[1]B.Y. Cao*, J.H. Zou, G.J. Hu, G.X. Cao. Enhanced thermal transport across multilayer graphene and water by interlayer functionalization. Applied Physics Letters, 2018, 112: 041603 [2]H. Bao, J. Chen, X.K. Gu, B.Y. Cao*. A review of simulation methods in micro/nanoscale heat conduction. ES Energy & Environment, 2018, 1: 16-55 [3]Y.C. Hua, B.Y. Cao*. Interface-based two-way tuning of the in-plane thermal transport in nanofilms. Journal of Applied Physics, 2018, 123: 114304 [4]H.L. Li, Y.C. Hua, B.Y. Cao*. A hybrid phonon Monte Carlo-diffusion method for ballistic-diffusive heat conduction in nano- and micro- structures. International Journal of Heat and Mass Transfer, 2018, 127: 1014-1022 [5]B.D. Nie, B.Y. Cao*. Reflection and refraction of a thermal wave at an ideal interface. International Journal of Heat and Mass Transfer, 2018, 116: 314-328 [6]X.M. Yang*, J.X. Xu, S.H. Wu, M. Yu, B. Hu, B.Y. Cao*, J.H. Li. A molecular dynamics simulation study of PVT properties for H2O/H2/CO2 mixtures in near-critical and supercritical regions of water. International Journal of Hydrogen Energy, 2018, 43(24): 10980-10990 [7]C. Si, L. Li, G. Lu, B.Y. Cao*, et al. A comprehensive analysis about thermal conductivity of multi-layer graphene with N-doping, -CH3 group and single vacancy. Journal of Applied Physics, 2018, 123: 135101 [8]Z.Q. Ye, B.Y. Cao*. Thermal rectification at the bimaterial nanocontact interface. Nanoscale, 2017, 9: 11480-11487 [9]J.H. Zou, B.Y. Cao*. Phonon thermal properties of graphene on h-BN from molecular dynamics simulations. Applied Physics Letters, 2017, 110: 103106 [10]Y.C. Hua, B.Y. Cao*. Slip boundary conditions in ballistic-diffusive heat transport in nanostructures. Nanoscale and Microscale Thermophysical Engineering, 2017, 21(3): 159-176 [11]Y.C. Hua, B.Y. Cao*. An efficient two-step Monte Carlo method for phonon heat conduction in nanostructures. Journal of Computational Physics, 2017, 342: 253–266 [12]Y.C. Hua, B.Y. Cao*. Anisotropic heat conduction in two-dimensional periodic silicon nanoporous films. The Journal of Physical Chemistry C, 2017, 121(9): 5293–5301 [13]Y.C. Hua, B.Y. Cao*. Cross-plane heat conduction in nanoporous silicon thin films by phonon Boltzmann transport equation and Monte Carlo simulations. Applied Thermal Engineering, 2017, 111: 1401-1408 [14]D.S. Tang, B.Y. Cao*. Superballistic characteristics of transient phonon ballistic-diffusive conduction. Applied Physics Letters, 2017, 111: 113109 [15]D.S. Tang, B.Y. Cao*. Ballistic thermal wave propagation along nanowires modeled using phonon Monte Carlo simulations. Applied Thermal Engineering, 2017, 117: 609–616 [16]S.N. Li, B.Y. Cao*. Mathematical and information-geometrical entropy for phenomenological Fourier and non-Fourier heat conduction. Physical Review E, 2017, 96(3): 032131 [17]X.M. Yang*, D.P. Yu, B.Y. Cao*. Giant thermal rectification from single-carbon nanotube–graphene junction. ACS Applied Materials & Interfaces, 2017, 9(28): 24078–24084 [18]X.M. Yang*, Y.H. Huang, B.Y. Cao*, A.C. To. Ultrahigh thermal rectification in pillared graphene structure with carbon nanotube-graphene intramolecular junctions. ACS Applied Materials & Interfaces, 2017, 9: 29？35 [19]J.F. Xie, B.Y. Cao*. Fast nanofluidics by travelling surface waves. Microfluidics and Nanofluidics, 2017, 21: 111 [20]C. Si, G. Lu, B.Y. Cao*, et al. Effects of torsion on the thermal conductivity of multi-layer graphene. Journal of Applied Physics, 2017, 121: 205102 [21]B.Y. Cao*, W.J. Yao, Z.Q. Ye. Networked nanoconstrictions: An effective route to tuning the thermal transport properties of graphene. Carbon, 2016, 96: 711-719 [22]B.Y. Cao*, M. Yang, G.J. Hu. Capillary filling dynamics of polymer melts in nanopores: Experiments and rheological modelling. RSC Advances, 2016, 6: 7553-7559 [23]J.H. Zou, Z.Q. Ye, B.Y. Cao*. Phonon thermal properties of graphene from molecular dynamics using different potentials. The Journal of Chemical Physics, 2016, 145: 134705 [24]Z.Q. Ye, B.Y. Cao*. Nanoscale thermal cloaking in graphene by chemical functionalization. Physical Chemistry Chemical Physics, 2016, 18: 32952 - 32961 [25]Y.C. Hua, B.Y. Cao*. The effective thermal conductivity of ballistic–diffusive heat conduction in nanostructures with internal heat source. International Journal of Heat and Mass Transfer, 2016, 92: 995-1003 [26]Y.C. Hua, B.Y. Cao*. Ballistic-diffusive heat conduction in multiply-constrained nanostructures. International Journal of Thermal Sciences, 2016, 101: 126-132 [27]S.N. Li, B.Y. Cao*. Generalized variational principles for heat conduction models based on Laplace transform. International Journal of Heat and Mass Transfer, 2016, 103: 1176–1180 [28]D.S. Tang, Y.C. Hua, B.Y. Cao*. Thermal wave propagation through nanofilms in ballistic-diffusive regime by Monte Carlo simulations. International Journal of Thermal Sciences, 2016, 109: 81-89 [29]D.S. Tang, Y.C. Hua, B.D. Nie, B.Y. Cao*. Phonon wave propagation in ballistic-diffusive regime. Journal of Applied Physics, 2016, 119: 124301 [30]Z.Q. Ye, B.Y. Cao*, W.J. Yao, T.L. Feng, X.L. Ruan*. Spectral phonon thermal properties in graphene nanoribbons. Carbon, 2015, 93: 915-523 [31]R.Y. Dong, B.Y. Cao*. Superhigh-speed unidirectional rotation and its decoupled dynamics of a carbon nanotube in a sheared fluid. RSC Advances, 2015, 5: 88719 - 88724 [32]T.L. Feng, X.L. Ruan, Z.Q. Ye, B.Y. Cao*. Spectral phonon mean free path and thermal conductivity accumulation in defected graphene: The effects of defect type and concentration. Physical Review B, 2015, 91(22): 224301 [33]R.Y. Dong, Y. Zhou, C. Yang, B.Y. Cao*. Translational thermophoresis and rotational movement of peanut-like colloids under temperature gradient. Microfluidics and Nanofluidics, 2015, 19(4): 805-811 [34]B.Y. Cao*, R.Y. Dong. Molecular dynamics calculation of rotational diffusion coefficient of a carbon nanotube in fluid. The Journal of Chemical Physics, 2014, 140: 034703 [35]R.Y. Dong, B.Y. Cao*. Anomalous orientations of a rigid carbon nanotube in a sheared fluid. Scientific Reports, 2014, 4: 6120 [36]Z.Q. Ye, B.Y. Cao*, Z.Y. Guo. High and anisotropic thermal conductivity of body-centered tetragonal C4 calculated using molecular dynamics. Carbon, 2014, 66: 567-575 [37]Y.C. Hua, B.Y. Cao*. Phonon ballistic-diffusive heat conduction in silicon nanofilms by Monte Carlo simulations. International Journal of Heat and Mass Transfer, 2014, 78: 755-759 [38]M.K. Zhang, B.Y. Cao*, et al. Numerical studies on damping of thermal waves. International Journal of Thermal Sciences, 2014, 84: 9-20 [39]B.Y. Cao*, J. Kong, et al. Polymer nanowire arrays with high thermal conductivity and superhydrophobicity fabricated by a nano-moulding technique. Heat Transfer Engineering, 2013, 34(2-3): 131-139 [40]G.J. Hu, B.Y. Cao*. Thermal resistance between crossed carbon nanotubes: Molecular dynamics simulations and analytical modeling. Journal of Applied Physics, 2013, 114: 224308 [41]B.Y. Cao*, R.Y. Dong. Nonequilibrium molecular dynamics simulation of shear viscosity by a uniform momentum source-and-sink scheme. Journal of Computational Physics, 2012, 231(16): 5306-5316 [42]B.Y. Cao, J.F. Xie, S.S. Sazhin*. Molecular dynamics study on evaporation and condensation of n-dodecane at liquid-vapour phase equilibria. The Journal of Chemical Physics, 2011, 134(16): 164309 [43]B.Y. Cao*, Y.W. Li, J. Kong, et al. High thermal conductivity of polyethylene nanowire arrays fabricated by an improved nanoporous template wetting technique. Polymer, 2011, 52(8): 1711-1715 [44]B.Y. Cao*, Y.W. Li. A uniform source-and-sink scheme for calculating thermal conductivity by nonequilibrium molecular dynamics. The Journal of Chemical Physics, 2010, 133(2): 024106 [45]B.Y. Cao*, J. Sun, M. Chen, Z.Y. Guo. Molecular momentum transport at fluid-solid interfaces in MEMS/NEMS: A review. International Journal of Molecular Sciences, 2009, 10(11): 4638-4706 [46]Q.W. Hou, B.Y. Cao*, Z.Y. Guo. Thermal gradient induced actuation in double-walled carbon nanotubes. Nanotechnology, 2009, 20(49): 495503 [47]B.Y. Cao*. Nonequilibrium molecular dynamics calculation of the thermal conductivity based on an improved relaxation scheme. The Journal of Chemical Physics, 2008, 129(17): 074106 [48]B.Y. Cao, Z.Y. Guo*. Equation of motion of phonon gas and non-Fourier heat conduction. Journal of Applied Physics, 2007, 102(5): 053503 [49]B.Y. Cao*, M. Chen, Z.Y. Guo. Liquid flow in surface-nanostructured channels studied by molecular dynamics simulation. Physical Review E, 2006, 74(6): 066311 [50]B.Y. Cao, M. Chen*, Z.Y. Guo. Temperature dependence of the tangential momentum accommodation coefficient for gases. Applied Physics Letters, 2005, 86(9): 091905.
