Articles with "developing atomistic" as a keyword



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Developing atomistic glass models using potential-free Monte Carlo method: From simple to complex structures

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Published in 2022 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2021.110943

Abstract: We propose here a method to generate random networked amorphous structure using only readily available short-range properties like bond lengths, bond angles and connectivity of the constituents. This method is a variant of MonteCarlo (MC)… read more here.

Keywords: glass models; glass; models using; method ... See more keywords