A new hydrocarbon empirical potential for the molecular dynamics simulation of nanogear
In this paper, a new model of hydrocarbon potential energy function is developed in order to produce short range potential which is more accurate than reactive empirical bond order (REBO) potential. Short range potential is heavily used in Molecular Dynamics Simulation of nano materials as well as N...
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Main Authors: | Ai, Ping Tan, Su, Hoe Yeak |
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Format: | Conference or Workshop Item |
Published: |
2011
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Online Access: | http://eprints.utm.my/id/eprint/45489/ https://www.researchgate.net/publication/315600276_A_New_Hydrocarbon_Empirical_Potential_for_the_Molecular_Dynamics_Simulation_of_Nanogear |
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