Unphysical nucleation of diamond in the extended cutoff Tersoff potential
In simulations of carbon materials it is common practice to view the coefficients of the cutoff function as free parameters which can be optimised according to the system of interest. This work examines a common modification to the widely used Tersoff potential in which the coefficient of the upper...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis
2018
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| Online Access: | http://purl.org/au-research/grants/arc/DP150103487 http://hdl.handle.net/20.500.11937/55118 |