Thermal conductivity of ionic systems from equilibrium molecular dynamics.

Thermal conductivity of ionic systems from equilibrium molecular dynamics.

Thermal conductivities of ionic compounds (NaCl, MgO, Mg(2)SiO(4)) are calculated from equilibrium molecular dynamics simulations using the Green-Kubo method. Transferable interaction potentials including many-body polarization effects are employed. Various physical conditions (solid and liquid stat...

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Bibliographic Details
Main Authors:	Salanne, M, Marrocchelli, D, Merlet, C, Ohtori, N, Madden, P
Format:	Journal article
Language:	English
Published:	2011

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