Aggregation of carbon in an atmosphere of molecular hydrogen investigated by ReaxFF-molecular dynamics simulations

Computational Materials Science

Volumn 49, Issue 2, 2010, Pages 243-252

  Lummen N ^a  

^a UNIVERSITY OF BERGEN   (Norway)

Author keywords

Aggregation; Carbon; Hydrocarbons; Hydrogen; Molecular dynamics; Reactive force field

Indexed keywords

AGGREGATION; BRANCHED STRUCTURES; CARBON ATOMS; CARBON NANOSTRUCTURES; FORCE FIELDS; HYDROCARBON MOLECULES; HYDROGEN ATOMS; HYDROGEN MOLECULE; LINEAR CARBON; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR HYDROGEN; REACTIVE FORCE FIELD; SIMULATION TIME; STRUCTURAL ELEMENTS; SYSTEM TEMPERATURE;

ATOMS; DYNAMICS; HYDROCARBONS; HYDROGEN; MOLECULAR DYNAMICS;

MOLECULES;

EID: 77955426220     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.04.046     Document Type: Article

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