Graphitization of amorphous carbons: A comparative study of interatomic potentials

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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...

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Bibliographic Details
Main Authors:	de Tomas, Carla, Suarez-Martinez, Irene, Marks, Nigel
Format:	Journal Article
Published:	Pergamon 2016
Online Access:	http://purl.org/au-research/grants/arc/DP150103487 http://hdl.handle.net/20.500.11937/21109

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