Ratcheting Behaviour of Nano-Scale Copper by Classical Molecular Dynamics Simulations

Abstract

The aim of this investigation is to study the tensile and fatigue behavior of nanoscale copper at various temperatures through simulations based on molecular dynamics. The tensile stress–strain curve at various temperatures was obtained for nanoscale copper. Then, ultimate tensile strength (UTS) values of the nanoscale copper at different temperatures were determined. It was found that UTS decreases with increase in temperature. It was also observed that Young’s modulus of nanoscale copper decreased with increase in temperature. Variation of tensile properties with simulation box size has also been analyzed. With increase in dimensions of the simulation box, UTS was found to decrease appreciably. The nature of accumulation of ratcheting strain varies with several parameters. Effect of few of these parameters like temperature, stress ratio, maximum stress on ratcheting behavior has been studied in this investigation. The ratcheting behavior of nanoscale copper with varying temperatures has been obtained. The accumulation of ratcheting strain was observed to increase with increase in temperature. With increase in stress ratio (R), it was observed that there is an increase in accumulation of ratcheting strain.