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Published in 2020 at "npj Computational Materials"
DOI: 10.1038/s41524-020-0329-2
Abstract: We present an alternative and, for the purpose of non-crystalline materials design, a more suitable description of covalent and ionic glassy solids as statistical ensembles of crystalline local minima on the potential energy surface. Motivated…
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Keywords:
ensemble crystalline;
statistical ensemble;
solid statistical;
local minima ... See more keywords
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Published in 2021 at "Scientific reports"
DOI: 10.1038/s41598-021-94013-x
Abstract: Within the theory of statistical ensemble, the so-called [Formula: see text] ensemble describes equilibrium systems that exchange energy, particles, and volume with the surrounding. General, model-independent features of volume and particle number statistics are derived.…
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Keywords:
volume;
particle number;
statistical ensemble;
see text ... See more keywords