Tersoff

forcefield id: 4

added on 2016-02-01 10:29:39 by galmarin


name
Tersoff

authors
Sandra Galmarini

description

An empirical interatomic potential is introduced, which gives a convenient and relatively accurate description of the structural properties and energetics of carbon, including elastic properties, phonons, polytypes, and defects and migration barriers in diamond and graphite. The potential is applied to study amorphous carbon formed in three different ways. Two resulting structures are similar to experimental a-C, but another more diamondlike form has essentially identical energy. The liquid is also found to have unexpected properties.


versions
  • [not yet implemented]
variants
  • none
referring
  • none

potential terms
elements
  • none
implementations
  • none

references
  • none
files
  • none


OpenKIM link
None

NIST link
None

calculations