Search Results for author: Lucas Hale

Found 1 papers, 1 papers with code

Assessment of Vacancy Formation and Surface Energies of Materials using Classical Force-Fields

1 code implementation3 Apr 2018 Kamal Choudhary, Adam J. Biacchi, Supriyo Ghosh, Lucas Hale, Angela R. Hight Walker, Francesca Tavazza

Using some of the example cases, we show how our data can be used to directly compare different FFs for a material and to interpret experimental findings such as using Wulff construction for predicting equilibrium shape of nanoparticles.

Materials Science

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