Molecular Dynamics Simulations of Coupling between Flow and Heat Transfer in a Nanochannel

Abstract:

Simulation of microscale thermo-fluidic transport has attracted considerable attention in recent years owing to rapid advances in nanoscience and nanotechnology. The three-dimensional molecular dynamics simulations are performed for coupling between flow and heat transfer in a nanochannel. Effects of interface wettability, shear rate and wall temperature are discussed. It is found that there exist the relatively immobile solid-like layers adjacent to each solid wall with higher number density. Both slip length and Kapitza length at the solid-liquid interface increase linearly with the increasing wall temperature. The Kapitza length decreases monotonously with the increasing shear rates. The slip length is found to be overestimated by 5.10% to 10.27%, while Kapitza length is overestimated by 8.92% to 19.09% for the solid-solid interaction modeled by the Lennard-Jones potential.

• Periodical: Advanced Materials Research (Volumes 455-456)
• Pages: 155-160
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.455-456.155
• Online since: January 2012
• Authors: Zhi Hai Kou, Min Li Bai
• Keywords: Energy Saving, Flow Transfer, Heat Transfer, Molecular Dynamics (MD) Simulation, Nanochannel, Sustainable Development

References

[1] D. G. Rickerby, and M. Morrison, Nanotechnology and the environment: A European perspective, Sci. Technol. Adv. Mater., vol. 8, pp.19-24, (2007).

[2] P.A. Thompson, and S.M. Troian, A general boundary condition for liquid flow at solid surfaces, Nature, vol. 389, pp.360-362, Sep. (1997).

DOI: 10.1038/38686

[3] M. Cieplak, J. Koplik, and J. R. Banavar, Boundary conditions at a fluid-solid interface, Phys Rev Lett, vol. 86, no. 5, pp.803-806, Jan. (2001).

DOI: 10.1103/physrevlett.86.803

[4] G. Nagayama, and P. Cheng, Effects of interface wettability on microscale flow by molecular dynamics simulation, Int. J. Heat Mass Transfer, vol. 47, pp.501-513, (2004).

DOI: 10.1016/j.ijheatmasstransfer.2003.07.013

[5] N. V. Priezjev, A. A. Darhuber, and S. M. Troian, Slip behavior in liquid films on surfaces of patterned wettability: Comparison between continuum and molecular dynamics simulations, Physical Review E, vol. 71, p.041608, (2005).

DOI: 10.1103/physreve.71.041608

[6] X. F. Yang, and Z. Q. C. Zheng, Effects of Channel Scale on Slip Length of Flow in Micro/Nanochannels, ASME J. Fluids Engineering, vol. 132, p.061201, Jun. (2010).

DOI: 10.1115/1.4001619

[7] L. Xue, P. Keblinski, S.R. Phillpot, S.U.S. Choi, and J.A. Eastman, Two regimes of thermal resistance at a liquid-solid interface, J. Chem. Phys., vol. 118, no. 1, pp.337-339, Jan. (2003).

DOI: 10.1063/1.1525806

[8] T. Ohara, and D. Suzuki, Intermolecular energy transfer at a solid-liquid interface, Micro. Thermophys. Eng., vol. 4, pp.189-196, (2000).

[9] S. Murad, and I. K. Puri, Thermal transport across nanoscale solid-fluid interfaces, Applied Physics Letters, vol. 92, p.133105, (2008).

DOI: 10.1063/1.2905281

[10] B. H. Kim, A. Beskok, and T. Cagin, Molecular dynamics simulations of thermal resistance at the liquid-solid interface, J. Chem. Phys., vol. 129, p.174701, (2008).

DOI: 10.1063/1.3001926

[11] W. Loose, and S. Hess, Rheology of dense fluids via nonequlibrium molecular hydrodynamics: Shear thinning and ordering transition, Rheologica Acta, vol. 48, pp.91-101, (1989).

DOI: 10.1007/bf01356970