Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 20, Issue 26, Pages 17727-17738Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp03241f
Keywords
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Funding
- National Magnetic Confinement Fusion Program [2013GB109002]
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Molecular dynamics simulations are performed to investigate the orientation and temperature dependence of tensile response in single crystal W. It is found that W single crystal exhibits distinct temperature-dependent deformation behaviors along different orientations. With increasing temperature, the yield strain in the [001] orientation increases, while those in [110] and [111] orientations first increase and then decrease. The tensile deformations along orientations close to [001] are found to be dominated by twinning; the nucleation and growth of twins are accomplished through the nucleation and glide of ?111 partial dislocations on {112} planes. In contrast, the deformations along orientations close to [110] and [111] are found to be dominated by the slip of 1/2111 full dislocations, which move in a stay-and-go fashion. Moreover, intermediate deformation behaviors, which may become unstable at high temperatures, are observed for some intervening orientations. The distinct deformation behaviors of W along different orientations are rationalized based on the twinning-antitwinning asymmetry of ?111 partial dislocations on {112} planes.
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