MultiSOM: Molecular Dynamics samples of FCC and BCC High Entropy Alloys used in the case-studies

Published: 14 February 2023| Version 1 | DOI: 10.17632/2k2m74zc7v.1
Franco Aquistapace


This dataset contains the MD samples used in the case-studies of the MultiSOM software. It contains the following files: - FeNiCrCoCu_groups.960000 : FeNiCrCoCu sample with a nanopore at 0.096 uniaxial strain - SOM_HEAdump.2525000.groups.config : FeNiCrCoCu nanofoam at 0.505 uniaxial strain - SOM_HEAdump.2975000.groups.config : FeNiCrCoCu nanofoam at 0.595 uniaxial strain - SOM_BOA_feat_dump_HEARb25_44000.groups.config : HfNbTaZr sample with a nanopore at 0.044 uniaxial strain All samples contain the features used to train MultiSOM, the sub-clusters found by MultiSOM, and the groups built from said sub-clusters.


Steps to reproduce

All of the samples are the results of Molecular Dynamics simulations performed with the LAMMPS software.


Molecular Dynamics, Nanostructured Material