Molecular Dynamics (MD) simulations of nano-scale flows typically utilize fixed lattice crystal interactions between the fluid and stationary wall molecules. This approach cannot properly model thermal exchange at the wall-fluid interface. Therefore, we use an interactive thermal wall model that can properly simulate the flow and heat transfer in nano-scale channels. Using the interactive thermal wall, Fourier law of heat conduction is verified for the 3.24 nm channel, while the thermal conductivity obtained from Fourier law is verified using the predictions of Green-Kubo theory. Moreover, temperature jumps at the liquid/solid interface, corresponding to the well known Kapitza resistance, are observed. Using systematic studies thermal resistance length at the interface is characterized as a function of the surface wettability, thermal oscillation frequency, wall temperature and thermal gradient. An empirical model for the thermal resistance length, which could be used as the jump-coefficient of a Navier boundary condition, is developed.
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ASME 2008 International Mechanical Engineering Congress and Exposition
October 31–November 6, 2008
Boston, Massachusetts, USA
Conference Sponsors:
- ASME
ISBN:
978-0-7918-4874-6
PROCEEDINGS PAPER
Molecular Dynamics Simulations of Thermal Interactions in Nanoscale Liquid Channels
BoHung Kim,
BoHung Kim
Old Dominion University, Norfolk, VA
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Ali Beskok,
Ali Beskok
Old Dominion University, Norfolk, VA
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Tahir Cagin
Tahir Cagin
Texas A&M University, College Station, TX
Search for other works by this author on:
BoHung Kim
Old Dominion University, Norfolk, VA
Ali Beskok
Old Dominion University, Norfolk, VA
Tahir Cagin
Texas A&M University, College Station, TX
Paper No:
IMECE2008-67448, pp. 897-905; 9 pages
Published Online:
August 26, 2009
Citation
Kim, B, Beskok, A, & Cagin, T. "Molecular Dynamics Simulations of Thermal Interactions in Nanoscale Liquid Channels." Proceedings of the ASME 2008 International Mechanical Engineering Congress and Exposition. Volume 13: Nano-Manufacturing Technology; and Micro and Nano Systems, Parts A and B. Boston, Massachusetts, USA. October 31–November 6, 2008. pp. 897-905. ASME. https://doi.org/10.1115/IMECE2008-67448
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