Unphysical nucleation of diamond in the extended cutoff Tersoff potential

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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...

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Bibliographic Details
Main Authors:	Aghajamali, Alireza, de Tomas, Carla, Suarez-Martinez, Irene, Marks, Nigel
Format:	Journal Article
Published:	Taylor & Francis 2018
Online Access:	http://purl.org/au-research/grants/arc/DP150103487 http://hdl.handle.net/20.500.11937/55118

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