NbMoTa kMC Data

Published: 7 June 2024| Version 1 | DOI: 10.17632/vt44jzp87k.1
Contributors:
Anas Abu-Odeh, Bin Xing, Penghui Cao, Blas Uberuaga, Mark Asta

Description

The zip file contains the raw data required to reproduce the results from the concentration wave model found in "A Simple Model for Short-Range Ordering Kinetics in Multi-Principal Element Alloys." It contains dump files with snapshots of atomic configurations from kinetic Monte Carlo simulations, and .csv files which provide the time associated with each snapshot, as well as diffusion coefficients. See README file for more detail.

Files

Categories

Monte Carlo Simulation, Atomic Structure, Kinetics

Licence