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First-Principles Simulations Of The Stretching And Final Breaking Of Al Nanowires: Mechanical Properties And Electrical Conductance
PHYSICAL REVIEW B, no. 8 (2003)
摘要
The evolution of the structure and conductance of an Al nanowire subject to a tensile stress has been studied by first-principles total-energy simulations. Our calculations show the correlation between discontinuous changes in the force (associated with changes in the bonding structure of the nanowire) and abrupt modifications of the cond...更多
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