ARTICLE
|
doi:10.20944/preprints202305.0234.v1
Subject:
Engineering,
Mechanical Engineering
Keywords:
Molecular dynamics; LAMMPS; displacement cascade; defects
Online: 4 May 2023 (08:27:04 CEST)
ARTICLE
|
doi:10.20944/preprints202407.2136.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Solvation free energies; Free Energy Perturbation; hydration; Molecular dynamics; LAMMPS
Online: 26 July 2024 (06:37:16 CEST)
ARTICLE
|
doi:10.20944/preprints202308.1329.v1
Subject:
Chemistry And Materials Science,
Ceramics And Composites
Keywords:
molecular dynamics simulation; ytterbium pyrochlore oxides; nuclear waste substrate; displacement cascades; lattice constants; high entropy alloys; LAMMPS
Online: 18 August 2023 (07:22:26 CEST)