Phonon focusing of elastically scattered phonons in GaAs

The propagation of high-frequency phonons through crystals at low temperatures is characterized by both ballistic and diffusive processes. Ballistic propagation of heat pulses is highly anisotropic due to phonon focusing, while diffusive propagation is expected to be nearly isotropic in cubic crystals. By using phonon imaging techniques, we have attempted to identify the heat flux from ballistic and scattered phonons in GaAs. Comparison of this data to Monte Carlo calculations which incorporate elastic scattering shows that the flux from phonons scattered a few times in the bulk retains a significant degree of anisotropy. In particular, a sharp feature discovered by Stock, Ulbrich, and Fieseler and attributed to ballistic propagation of phonons with frequencies up to 1.5 THz is now identified with the scattering of sub-THz phonons. Our analysis provides insights into the evolution of heat propagation from the ballistic to diffusive regimes.     

Analysis of the radiative transfer equation with highly assymetric phase function

This paper considers a scalar radiative transfer problem with high scattering anisotropy. Two computational methods are presented based on decomposition of the diffuse light field into a regular and anisotropic part. The first algorithm (DOMAS) singles out the anisotropic radiance in the forward scattering peak using the Small-Angle Modification of RTE. The second algorithm (DOM2+) separates the single scattering radiance as an anisotropic part, which largely defines the fine detail of the total radiance in the backscattering directions. In both cases, the anisotropic part is represented analytically. With anisotropy subtraction, the regular part of the signal, which requires a numerical solution, is essentially smoothed as a function of angles. Further, the transport equation is obtained for the regular part that contains an additional source function from the anisotropic part of the signal. This equation is solved with the discrete ordinates method. A conducted numerical analysis of this work showed that algorithm DOMAS has a strong advantage as compared to the standard discrete ordinates method for simulation of the radiance transmission, and DOM2+ is the best of the three for the reflection computations. Both algorithms offer at least a factor of three acceleration of convergence of the azimuthal series for highly anisotropic phase functions.     

The method of lines solution of discrete ordinates method for non-grey media

A radiation code based on method of lines (MOL) solution of discrete ordinates method (DOM) for radiative heat transfer in non-grey absorbing-emitting media was developed by incorporation of a gas spectral radiative property model, namely wide band correlated-k (WBCK) model, which is compatible with MOL solution of DOM. Predictive accuracy of the code was evaluated by applying it to 1-D parallel plate and 2-D axisymmetric cylindrical enclosure problems containing absorbing-emitting medium and benchmarking its predictions against line-by-line solutions available in the literature. Comparisons reveal that MOL solution of DOM with WBCK model produces accurate results for radiative heat fluxes and source terms and can be used with confidence in conjunction with computational fluid dynamics codes based on the same approach.     

Ballistic–diffusive phonon transport and size induced anisotropy of thermal conductivity of silicon nanofilms

The effective thermal conductivity of nanofilms is size dependent due to the diffusive–ballistic transport of phonons. In this paper, we investigate the cross-plane phonon transport from the viewpoint of the phonon Boltzmann equation. A predictive model for the size dependent thermal conductivity is proposed and agrees well with the results of molecular dynamics simulation for silicon nanofilms. The ballistic transport has different effects on the heat conduction in the in-plane or cross-plane directions, which causes the anisotropy of thermal conductivity of nanofilms. Such anisotropy is also size dependent and vanishes with the increase of film thickness.     

A 3-D radiation model for non-grey gases

A three-dimensional radiation code based on method of lines (MOL) solution of discrete ordinates method (DOM) coupled with spectral line-based weighted sum of grey gases (SLW) model for radiative heat transfer in non-grey absorbing-emitting media for use in conjunction with a computational fluid dynamics (CFD) code based on the same approach was developed. The code was applied to three test problems: two containing isothermal homogenous/non-homogenous water vapor and one non-isothermal water vapor/carbon dioxide mixture. Predictive accuracy of the code was evaluated by benchmarking its steady-state predictions against accurate results, calculated by ray tracing method with statistical narrow band model, available in the literature. Comparative testing with solutions of other methods is also provided. Comparisons reveal that MOL solution of DOM with SLW model provides accurate solutions for radiative heat fluxes and source terms and can be used with confidence in conjunction with CFD codes based on MOL.     

Theoretical analysis of porous radiant burners under 2-D radiation field using discrete ordinates method

This paper describes a theoretical study to investigate the heat transfer characteristics of porous radiant burners (PRBs). In the present work, a 2-D rectangular model is used to solve the governing equations for porous medium and gas flow before the premixed flame to the exhaust gas. The gas and the solid phases are considered in non-local thermal equilibrium and combustion in the porous medium is modeled by considering a non-uniform heat generation zone. The homogeneous porous media, in addition to its convective heat exchange with the gas, may absorb, emit and scatter thermal radiation. The radiation effect in the gas flow is neglected but the conductive heat transfer is taken into account. In order to analyze the thermal characteristics of porous burners, the coupled energy equations for the gas and porous medium in steady condition are solved numerically and the discrete ordinates method (DOM) is used to obtain the distribution of radiative heat flux in the porous media. Finally, the effects of various parameters on the performance of porous radiant burners are examined. The present results are compared with some reported theoretical and experimental results by other investigators and good agreement is found.     

A unified Monte Carlo treatment of the transport of electromagnetic energy, electrons, and phonons in absorbing and scattering media

The scalar Boltzmann transport equation (BTE) is often applicable to radiative energy transfer, electron-beam propagation, as well as thermal conduction by electrons and phonons provided that the characteristic length of the system is much larger than the wavelength of energy carriers and that certain interference phenomena and the polarization nature of carriers are ignored. It is generally difficult to solve the BTE analytically unless a series of assumptions are introduced for the particle distribution function and scattering terms. Yet, the BTE can be solved using statistical approaches such as Monte Carlo (MC) methods without simplifying the underlying physics significantly. Derivations of the MC methods are relatively straightforward and their implementation can be achieved with little effort; they are also quite powerful in accounting for complicated physical situations and geometries. MC simulations in radiative transfer, electron-beam propagation, and thermal conduction by electrons and phonons have similar simulation procedures; however, there are important differences in implementing the algorithms and scattering properties between these simulations. The objective of this review article is to present these simulation procedures in detail and to show that it is possible to adapt an existing MC computer code, for instance, in radiative transfer, to account for physics in electron-beam transport or phonon (or electronic thermal) conduction by sorting out the differences and implementing the correct corresponding steps. Several simulation results are presented and some of the difficulties associated with different applications are explained.     

The MAST FV/FE scheme for the simulation of two-dimensional thermohaline processes in variable-density saturated porous media

A novel methodology for the simulation of 2D thermohaline double diffusive processes, driven by heterogeneous temperature and concentration fields in variable-density saturated porous media, is presented. The stream function is used to describe the flow field and it is defined in terms of mass flux. The partial differential equations governing system is given by the mass conservation equation of the fluid phase written in terms of the mass-based stream function, as well as by the advection–diffusion transport equations of the contaminant concentration and of the heat. The unknown variables are the stream function, the contaminant concentration and the temperature. The governing equations system is solved using a fractional time step procedure, splitting the convective components from the diffusive ones. In the case of existing scalar potential of the flow field, the convective components are solved using a finite volume marching in space and time (MAST) procedure; this solves a sequence of small systems of ordinary differential equations, one for each computational cell, according to the decreasing value of the scalar potential. In the case of variable-density groundwater transport problem, where a scalar potential of the flow field does not exist, a second MAST procedure has to be applied to solve again the ODEs according to the increasing value of a new function, called approximated potential. The diffusive components are solved using a standard Galerkin finite element method. The numerical scheme is validated using literature tests.     

Coupled radiation and natural convection: Different approaches of the slw model for a non-gray gas mixture

The coupling between non-gray radiation heat transfer and convection-conduction heat transfer is studied. The spectral line weighted sum of gray gases model (slw) is used to account for non-gray radiation properties. The aim of this work is to analyze the influence of the different approaches used when calculating the parameters of the slw model. Such strategies include the use of optimized model coefficients to reduce the number of operations, and the interpolation of the distribution function instead of the use of mathematical correlations. Non-gray calculations are also compared to gray solutions using the Planck mean absorption coefficient, which can be also calculated with the slw model. The radiative transfer equation (rte) is solved by means of the discrete ordinates method (dom). A natural convection driven cavity is chosen to couple radiation and conduction-convection energy transfer. Several cases, with a significant variation of the ratio between radiation to convection heat transfer, as well as the ratio between radiation to conduction heat transfer, are discussed.     

变系数瞬态热传导问题边界元格式的特征正交分解降阶方法

提出了一种基于边界元法求解变系数瞬态热传导问题的特征正交分解(POD)降阶方法,重组并推导出变系数瞬态热传导问题适合降阶的边界元离散积分方程,建立了变系数瞬态热传导问题边界元格式的POD降阶模型,并用常数边界条件下建立的瞬态热传导问题的POD降阶模态,对光滑时变边界条件瞬态热传导问题进行降阶分析.首先,对一个变系数瞬态热传导问题,建立其边界域积分方程,并将域积分转换成边界积分;其次,离散并重组积分方程,获得可用于降阶分析的矩阵形式的时间微分方程组;最后,用POD模态矩阵对该时间微分方程组进行降阶处理,建立降阶模型并对其求解.数值算例验证了本文方法的正确性和有效性.研究表明:1)常数边界条件下建立的低阶POD模态矩阵,能够用来准确预测复杂光滑时变边界条件下的温度场结果;2)低阶模型的建立,解决了边界元法中采用时间差分推进技术求解大型时间微分方程组时求解速度慢、算法稳定性差的问题.     

间断有限元方法求解一维非平衡辐射扩散方程

研究一维非平衡辐射扩散方程的数值方法.通过求解间断系数热传导方程的广义黎曼问题,得到一种带加权数值流量,基于该数值流量构造了一类新型的间断有限元方法.在时间离散上采用向后Euler方法,形成的非线性方程组采用Picard迭代求解.数值试验表明该方法具有捕捉大梯度的能力,而且能适应扩散系数间断的情形.     

Elliptic PDE formulation and boundary conditions of the spherical harmonics method of arbitrary order for general three-dimensional geometries

The inherent complexity of the radiative transfer equation makes the exact treatment of radiative heat transfer impossible even for idealized situations and simple boundary conditions. Therefore, a wide variety of efficient solution methods have been developed for the RTE. Among these solution methods the spherical harmonics method, the moment method, and the discrete ordinates method provide means to obtain higher-order approximate solutions to the equation of radiative transfer. Although the assembly of the governing equations for the spherical harmonics method requires tedious algebra, their final form promises great accuracy for any given order, since it is a spectral method (rather than finite difference/finite volume in the case of discrete ordinates). In this study, a new methodology outlined in a previous paper on the spherical harmonics method (P_N) is further developed. The new methodology employs successive elimination of spherical harmonic tensors, thus reducing the number of first-order partial differential equations needed to be solved simultaneously by previous P_N approximations (=(N+1)²). The result is a relatively small set (=N(N+1)/2) of second-order, elliptic partial differential equations, which can be solved with standard PDE solution packages. General boundary conditions and supplementary conditions using rotation of spherical harmonics in terms of local coordinates are formulated for the general P_N approximation for arbitrary three-dimensional geometries. Accuracy of the P_N approximation can be further improved by applying the “modified differential approximation” approach first developed for the P₁-approximation. Numerical computations are carried out with the P₃ approximation for several new two-dimensional problems with emitting, absorbing, and scattering media. Results are compared to Monte Carlo solutions and discrete ordinates simulations and a discussion of ray effects and false scattering is provided.     

考虑转动能的一维/二维Boltzmann-Rykov模型方程数值算法

研究考虑转动能的Boltzmann-Rykov模型方程,基于转动自由度对气体分子速度分布函数矩积分,引入约化速度分布函数,应用离散速度坐标法与数值积分技术,将气体运动论模型方程化为在离散速度坐标点处关于三个约化速度分布函数的联立方程组.应用拓展计算流体力学有限差分方法,数值计算考虑转动自由度的双原子气体一维、二维Boltzmann模型方程,得到高、低Knudsen数一维激波管内流动和二维竖直平板绕流问题的流场,分析验证考虑转动能的Boltzmann-Rykov模型方程全流域统一算法求解一维/二维气体流动问题的可靠性.结果表明,气体稀薄程度与分子内自由度对流场具有较大影响,且Knudsen数较高的稀薄气体流动呈现严重的非平衡流动特点.     

多约束纳米结构的声子热导率模型研究

纳米技术的快速发展使得对微纳尺度导热机理的深入研究变得至关重要. 理论和实验都表明, 在纳米尺度下声子热导率将表现出尺寸效应. 基于声子玻尔兹曼方程和修正声子平均自由程的方法得到了多约束纳米结构的声子热导率模型, 可以描述多个几何约束共同作用下热导率的尺寸效应. 不同几何约束对声子输运的限制作用可以分开计算, 总体影响则通过马西森定则进行耦合. 对于热流方向的约束, 采用扩散近似的方法求解声子玻尔兹曼方程; 对于侧面边界约束, 采用修正平均自由程的方法计算边界散射对热导率的影响. 得到的模型能够预测纳米薄膜(法向和面向)及有限长度方形纳米线的热导率随相应特征尺寸的变化. 与蒙特卡罗模拟及硅纳米结构热导率实验值的对比验证了模型的正确性.     

Theoretical study of combined radiative conductive and convective heat transfer in semi-transparent porous medium in a spherical enclosure

A new method for the solution of the radiative transfer equation in spherical media based on a modified discrete ordinates method is extended to study radiative, conductive and convective heat transfer in a semi-transparent scattering porous medium. The set of differential equations is solved using the fourth-order Runge-Kutta method. Various results are obtained for the case of combined radiative and conductive heat transfer, as well as for the interaction of those modes with convection. The effects of some radiative properties of the medium on the heat transfer rate are examined.     

Parallel Jacobian-free Newton Krylov solution of the discrete ordinates method with flux limiters for 3D radiative transfer

The present study introduces a parallel Jacobian-free Newton Krylov (JFNK) general minimal residual (GMRES) solution for the discretized radiative transfer equation (RTE) in 3D, absorbing, emitting and scattering media. For the angular and spatial discretization of the RTE, the discrete ordinates method (DOM) and the finite volume method (FVM) including flux limiters are employed, respectively. Instead of forming and storing a large Jacobian matrix, JFNK methods allow for large memory savings as the required Jacobian-vector products are rather approximated by semiexact and numerical formulations, for which convergence and computational times are presented. Parallelization of the GMRES solution is introduced in a combined memory-shared/memory-distributed formulation that takes advantage of the fact that only large vector arrays remain in the JFNK process. Results are presented for 3D test cases including a simple homogeneous, isotropic medium and a more complex non-homogeneous, non-isothermal, absorbing–emitting and anisotropic scattering medium with collimated intensities. Additionally, convergence and stability of Gram–Schmidt and Householder orthogonalizations for the Arnoldi process in the parallel GMRES algorithms are discussed and analyzed. Overall, the introduction of JFNK methods results in a parallel, yet scalable to the tested 2048 processors, and memory affordable solution to 3D radiative transfer problems without compromising the accuracy and convergence of a Newton-like solution.     

Evaluation of solution methods for radiative heat transfer in gaseous oxy-fuel combustion environments

The exact solution to radiative heat transfer in combusting flows is not possible analytically due to the complex nature of the integro-differential radiative transfer equation (RTE). Many different approximate solution methods for the solution of the RTE in multi-dimensional problems are available. In this paper, two of the principal methods, the spherical harmonics (P₁) and the discrete ordinates method (DOM) are used to calculate radiation. The radiative properties of the gases are calculated using a non-gray gas full spectrum k-distribution method and a gray method. Analysis of the effects of numerical quadrature in the DOM and its effect on computation time is performed. Results of different radiative property methods are compared with benchmark statistical narrow band (SNB) data for both cases that simulate air combustion and oxy-fuel combustion. For both cases, results of the non-gray full spectrum k-distribution method are in good agreement with the SNB data. In the case of oxy-fuel simulations with high partial pressures of carbon dioxide, use of gray method for the radiative properties may cause errors and should be avoided.     

Layer-edge conditions for multislab atmospheric radiative transfer problems

We derive nonstandard layer-edge conditions for efficient solution of multislab atmospheric radiative transfer problems. We begin by defining a local radiative transfer problem on the lowermost layer of a multislab model atmosphere and we consider a standard discrete ordinates version of this local problem. We then make use of a recently developed computational method in order to derive layer-edge conditions involving incident, reflected and transmitted radiation. These layer-edge conditions for the lowermost layer are given in terms of inherent optical properties of the layer, the solar zenith angle and the quadrature set used in the discrete ordinates approach. They can be used to increase the efficiency of our computational method in solving practical problems in atmospheric radiative transfer. Moreover, they are amenable to incorporation into other discrete ordinates methods. To illustrate, we report numerical results for two atmospheric model problems.     

Numerical prediction of heat transfer by natural convection and radiation in an enclosure filled with an isotropic scattering medium

This paper deals with the numerical solution for natural convection and volumetric radiation in an isotropic scattering medium within a heated square cavity using a hybrid thermal lattice Boltzmann method (HTLBM). The multiple relaxation time lattice Boltzmann method (MRT-LBM) has been coupled to the finite difference method (FDM) to solve momentum and energy equations, while the discrete ordinates method (DOM) has been adopted to solve the radiative transfer equation (RTE) using the S8 quadrature. Based on these approaches, the effects of various influencing parameters such as the Rayleigh number (Ra), the wall emissivity (ε_ι), the Planck number (Pl), and the scattering albedo (ω), have been considered. The results presented in terms of isotherms, streamlines and averaged Nusselt number, show that in absence of radiation, the temperature and the flow fields are centro-symmetrics and the cavity core is thermally stratified. However, radiation causes an overall increase in the temperature and velocity gradients along both thermally active walls. The maximum heat transfer rate is obtained when the surfaces of the enclosure walls are regarded as blackbodies. It is also seen that the scattering medium can generate a multicellular flow.     

Transient radiative transfer in the grey case: Well-balanced and asymptotic-preserving schemes built on Case's elementary solutions

An original well-balanced (WB) Godunov scheme relying on an exact Riemann solver involving a non-conservative (NC) product is developed. It is meant to solve accurately the time-dependent one-dimensional radiative transfer equation in the discrete ordinates approximation with an arbitrary even number of velocities. The collision term is thus concentrated onto a discrete lattice by means of Dirac masses; this induces steady contact discontinuities which are integral curves of the stationary problem. One solves it by taking advantage of the method of elementary solutions mainly developed by Case, Zweifel and Cercignani. This approach produces a rather simple scheme that compares advantageously to standard existing upwind schemes, especially for the decay in time toward a Maxwellian distribution. It is possible to reformulate this scheme in order to handle properly the parabolic scaling in order to generate a so-called asymptotic-preserving (AP) discretization. Consistency with the diffusive approximation holds independently of the computational grid. Several numerical results are displayed to show the realizability and the efficiency of the method.