1} pyramidal slip initiated at the crack tip and the pyramidal slip was stopped at Y-boundary atoms. After that, a {10 2} twin was initiated at a front of the slip. With increasing external strain, the twin grew with increasing external strain. In the bi-crystal, {10 0} prismatic slip occurred at the crack tip in Crystal 1 and a-dislocation of the slip stopped at a grain boundary between the Crystal 1 and 2. With increasing applied strain, {10 2} twin was initiated in the Crystal 2 at the grain boundary. From the simulation results, the ‘shuffling’ process of twin deformation was estimated.

  Info
Periodical
Materials Science Forum (Volumes 654-656)
Main Theme
Edited by
Jian-Feng Nie and Allan Morton
Pages
1586-1589
DOI
10.4028/www.scientific.net/MSF.654-656.1586
Citation
K. Nakamura, H. Kitahara , S. Ando, "Analysis of {10-12} Twin Structure by Molecular Dynamics Method", Materials Science Forum, Vols. 654-656, pp. 1586-1589, 2010
Online since
June 2010
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$32.00
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