Diverse anisotropy of phonon transport in two-dimensional IV-VI compounds: A comparative study

New classes two-dimensional (2D) materials beyond graphene, including layered and non-layered, and their heterostructures, are currently attracting increasing interest due to their promising applications in nanoelectronics, optoelectronics and clean energy, where thermal transport property is one of the fundamental physical parameters. In this paper, we systematically investigated the phonon transport properties of 2D orthorhombic group IV-VI compounds of $GeS$, $GeSe$, $SnS$ and $SnSe$ by solving the Boltzmann transport equation (BTE) based on first-principles calculations. Despite the similar puckered (hinge-like) structure along the armchair direction as phosphorene, the four monolayer compounds possess diverse anisotropic properties in many aspects, such as phonon group velocity, Young's modulus and lattice thermal conductivity ($\kappa$), etc. Especially, the $\kappa$ along the zigzag and armchair directions of monolayer $GeS$ shows the strongest anisotropy while monolayer $SnS$ and $SnSe$ shows an almost isotropy in phonon transport. The origin of the diverse anisotropy is fully studied and the underlying mechanism is discussed in detail. With limited size, the $\kappa$ could be effectively lowered, and the anisotropy could be effectively modulated by nanostructuring, which would extend the applications in nanoscale thermoelectrics and thermal management. Our study offers fundamental understanding of the anisotropic phonon transport properties of 2D materials, and would be of significance for further study, modulation and aplications in emerging technologies.Comment: 14 pages, 8 figures, 2 table

Numerical investigations on interactions between 2D/3D conical shock wave and axisymmetric boundary layer at Ma=2.2

Numerical simulation and analysis are carried out on interactions between a 2D/3D conical shock wave and an axisymmetric boundary layer with reference to the experiment by Kussoy et al., in which the shock was generated by a 15-deg half-angle cone in a tube at 15-deg angle of attack (AOA). Based on the RANS equations and Menter's SST turbulence model, the present study uses the newly developed WENO3-PRM211 scheme and the PHengLEI CFD platform for the computations. First, computations are performed for the 3D interaction corresponding to the conditions of the experiment by Kussoy et al., and these are then extended to cases with AOA = 10-deg and 5-deg. For comparison, 2D axisymmetric counterparts of the 3D interactions are investigated for cones coaxial with the tube and having half-cone angles of 27.35-deg, 24.81-deg, and 20.96-deg. The shock wave structure, vortex structure, variable distributions, and wall separation topology of the interaction are computed. The results show that in 2D/3D interactions, a new Mach reflection-like event occurs and a Mach stem-like structure is generated above the front of the separation bubble, which differs from the model of Babinsky for 2D planar shock wave/boundary layer interaction. A new interaction model is established to describe this behavior. The relationship between the length of the circumferentially unseparated region in the tube and the AOA of the cone indicates the existence of a critical AOA at which the length is zero, and a prediction of this angle is obtained using an empirical fit, which is verified by computation. The occurrence of side overflow in the windward meridional plane is analyzed, and a quantitative knowledge is obtained. To elucidate the characteristics of the 3D interaction, the scale and structure of the vortex and the pressure and friction force distributions are presented and compared with those of the 2D interaction