Limitations of Applicability of the Green-Kubo Approach for Calculating the Thermal Conductivity of a Confined Liquid in Computer Simulations

• Autorzy: Hyżorek K. , Tretiakov K. V.

Identyfikatory

DOI

10.12921/cmst.2016.0000054

• Języki publikacji: EN

Abstrakty

EN

: Thermal conductivity (λ) of the Lennard-Jones liquid in cylindrical nanochannels has been determined using the Green-Kubo (GK) approach in equilibrium Molecular Dynamics simulations. Good convergence of λ(τ ) has been observed along the nanochannel’s axis where the periodic boundary conditions are applied. However, it has been found that the estimation of limiting value of λ(τ ) in the transverse direction, where walls confine the liquid, is ambiguous.

Słowa kluczowe

EN

Green-Kubo method; thermal conductivity; simple liquids; nanochannels; molecular dynamics simulations

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2016
• Tom: Vol. 22, No. 4
• Strony: 197--200
• Opis fizyczny: Bibliogr. 14 poz., rys.

Twórcy

autor

Hyżorek K.

• Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznańn, Poland

autor

Tretiakov K. V.

• President St. Wojciechowski PWSZ in Kalisz Nowy Swiat 4, 62-800 Kalisz, Poland

Bibliografia

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• [8] M. Frank, D. Drikakis, N. Asproulis, Thermal conductivity of nanofluid in nanochannels, Microfluid. Nanofluid. 19(5), 1011-1017 (2015).
• [9] K. Hyzorek, K.V. Tretiakov, ˙ Thermal conductivity of liquid argon in nanochannels from molecular dynamics simulations, J. Chem. Phys. 144, 194507 (2016).
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• [14] K.V. Tretiakov, S. Scandolo, Thermal conductivity of solid argon for molecular dynamics simulations, J. Chem. Phys. 120(8), 3765-3769 (2004).

Uwagi

PL

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.