Atomistic Simulations on the Mechanical Behavior of Cu Nanowires with Twin Boundaries

X Tian and JZ Cui and XG Yu, JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 11, 727-730 (2014).

DOI: 10.1166/jctn.2014.3419

Atomistic simulations are used to study the deformation behavior of twinned Cu nanowires with a < 111 > growth orientation under tension. Due to the existence of the twin boundaries, the strength of the twinned nanowires is higher than that of the twin-free nanowire and the yielding stress of twinned nanowires is inversely proportional to the spacings of the twin boundaries. Moreover, the ductility of the twin-free nanowire is the highest of all and it grows with the increasing spacings of the twin boundaries for twinned nanowires. Besides, we find that the twin boundaries can be served as dislocation sources as well as the free surfaces and grain boundaries.

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