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Thermal conductivity of molecular fluids from molecular dynamics simulations: Application of a new imposed-flux method

✍ Scribed by Bedrov, Dmitry; Smith, Grant D.

Book ID
121853657
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
219 KB
Volume
113
Category
Article
ISSN
0021-9606

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The thermal conductivity of molten sodium chloride and potassium chloride has been computed through equilibrium molecular dynamics Green-Kubo simulations in the microcanonical ensemble (N,V,E). In order to access the temperature dependence of the thermal conductivity coefficient of these materials,