Graphitization of amorphous carbons: A comparative study of interatomic potentials
We perform a comparative study of six common carbon interatomic potentials: Tersoff, REBO-II, ReaxFF, EDIP, LCBOP-I and COMB3. To ensure fair comparison, all the potentials are used as implemented in the molecular dynamics package LAMMPS. Using the liquid quenching method we generate amorphous carbo...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
Pergamon
2016
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| Online Access: | http://purl.org/au-research/grants/arc/DP150103487 http://hdl.handle.net/20.500.11937/21109 |