Competing jump cycles for vacancy diffusion in binary alloys

TL;DR

This paper compares two diffusion mechanisms for vacancies in binary alloys, showing that the six-jump cycle generally enables faster diffusion than the one-jump cycle across various conditions.

Contribution

It evaluates mean-first-passage-times for vacancy diffusion via different cycles using network random walk properties, highlighting the conditions favoring the six-jump cycle.

Findings

Six-jump cycle is faster than one-jump cycle under studied parameters.

Temperature and barrier height influence the relative efficiency of diffusion cycles.

The study provides insights into vacancy diffusion mechanisms in binary alloys.

Abstract

The mean-first-passage-times (MFPTs) for a vacancy that diffuses (via one- and six-jump cycles) in a two dimensional ordered binary alloy are evaluated using the properties of random walks on networks. We investigate the effect of temperature and relative barrier height on the ratio between the MFPTs of the two cycles. We find that the six-jump cycle takes shorter time than the one-jump cycle for the range of parameters considered.