Unification of nonequilibrium molecular dynamics and the mode-resolved phonon Boltzmann equation for thermal transport simulations

作者: Yue Hu , Tianli Feng , Xiaokun Gu , Zheyong Fan , Xufeng Wang

DOI: 10.1103/PHYSREVB.101.155308

关键词:

摘要: Nano-size confinement induces many intriguing non-Fourier heat conduction phenomena, such as nonlinear temperature gradients, temperature jumps near the contacts, and size-…

参考文章(69)
Davide Donadio, Ari Harju, Zheyong Fan, Luiz Felipe C. Pereira, Hui-Qiong Wang, Jin-Cheng Zheng, Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations Physical Review B. ,vol. 92, pp. 094301- ,(2015) , 10.1103/PHYSREVB.92.094301
D. P. Sellan, E. S. Landry, J. E. Turney, A. J. H. McGaughey, C. H. Amon, Size effects in molecular dynamics thermal conductivity predictions Physical Review B. ,vol. 81, pp. 214305- ,(2010) , 10.1103/PHYSREVB.81.214305
Patrick K. Schelling, Simon R. Phillpot, Pawel Keblinski, Comparison of atomic-level simulation methods for computing thermal conductivity Physical Review B. ,vol. 65, pp. 144306- ,(2002) , 10.1103/PHYSREVB.65.144306
Jun Liu, Ronggui Yang, Tuning the thermal conductivity of polymers with mechanical strains Physical Review B. ,vol. 81, pp. 174122- ,(2010) , 10.1103/PHYSREVB.81.174122
J. R. Lukes, D. Y. Li, X.-G. Liang, C.-L. Tien, Molecular Dynamics Study of Solid Thin-Film Thermal Conductivity Journal of Heat Transfer-transactions of The Asme. ,vol. 122, pp. 536- 543 ,(2000) , 10.1115/1.1288405
Sreekant V. J. Narumanchi, Jayathi Y. Murthy, Cristina H. Amon, Submicron heat transport model in silicon accounting for phonon dispersion and polarization Journal of Heat Transfer-transactions of The Asme. ,vol. 126, pp. 946- 955 ,(2004) , 10.1115/1.1833367
J. E. Turney, E. S. Landry, A. J. H. McGaughey, C. H. Amon, Predicting phonon properties and thermal conductivity from anharmonic lattice dynamics calculations and molecular dynamics simulations Physical Review B. ,vol. 79, pp. 064301- ,(2009) , 10.1103/PHYSREVB.79.064301
William G. Hoover, Canonical dynamics: Equilibrium phase-space distributions Physical Review A. ,vol. 31, pp. 1695- 1697 ,(1985) , 10.1103/PHYSREVA.31.1695
Ming Hu, Pawel Keblinski, Patrick K. Schelling, Kapitza conductance of silicon–amorphous polyethylene interfaces by molecular dynamics simulations Physical Review B. ,vol. 79, pp. 104305- ,(2009) , 10.1103/PHYSREVB.79.104305