Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials
Abstract The earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into materials and biomolecular force fields has advanced multiple research fields, for example, metal–electrolyte interfaces, recognition of biomolecules, colloidal assembly of metal nanostructures, alloys,...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-020-00478-1 |