Effect of Temperature and Strain Rate Variation on Tensile Properties of a Defective Nanocrystalline Copper-Tantalum Alloy

Gupta, Mahesh Kumar; Mahapatra, Rajendra Prasad; Panwar, Vinay


Nanocrystalline alloys of immiscible in nature are emerging topics of interest for researchers due to better mechanical stability at high temperatures. Nanocrystalline Copper-Tantalum alloy is of particular interest for research exploration due to its high strength, limited solubility and high-temperature stability. In the present work, the mechanical properties of nanocrystalline 90/10 copper-tantalum (9Cu-Ta) alloy have been investigated using the molecular dynamics approach. Embedded atom method (EAM) of potential has been used to analyze the mechanical properties at high temperatures due to the high stability of EAM in molecular dynamic simulation. At high-temperature defects plays a very important role therefore a specific 9Cu-Ta nanostructure having 3% vacancies has been selected to explore its performance under a particular type of point defect. This study has been conducted under uniaxial tensile loading. The tensile properties of this defective nanocrystalline alloy have been compared at specific temperatures i.e. 300 K, 600 K, 800 K, 1000 K and 1200 K. The study revealed that the variation in temperature from 300 K to 1200 K results in the shifting of the stress-strain graph to lower stress values. It has also been noticed that the variation in ultimate tensile strength is the least in comparison to yield strength and elastic constant for the same variation in temperature. These results indicate the importance of avoiding thermal agitations during the synthesis and surface modification of nanocrystalline copper-tantalum alloy.


Mechanical properties, Modeling and simulation, Molecular dynamics, Point defect, Vacancy

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