Defect xyz positions from collision cascade simulations in W for three different interatomic potentials

Published: 25-10-2018| Version 1 | DOI: 10.17632/khnfh3n8w3.1
Contributor:
Manoj Warrier

Description

Data generated using our modifications to the LAMMPS (http://lammps.sandia.gov) code which outputs the defect positions at specified time intervals in a collision cascade simulation. This "raw" data can then be analyzed to obtain (i) the surviving number of defects, (ii) in cascade defect clustering, (iii) interstitial and vacancy distributions, etc using the methods described in https://doi.org/10.1016/j.jnucmat.2015.09.025

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Steps to reproduce

Separate MD simulations in 1000 random directions were carried out in the energy range 30-500 eV using LAMMPS. The MD simulations are described in the accompanying paper (link will be provided once the paper gets accepted).