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Molecular dynamics simulations of the size effect of titanium single-crystal nanopillars orientated for double prismatic slips
Authors:Junqiang Ren  Qiaoyan Sun  Xiangdong Ding  Jun Sun
Affiliation:State Key Laboratory for Mechanical Behaviour of Materials , Xi’an Jiaotong University , Xi’an , Shaanxi , 710049 , P.R. China
Abstract:An inverse “smaller is stronger” trend is predicted on the basis of molecular dynamics simulations of α-titanium (Ti) single-crystal nanopillars orientated for double prismatic slips when the nanopillars are less than 7?nm wide. This trend is attributed to a significant increase in the surface energy due to the nucleation and propagation of edge dislocations on the surface of the pillars.
Keywords:molecular dynamics simulations  titanium single-crystal  dislocations  surface effect
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