A tight-binding molecular dynamics study of the noble metals Cu, Ag and Au
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DOI: 10.1016/j.commatsci.2018.01.046
Abstract: Abstract We have used the Naval Research Lab (NRL) tight-binding (TB) method to study the electronic and mechanical properties of the noble metals. In order to perform molecular dynamics simulations, we used new TB parameters… read more here.
Keywords: tight binding; dynamics study; molecular dynamics; binding molecular ... See more keywords