Energy conserving dissipative particle dynamics study of phonon heat transport in thin films

• Published in: International journal of heat and mass transfer Vol. 97; pp. 279 - 288
• Main Authors: Zhang, Yi-Xin, Luo, Xiao-Ping, Yi, Hong-Liang, Tan, He-Ping
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.06.2016
• Subjects: Dissipative particle dynamics; eDPD; Effective thermal conductivity; Heat transfer; Mathematical analysis; Mathematical models; Phonon heat transport; Phonons; Scattering; Temperature jump; Thermal conductivity; Thickness; Thin films; Transport; Phonon heat transport; Effective thermal conductivity; Temperature jump; eDPD; Dissipative particle dynamics
• ISSN: 0017-9310; 1879-2189
• DOI: 10.1016/j.ijheatmasstransfer.2016.02.008

•eDPD is developed to investigate phonon heat transport.•A formula between mesoscopic friction and thermal diffusivity is proposed.•The developed eDPD method can effectively predict temperature jump.•The developed eDPD method is extensible to more other microscale problems. Phonon heat transport in thin films is solved by using dissipative particle dynamics with energy conserving (eDPD), and the size effect on thermal conductivity is analyzed. When the thickness of a film is comparable with the phonon mean free path, boundary scattering becomes dominant. To incorporate both the phonon–phonon scattering effect and phonon-boundary scattering effect, we adopt a particle–particle collision flux model and a particle–wall collision flux model in eDPD. Using these models, we investigated the heat transport between two parallel and infinite plates for 0.1<Kn<10 where the heat transport is both ballistic and diffusive. The temperature jump is observed at the boundaries and the temperature profiles are in good agreement with the solution to the equation of phonon radiative transport (EPRT). Moreover, we vary the thickness of the film and calculate the corresponding effective thermal conductivity to investigate the size influence. The present results are compared with the simple analytical solution based on Matthiessen’s rule and the effective thermal conductivity equation derived from the EPRT and it is found that the effective thermal conductivity can be predicted correctly by eDPD.