Isothermal and adiabatic elastic constants from virial fluctuations.
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DOI: 10.1103/physreve.106.044110
Abstract: We derive expressions for classical isothermal and adiabatic elastic constants for periodic systems with the boundary contributions included explicitly. The potential-dependent part of these expressions is written in terms of potential energies of atomic groups… read more here.
Keywords: born term; isothermal adiabatic; elastic constants; constants virial ... See more keywords