EFFECTS OF ATOMICS GROWING ORIENTATION TO MECHANICAL PROPERTIES OF Cu/Ta BILAYER USING MOLECULAR DYNAMICS SIMULATION

Anh-Tuan Do; Anh-Son Tran

Anh-Tuan Do Hung Yen University of Technology and Education
Anh-Son Tran

Keywords: Molecular dynamics, Cu/Ta nanofilms, Hirth dislocations, Thompson tetrahedron

Abstract

In this article, the effects of different atomics growing orientations to mechanical properties of Cu/Ta nanofilms with a circle void defect under tension process are studied using molecular dynamics simulation. The stress-strain relationship, structural phase transformations, dislocation mechanism, and local stress concentration are examined. The results show that the Cu[100]/Ta[111] nanofilm exhibited the most excellent mechanical properties. The FCC structures are mainly transformed into HCP structures, and <112>, <110> dislocations occurred in Cu sections. The local stress concentrations are focused around the intersection regions between void defect and Cu/Ta interface.

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