On the Convergence of the Boltzmann Equation for Semiconductors Toward the Energy Transport Model

The diffusion limit of the Boltzmann equation of semiconductors is analyzed. The dominant collisions are the elastic collisions on one hand and the electron–electron collisions with the Pauli exclusion terms on the other hand. Under a nondegeneracy hypothesis on the distribution function, a lower bound of the entropy dissipation rate of the leading term of the Boltzmann kernel for semiconductors in terms of a distance to the space of Fermi–Dirac functions is proved. This estimate and a mean compactness lemma are used to prove the convergence of the solution of the Boltzmann equation to a solution of the energy transport model.     

A Model of Heat Conduction

In this paper, we first define a deterministic particle model for heat conduction. It consists of a chain of N identical subsystems, each of which contains a scatterer and with particles moving among these scatterers. Based on this model, we then derive heuristically, in the limit of N → ∞ and decreasing scattering cross-section, a Boltzmann equation for this limiting system. This derivation is obtained by a closure argument based on memory loss between collisions. We then prove that the Boltzmann equation has, for stochastic driving forces at the boundary, close to Maxwellians, a unique non-equilibrium steady state.     

半导体中的输运过程

半导体的输运性质直接决定了半导体器件的性能，如响应时间、截止频率等，因此与半导体器件发展的同时，人们对半导体的输运性质进行了广泛的实验和理论研究。文章根据半导体物理的发展历史，分体半导体输运、调制掺杂异质结输运、超晶格微带输运、弹道输运以及介质系统输运等几个方面来讨论这一问题。     

Effects of Screening and Finite Phonon Energy on the Transport in Quantized Layers in Compound Semiconductors

Analytical expressions for the momentum relaxation times of the conduction electrons in a non-degenerate two dimensional electron gas in the surface of a compound semiconductor have been obtained for interactions with the piezoelectric and deformation potential acoustic phonons taking due account of the screening of the perturbing potential under the the condition of low lattice temperature when the phonon energy cannot be neglected in comparison to the average thermal energy of the electrons and for that matter the equipartition approximation for the phonon distribution is hardly valid. The relaxation times calculated for inversion layers in GaAs and ZnO are found to depend upon the carrier energy, the lattice temperature and the impurity concentration in rather complex manners which are significantly different from what follows from the traditional approach of either neglecting the phonon energy or disregarding the process of screening. It is seen how the finite value of the phonon energy and the screening of the perturbing potential change the mobility characteristics significantly at the low lattice temperatures. The temperature dependence of the zero field mobility that one obtains using the relaxation times calculated here is quite different from the traditional laws.     

Asymmetric Heat Conduction in One-Dimensional Hard-Point Model with Mass Gradient

The heat conduction in a one-dimensional （1D） hard-point model with mass gradient is studied. Using numerical simulation, we find an asymmetric heat conduction in this model with greater heat current in the direction of mass increase. The increase of temperature gradient, mass gradient and system size axe found to enhance the asymmetric heat conduction. Based on the collision dynamic of a haxd-point particle, we give a qualitative explanation for the underlying mechanism of asymmetric effect.     

飞秒激光辐照下硅薄膜的非傅里叶能量输运研究

 在双曲双步输运模型基础上建立数值模型,针对超短脉冲激光作用下硅薄膜的微观能量输运过程展开理论研究。针对电子、晶格超快温升响应过程的数值模拟结果表明,电子作为主要能量载子在几皮秒内主导了能量输运过程。电声子之间的能量耦合系数主要依赖于电子温度,而不是晶格温度。能量耦合过程由于非平衡电子的弹道式输运而呈现非局域性。热波的传播速度与电子能量传播速度有相同量级,而大于硅材料中的声子平均速度。模型预测与相关实验结果吻合。     

Negative Thermal Transport in Conduction and Advection

Negative refractive index has drawn a great deal of attention due to its unique properties and practical applications in wave systems. To promote the related physics in thermotics, here we manage to coin a complex thermal conductivity whose imaginary part corresponds to the real part of complex refractive index. Therefore, the thermal counterpart of negative refractive index is just negative imaginary thermal conductivity, which is featured by the opposite directions of energy flow and wave vector in thermal conduction and advection, thus called negative thermal transport herein. To avoid violating causality, we design an open system with energy exchange and explore three different cases to reveal negative thermal transport. We further provide experimental suggestions with a solid ring structure. All finite-element simulations agree with theoretical analyses, indicating that negative thermal transport is physically feasible. These results have potential applications such as designing the inverse Doppler effect in thermal conduction and advection.     

Positron Energy Levels in Cd-Based Semiconductors

Using the full potential linearized augmented plane wave FP-LAPW method within local density ap-proximation LDA, we have studied positron diffusion and surface emission in Cd-based semiconductors. This requires the calculation of electron and positron band structures. In the absence of experimental and theoretical data for CdX (X=S,Se,Te) we have treated the Si, which has been studied by several authors, as a test case. Predictive results on positron effective masses, deformation potentials, positron work functions, diffusion constants and positron mobilities are presented for CdX (X=S, Se, Te). Our calculated data for Si are compared with experimental and recent theoretical results.     

Quantum Model of Energy Transport in Collagen Molecules

A semi-quantum model for energy transport in collagen molecules is presented.Soliton-like dynamics of this model is investigated numerically without and with the temperature efect taking into account.It is found that in both the cases energy can transport for a long distance along the collagen chain.This indicates that collagen molecules can be taken as a candidate for the acupuncture channel.     

Fourier’s Law for a Microscopic Model of Heat Conduction

We consider a chain of N harmonic oscillators perturbed by a conservative stochastic dynamics and coupled at the boundaries to two gaussian thermostats at different temperatures. The stochastic perturbation is given by a diffusion process that exchange momentum between nearest neighbor oscillators conserving the total kinetic energy. The resulting total dynamics is a degenerate hypoelliptic diffusion with a smooth stationary state. We prove that the stationary state, in the limit as N→ ∞, satisfies Fourier’s law and the linear profile for the energy average     

Heat Conduction in Two-Dimensional Nonlinear Lattices

The divergence of the heat conductivity in the thermodynamic limit is investigated in 2d-lattice models of anharmonic solids with nearest-neighbour interaction from single-well potentials. Two different numerical approaches based on nonequilibrium and equilibrium simulations provide consistent indications in favour of a logarithmic divergence in ergodic, i.e., highly chaotic, dynamical regimes. Analytical estimates obtained in the framework of linear-response theory confirm this finding, while tracing back the physical origin of this anomalous transport to the slow diffusion of the energy of hydrodynamic modes. Finally, numerical evidence of superanomalous transport is given in the weakly chaotic regime, typically observed below a threshold value of the energy density.     

Particularities of Heat Conduction in Nanostructures

Heat conduction in nanostructures differs significantly from that in macrostructures because the characteristic length scales associated with heat carriers, i.e., the mean free path and the wavelength, are comparable to the characteristic length of nanostructures. In this communication, particularities associated with phonon heat conduction in nanostructures, the applicability of the Fourier law, and the implications of nanoscale heat transfer effects on nanotechnology are discussed.     

纳米SiO2材料声子热输运的格子玻尔兹曼法模拟

根据德拜物理模型,采用格子玻尔兹曼方法（LBM）对纳米二氧化硅薄膜内的声子热输运特性进行了模拟分析,得到了薄膜内的温度响应特性;在此基础上,分析了其法向有效导热系数。计算结果表明,当努森数大于0．01时,薄膜边界处出现温度跳跃,呈现出明显的微纳米尺度传热特性;当薄膜厚度小于20nm时,减小厚度可使其有效导热系数迅速降低...     

Existence of Nonequilibrium Steady State for a Simple Model of Heat Conduction

This paper contains rigorous results for a simple stochastic model of heat conduction similar to the KMP (Knipnis–Marchiori–Presutti) model but with possibly energy-dependent interaction rates. We prove the existence and uniqueness of nonequilibrium steady states, their relation to Lebesgue measure, and exponential convergence to steady states from suitable initial conditions.     

Anomalous Heat Conduction in One-Dimensional Dimerized Lattices

The process of heat conduction in one-dimensional dimerized systems is studied by means of numerical simulation. Taking into account the difference between the strong bond and the weak one of the systems, our calculation indicates that heat conduction in the lattice is anomalous. For the typical parameter related to a real physical system, the divergent exponent is shown to be in agreement with that predicted by the mode-coupling theory. Moreover, our study shows that the homogeneous chain is the best thermal conductor.     

一种减少壁热误差的自适应热粘性

使用单元中心型拉氏方法,研究一维球、柱坐标等径向对称流体力学方程组的数值格式和减少壁热误差的方法.简要分析壁热误差与差分格式修正方程的关系.通过对Riemann问题声波和HLL近似解的比较,提出减少壁热误差的一种自适应的热通量粘性.多项数值实验表明该方法可以获得令人满意的计算结果.     

硅纳米结点电子输运性质的计算

运用第一性原理密度泛函理论结合非平衡格林函数方法,对3个Si原子构成的直线链耦合在Au(100)面形成的三明治结构的纳米结点的电子输运进行计算.结果得到结点电导随距离的变化,当d_z=1.584 nm时,结合能最小,结构最稳定,此时Si-Si键长为0.216 nm,Si-Au键长为0.227 nm,电导为0.729 G₀(G₀=2e²/h),其电子传输通道主要由Si原子的p_x、p_y轨道电子构成;随着外电压的增大,结点的电导减小,而其I-V曲线表现出线性特征.     

二维变几何域下的表面热流反演

采用共轭梯度法,给出二维变几何域下的热流反演算法,并对算法的有效性和稳定性进行验证.结果显示:测点数目对反演结果有较大影响,测点数目的选取和热流的空间变化剧烈程度有关;反演初值的选取对反演结果,尤其是末时段,会有较大影响,应尽可能选择传热过程末时刻热流作为反演初值.     

Effect of Inter-System Coupling on Heat Transport in a Microscopic Collision Model

In this paper we consider a bipartite system composed of two subsystems each coupled to its own thermal environment. Based on a collision model, we mainly study whether the approximation (i.e., the inter-system coupling is ignored when modeling the system–environment interaction) is valid or not. We also address the problem of heat transport unitedly for both excitation-conserving system–environment interactions and non-excitation-conserving system–environment interactions. For the former interaction, as the inter-system interaction strength increases, at first this approximation gets worse as expected, but then counter-intuitively gets better even for a stronger inter-system coupling. For the latter interaction with asymmetry, this approximation gets progressively worse. In this case we realize a perfect thermal rectification, and we cannot find an apparent rectification effect for the former interaction. Finally and more importantly, our results show that whether this approximation is valid or not is closely related to the quantum correlations between the subsystems, i.e., the weaker the quantum correlations, the more justified the approximation and vice versa.