Effect of Strain Rate and Temperature on Mechanical Properties of Silicon Nanowire: MD Simulation Studies

Abstract: Silicon nanowires are of immense importance to the scientific community because of their unique properties and wide range of applications. In this work, MD simulations using MEAM potentials are employed to investigate the impact of temperature and strain rate on various mechanical properties of an ultra-thin silicon nanowire with a diameter of 3 nm. To characterize the effect of strain rate, the nanowire is subjected to strain rates varying from 0.0005 ps-1 to 0.05 ps-1 at 300 K, while the temperature effect is examined by varying it in the range of 10-700 K at a constant strain rate of 0.005 ps-1. Young’s modulus, yield strength, yield strain, and fracture strain of nanowire are calculated based on the variation of stress with strain. The study shows that both strain rate and temperature significantly influence the elastic and plastic characteristics of the nanowire. The strength of the silicon nanowire increases with higher strain rates and lower temperatures. To validate the chosen potential model, the Young’s modulus of bulk silicon is estimated, showing good agreement with experimental values. Keywords: MD simulations, Silicon, Nanowire, Strain rate, Young’s modulus. PACS: 68.35.Fx; 68.35.Ja.