Molecular Dynamics Simulations of Copper Nanowires for Evaluating Mechanical Properties Under Different Loading and Ambient Conditions

Abstract

An extensive study of mechanical properties, namely young’s modulus and yield strength, on the Copper nanowire is conducted in this paper. A strain rate driven tensile testing method has been employed in order to obtain mechanical properties of Cu NWs. A well-known methodology for evaluating mechanical properties in Molecular Dynamics (MD) computations is the tensile test employing strain rate. So, different strain rate has been employed here, in this paper, to evaluate its effect on material’s mechanical properties at Nano scale. Also, it has been evident that with the increment in temperature mechanical properties follow a decline trend for any material which has been studies in this paper particularly. For any nanomaterial, their superior mechanical properties are evident due to their large surface-to-volume ratio. This paper also conveys this phenomenon; a study of tensile effect on various Cu NWs length has shown that with the decrement of length of the material, and so by increasing surface-to-volume ratio, mechanical properties of the material increases.

Cite as

Mohammad Din Al Amin, AMM Shamsul Alam, & Md Alamgir Hossain. (2023). Molecular Dynamics Simulations of Copper Nanowires for Evaluating Mechanical Properties Under Different Loading and Ambient Conditions. Advancement in Mechanical Engineering and Technology, 6(1), 40–51. https://doi.org/10.5281/zenodo.7763260