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- W4221157230 abstract "We re-derive the expression for the heat current for a classical system subject to periodic boundary conditions and show that it can be written as a sum of two terms. The first term is a time derivative of the first moment of the system energy density while the second term is expressed through the energy transfer rate through the periodic boundary. We show that in solids the second term alone leads to the same thermal conductivity as the full expression for the heat current when used in the Green-Kubo approach. More generally, energy passing though any surface formed by translation of the original periodic boundary can be used to calculate thermal conductivity. These statements are verified for two systems: crystalline argon and crystals of argon and krypton forming an interface." @default.
- W4221157230 created "2022-04-03" @default.
- W4221157230 creator A5053127682 @default.
- W4221157230 date "2022-02-10" @default.
- W4221157230 modified "2023-09-29" @default.
- W4221157230 title "On the definition of heat current for periodic systems and its implications for simulations of thermal conductivity in solids" @default.
- W4221157230 doi "https://doi.org/10.48550/arxiv.2202.05196" @default.
- W4221157230 hasPublicationYear "2022" @default.
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