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Computational Study Of Tensile Deformation Of A Constrained Nanoscale Metallic Glass

J. Pang, M. Tan, K. M. Liew
Published 2010 · Materials Science

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In this study a nanometer-sized metallic glass (nano-MG) Ti50Cu50 was generated with constrained atoms at both ends and was extended until fracture under a tensile load by molecular dynamics simulation using the general embedded-atom model (GEAM) potential. Totally different mechanical behavior was observed in the nano-MG, such as strain hardening and necking, both of which have been discovered in a few real and simulated MGs and can be related to the generation of shear transformation zones (STZs). A dramatic drop in Young's modulus was found due to the surface effect. Such effect results from the large fraction of surface atoms which have a different surrounding configuration from bulk atoms. At fracture the nano-MG breaks by atomic separation as reported in metal nanowires. The fracture strain is as large as about 120%, indicating that nano-MGs are intrinsically ductile.
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