Identifying interatomic potentials for the accurate modeling of interfacial segregation and structural transitions
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DOI: 10.1016/j.commatsci.2018.02.020
Abstract: Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the important factors that interatomic… read more here.
Keywords: segregation structural; potentials accurate; structural transitions; interatomic potentials ... See more keywords