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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Detalles Bibliográficos
Autores principales: Salanne, M, Marrocchelli, D, Merlet, C, Ohtori, N, Madden, P
Formato: Journal article
Lenguaje:English
Publicado: 2011