"The effect of time step, thermostat, and strain rate on ReaxFF simulations ..."

Benjamin D. Jensen, Kristopher E. Wise, Gregory M. Odegard (2015)

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DOI: 10.1002/JCC.23970

access: closed

type: Journal Article

metadata version: 2020-10-26

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Benjamin D. Jensen, Kristopher E. Wise, Gregory M. Odegard:
The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube. J. Comput. Chem. 36(21): 1587-1596 (2015)

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