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Bedrov, Dmitro; Smith, Grant D. | Thermal conductivity of molecular fluids from molecular dynamics simulations: application of a new imposed-flux method | We have applied a new nonequilibrium molecular dynamics (NEMD) method [F. Müller-Plathe, J. Chem. Phys. 106, 6082 (1997)] previously applied to monatomic Lennard-Jones fluids in the determination of the thermal conductivity of molecular fluids. The method was modified in order to be applicable to... | Thermal conductivity; Molecular fluids; Heat flux; Imposed-flux NEMD method | 2000 |
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Mattis, Daniel C. | Phonon free path in an isotopic mixture | A time-dependent perturbation theory is developed for the classical laws of motion of a crystal lattice. This is applied to the case of a cubic crystal which is chemically pure but contains various isotopic constituents. The random variations in the masses of neighboring atoms scatter plane wave p... | Crystal lattice; Thermal conductivity | 1957-05 |
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