Understanding binary phase separation towards Cu-C nanocrystalline-amorphous composites

TL;DR

This study uses molecular dynamics simulations to explore how initial pressure and copper concentration influence the formation and morphology of Cu-C nanocrystalline-amorphous structures during energetic deposition, providing new insights into phase separation mechanisms.

Contribution

It introduces a MD simulation approach to analyze binary Cu-C phase separation, offering a novel understanding of the evolution of nanocrystalline-amorphous textures.

Findings

Initial pressure and Cu concentration determine nanocrystalline morphology.

MD simulation reveals the evolution mechanism of phase separation.

Provides theoretical insights into energetic deposition processes.

Abstract

The nanocrystalline-amorphous textures are commonly observed in the coatings synthesized by energetic deposition.This work reports a theoretical study towards binary Cu-C phase separation.By performing a MD simulation using the LAMMPS instead of classical PFK methodology, we theoretically explained how the initial pressure and Cu concentration fundamentally determines Cu nanocrystalline's final morphology and grain size,which gives a novel insight into binary phase separation and the evolution mechanism of nanocrystalline-amorphous structures during energetic deposition.