Open AccessAtomistic simulation of yield mechanism of single crystal copper nanowires
Author(s) -
Xu Zhen-Hai,
Yuan–Ching Lin,
Debin Shan,
Bin Guo
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.4835
Subject(s) - crystal twinning , materials science , partial dislocations , slip (aerodynamics) , nanowire , copper , single crystal , dislocation , yield (engineering) , crystallography , deformation (meteorology) , deformation mechanism , condensed matter physics , composite material , nanotechnology , metallurgy , microstructure , thermodynamics , physics , chemistry
Molecular statics simulation was used to study the yielding mechanism of 〈100〉 oriented single crystal copper nanowires under tension. The results show that, the yield of nanowires is initially realised via {111}〈112〉 twinning from random activation of partials, and subsequently via slip of {111}〈112〉 partial dislocation; in addition, the partial dislocations on different planes successively slip and meet to form stair-rod dislocation at the initial stage of plastic deformation, while some partial dislocations are piled up near the rigid boundary at the later stage of plastic deformation, both of which hinder dislocation slip, resulting in strengthening of the single crystal copper nanowires.