Temperature-pressure-induced solid-solid to reorientation in FCC metallic nanowire: a molecular dynamic study

Atomistic simulation of initial <100> oriented FCC Cu nanowires shows a novel coupled temperature-pressure dependent reorientation from <100> to <110> phase. A temperature-pressure-induced solid-solid <100> to <110> reorientation diagram is generated for Cu nanowire with varying cross-sectional sizes. A critical pressure is reported for Cu nanowires with varying cross-sectional sizes, above which an initial <100> oriented nanowire shows temperature independent reorientation into the <110> phase. The effect of surface stresses on the <100> to <110> reorientation is also studied. The results indicate that above a critical cross-sectional size for a given temperature-pressure, <100> to <110> reorientation is not possible. It is also reported here that for a given applied pressure, an increase in temperature is required for the <100> to <110> reorientation with increasing cross-sectional size of the nanowire. The temperature-pressure-induced solid-solid <100> to <110> reorientation diagram reported in the present paper could further be used as guidelines for controlling the reorientations/shape memory in nano-scale applications of FCC metallic nanowires.