# Molecular Dynamics Simulation Study on the Influence of Twin Spacing and Temperature on the Deformation Behavior of Nanotwinned AgPd Alloy

## TL;DR

This paper uses simulations to study how twin spacing and temperature affect the mechanical behavior of a silver-palladium alloy at the nanoscale.

## Contribution

The study reveals a dual strengthening–softening transition in fine-grained nanotwinned AgPd alloys with decreasing twin spacing.

## Key findings

- Fine-grained systems show a transition from strengthening to softening as twin spacing decreases.
- Coarse-grained systems exhibit consistent strengthening with reduced twin spacing.
- Elevated temperatures increase atomic mobility and promote twin boundary annihilation.

## Abstract

This study employs molecular dynamics simulations to unravel the interplay between twin spacing, temperature, and mechanical response in nanotwinned AgPd alloys. For fine-grained systems, a dual strengthening–softening transition emerges as twin spacing decreases, driven by a shift in dislocation behavior from inclined-to-twin-boundary slip to parallel-to-twin-boundary glide. In contrast, coarse-grained configurations exhibit monotonic strengthening with reduced twin spacing, governed by strain localization at grain boundaries and suppressed dislocation activity. Notably, cryogenic conditions stabilize pre-existing and nascent twins, whereas elevated temperatures intensify atomic mobility and boundary migration, accelerating twin boundary annihilation (“detwinning”).