Twinning to slip transition in ultrathin BCC Fe nanowires

TL;DR

This study uses molecular dynamics simulations to explore how ultrathin BCC Fe nanowires transition from twinning to slip deformation modes as size decreases and temperature increases, revealing size and temperature-dependent deformation behaviors.

Contribution

It provides new insights into the size and temperature effects on deformation mechanisms in ultrathin BCC Fe nanowires, highlighting the twinning to slip transition.

Findings

Slip mode dominates at small sizes and high temperatures.

Twinning is favored at larger sizes and lower temperatures.

Transition temperature increases with nanowire size.

Abstract

We report twinning to slip transition with decreasing size and increasing temperature in ultrathin $<$100$>$ BCC Fe nanowires. Molecular dynamics simulations have been performed on different nanowire size in the range 0.404-3.634 nm at temperatures ranging from 10 to 900 K. The results indicate that slip mode dominates at low sizes and high temperatures, while deformation twinning is promoted at high sizes and low temperatures. The temperature, at which the nanowires show twinning to slip transition, increases with increasing size. The different modes of deformation are also reflected appropriately in the respective stress-strain behaviour of the nanowires.