Size-dependent theoretical tensile strength and other mechanical properties of [001] oriented Au, Ag, and Cu nanowires

摘要

A uniaxial tensile loading process was simulated on rectangular [001] oriented single-crystal Au, Ag, and Cu nanowires using the modified embedded atom method. The calculated theoretical tensile strength as well as elastic modulus and "yield strength" increases with decreasing wire width almost logarithmically, which is qualitatively consistent with relevant experimental results. According to the present observed linear relationship among these three parameters, we think, the size dependent mechanical behaviors in nanowires may be due to the enhanced attraction between atoms, which is caused by the accumulation of electron charges along wire axial direction.