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Beyond special quasirandom structures: free energies from energy cumulants

Müller, Yann L. et al.
arXiv (All) · Papers
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materials-science
Predicting the finite-temperature stability of a disordered phase requires its free energy. It is traditionally approximated by combining the energy of a special quasirandom structure (a small cell mimicking a random alloy) with the ideal configurational entropy. This approximation neglects the shor
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