Linear and non-linear double diffusive convection in a rotating porous layer using a thermal non-equilibrium model

Double diffusive convection in a fluid-saturated rotating porous layer heated from below and cooled from above is studied when the fluid and solid phases are not in local thermal equilibrium, using both linear and non-linear stability analyses. The Darcy model that includes the time derivative and Coriolis terms is employed as momentum equation. A two-field model that represents the fluid and solid phase temperature fields separately is used for energy equation. The onset criterion for stationary, oscillatory and finite amplitude convection is derived analytically. It is found that small inter-phase heat transfer coefficient has significant effect on the stability of the system. There is a competition between the processes of thermal and solute diffusions that causes the convection to set in through either oscillatory or finite amplitude mode rather than stationary. The effect of solute Rayleigh number, porosity modified conductivity ratio, Lewis number, diffusivity ratio, Vadasz number and Taylor number on the stability of the system is investigated. The non-linear theory based on the truncated representation of Fourier series method predicts the occurrence of subcritical instability in the form of finite amplitude motions. The effect of thermal non-equilibrium on heat and mass transfer is also brought out.     

Dispersion in Heterogeneous Porous Media: One-Equation Non-equilibrium Model

In this paper, the method of large-scale averaging is used to develop two different one-equation models describing dispersion in heterogeneous porous media. The first model represents the case of large-scale mass equilibrium, while the second represents the asymptotic behavior of a two-equation model obtained by large-scale averaging. It is shown that a one-equation, non-equilibrium model can be developed even when the intrinsic large-scale averaged concentrations for each region are not equal. The solution of this non-equilibrium model is equivalent to the asymptotic behavior of the two-equation model.     

温度对碳膜内氮、氧渗透分离影响的非平衡模拟

采用双控体积巨正则系综分子动力学(DCV-GCMD)方法, 用二维狭缝代替传统的一维狭缝构建膜孔模型研究了温度对氮氧纯气体及其混合物在碳膜内的渗透特性, 探讨了氮氧分离机理. 提出了一种新的计算二元混合气体中各组分通量和分离系数的方法, 即模拟中引入迭代, 解决了前人忽略低压侧气体组成和压力影响的问题. 试验结果表明: 当氮氧以纯气体的形式分别透过碳膜时, 二者均遵循Knudsen扩散方式, 且低温下氮气具有较大的渗透性质; 而当二者以混合物的形式一起透过碳膜时, 低温下二者之间存在竞争吸附, 孔宽对气体的渗透影响显著, 尤其是膜孔较小的时候, 分子筛效应控制氮氧分离; 高温下吸附影响不显著.     

Dielectric-Barrier Discharges: Their History, Discharge Physics, and Industrial Applications

Dielectric-barrier discharges (silent discharges) are used on a large industrial scale. They combine the advantages of non-equilibrium plasma properties with the ease of atmospheric-pressure operation. A prominent feature is the simple scalability from small laboratory reactors to large industrial installations with megawatt input powers. Efficient and cost-effective all-solid-state power supplies are available. The preferred frequency range lies between 1 kHz and 10 MHz, the preferred pressure range between 10 kPa and 500 kPa. Industrial applications include ozone generation, pollution control, surface treatment, high power CO₂ lasers, ultraviolet excimer lamps, excimer based mercury-free fluorescent lamps, and flat large-area plasma displays. Depending on the application and the operating conditions the discharge can have pronounced filamentary structure or fairly diffuse appearance. History, discharge physics, and plasma chemistry of dielectric-barrier discharges and their applications are discussed in detail.     

内参量热力学中的应变参量分析

以连续体的各力学守恒定律和熵函数为基础,给出了完备的变形体内参量热力学的表述框架。讨论了将热力学状态参量分划为外参量和内参量的必要性和依据,论证了热力学内参量和非弹性变形的关系以及将各种类型的非弹性应变列为内参量的数学条件。给出了考虑非弹性变形的内参量热力学基本方程,讨论了熵平衡和熵产生的关系方程和行为特性。引入两种定义的变形体自由能函数的表述方程,给出了各相应的状态方程组。     

一维线性非共轭石墨烯基(CH2)n分子链的电子输运

一维非共轭烷烃链虽不具富电子或少电子特征,但常存在于单分子器件或多肽、蛋白质等生物分子中,对电子传输产生重要影响.为理解这类物质的电子输运特征,本研究设计了一维线性非共轭(CH2)n分子结模型,并利用密度泛函理论结合非平衡态格林函数的方法,对(CH2)n(n=1—12)线性分子链与两个石墨烯电极耦合而成的分子结进行了第...     

First-principles modelling of scanning tunneling microscopy using non-equilibrium Green’s functions

The investigation of electron transport processes in nano-scale architectures plays a crucial role in the development of surface chemistry and nano-technology. Experimentally, an important driving force within this research area has been the concurrent refinements of scanning tunneling microscopy (STM) techniques. The theoretical treatment of the STM operation has traditionally been based on the Bardeen and Tersoff–Hamann methods which take as input the single-particle wave functions and eigenvalues obtained from finite cluster or slabs models of the surface-tip interface. Here, we present a novel STM simulation scheme based on non-equilibrium Green’s functions (NEGF) and Wannier functions which is both accurate and very efficient. The main novelty of the scheme compared to the Bardeen and Tersoff–Hamann approaches is that the coupling to the infinite (macroscopic) electrodes is taken into account. As an illustrating example we apply the NEGF-STM method to the Si(001)-(2×1):H surface with sub-surface P doping and discuss the results in comparison to the Bardeen and Tersoff–Hamann methods.     

剪切变形下非晶态高聚物的力学行为

基于非平衡态热力学理论，提出了一个适用于不可压材料的新的热粘弹性本构模型．该模型将橡胶弹性理论中的非高斯分子网络模型推广到计及粘性和热效应的情形．通过引入一组二阶张量形式的内变量，建议了一个新的Helmholtz自由能表达式，从而可以用来合理描述内变量的演化规律．根据以上模型，重点研究了热粘弹性材料在简单剪切变形下的力学行为，考察了由于分子链取向分布的变化而产生的“粘性耗散诱导”各向异性，讨论了应变率效应和由于粘性耗散而导致的热软化效应对剪应力的影响．理论预测结果与G’Sell等人的实验数据的定性比较表明了新的本构模型的有效性。     

Bubble growth in superheated liquid based on nonequilibrium thermodynamic theory

A mathematical model describing the bubble growth in nucleate boiling is proposed based on non-equilibrium thermodynamics. Numerical simulation of the bubble growth process is performed. Some new arguments are suggested to explain the phenomenon which are distinct from the existing articles. Project supported by the National Natural Science Foundation of China.