Molecular dynamics study of structure and graphitization process of nanodiamonds

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 30.3K citations · Full text

Vibronic Interaction, Thermodynamic Modelling, Engineering +13

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.8K citations

Engineering, Simple Liquid, Liquid-liquid Flow +7

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

Donald W. Brenner · Physical review. B, Condensed matter · 1990 · 4K citations

Engineering, Computational Chemistry, Vacuum Device +24

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

Donald W. Brenner, Olga Shenderova, Judith A. Harrison et al. · Journal of Physics Condensed Matter · 2002 · 3.7K citations · Full text

Engineering, Computational Chemistry, Solid Carbon +16

Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon

J. Tersoff · Physical Review Letters · 1988 · 1.9K citations

Materials Science, Diamond-like Carbon, Carbonization +12