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• W2885102986 abstract "The thermal conductivity of classical multicomponent fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies, and it is ill conditioned numerically, when evaluated from the Green-Kubo theory of linear response. To cope with these two problems, we introduce two new concepts: a convective invariance principle for transport coefficients, in the first case, and multivariate cepstral analysis, in the second. A combination of these two concepts allows one to substantially reduce the noise affecting the estimate of the thermal conductivity from equilibrium molecular dynamics, even for one-component systems." @default.
• W2885102986 created "2018-08-22" @default.
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• W2885102986 date "2019-06-28" @default.
• W2885102986 modified "2023-09-30" @default.
• W2885102986 title "Theory and Numerical Simulation of Heat Transport in Multicomponent Systems" @default.
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• W2885102986 doi "https://doi.org/10.1103/physrevlett.122.255901" @default.
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• W2885102986 hasPublicationYear "2019" @default.
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