Multiscale Simulation of Defects and Shear Localization in Metallic Glasses

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0084886This research addresses one of the long outstandingfundamental problems in metallic glasses: microscopic mechanisms ofdeformation. Metallic glass deforms in highly localized zones calledshear bands. The inability to spread the local deformationis the dominant factor affecting the fracture strength, toughness,and widespread applications of amorphous metals. The aim of thiswork is to search and identify defects that promotedeformation in amorphous metals. To answer the challengesposed by the lack of long-range order in amorphous materials, we plan to use extensive, multiscale computer simulations.We will develop algorithms to characterize free volumes,non-equilibrium simulation methods to model local heat dissipation,techniques to identify extended defects such as dislocations,and finally, development of stochastic dynamic method to modelshear band propagation on mesoscopic scale. We expect theknowledge generated from the multiscale simulations to lay afoundation for the future development of theoretical models,and provide guidance to experiments in synthesis, testingand application of metallic glasses and their composites