Ab Initio Simulation of Amorphous Graphite.
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DOI: 10.1103/physrevlett.128.236402
Abstract: An amorphous graphite material has been predicted from molecular dynamics simulation using ab initio methods. Carbon materials reveal a strong proclivity to convert into a sp^{2} network and then layer at temperatures near 3000 K within a… read more here.
Keywords: initio simulation; amorphous graphite; simulation; transition ... See more keywords