Open AccessPARAMETRIC STUDY OF REAXFF SIMULATION PARAMETERS FOR MOLECULAR DYNAMICS MODELING OF REACTIVE CARBON GASES
Author(s) -
Benjamin David Jensen
Publication year - 2013
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.37099/mtu.dc.etds/643
Subject(s) - reaxff , molecular dynamics , force field (fiction) , graphite , carbon fibers , materials science , amorphous carbon , carbon nanotube , fullerene , parametric statistics , chemistry , amorphous solid , chemical physics , computational chemistry , thermodynamics , nanotechnology , organic chemistry , physics , composite material , statistics , interatomic potential , mathematics , composite number , quantum mechanics
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