Temperature–pressure-induced solid–solid 〈100〉 to 〈110〉 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.