Monte Carlo Simulation of Breaking of Gold Nanowires

概要

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XVe have sirntrlated tlue breaking process of' Au nanowires trsing tlae llvlonte Carlo rnethod.Nanowires for the sinaulation consist of atounic layers perpendictrlar to the [0014 axis ctmt otrtfrorn the f'cc lattice. XX7e laave stretched tl'xe r'xanoxvires and have followed relaxation of atottuicarrangements dtrring elongation of the wires at 300 and 600 K. The lVIorse poteratial has been trsedas an interatormic potential. The sirntrlations shoxv fl?at tlae elo?agation of nanoxvires proceedsin alternatirag elastic and yielding stages Ulp to the last raaornent of breaking. Eacla elastic stageis the elor?gation due to an increase ita interlayer sjcacings, auad eacla yielding stage correspondsto 2111 abrtrpt slipping event of' several atozaas 011 tlue {Ill} plane. Each slipjcing eveutt cattsesan increase in the nuuaaber of layers perperadicular to tlae xvire axis. Tlae nanoxvires break art astaaaller strain at 600 K thana at 300 K becatrse of thernaal atonnic tnotiou'xs in tlae neck of' tlae wire,
社団法人日本物理学会の論文
1999-11-15