Computational study of tensile deformation of a constrained nanoscale metallic glass

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Original languageEnglish
Pages (from-to)305-310
Journal / PublicationInternational Journal of Modern Physics B
Issue number1-2
Publication statusPublished - 20 Jan 2010


In this study a nanometer-sized metallic glass (nano-MG) Ti 50Cu50 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. © 2010 World Scientific Publishing Company.

Research Area(s)

  • Mechanical property, Metallic glass, Molecular dynamics, Titanium alloys