Size- And Temperature-Dependent Thermal Expansion Coefficient Of A Nanofilm

The thermal expansion coefficient (TEC) of an ideal crystal is derived by using a method of Boltzmann statistics. The Morse potential energy function is adopted to show the dependence of the TEC on the temperature. By taking the effects of the surface relaxation and the surface energy into consideration, the dimensionless TEC of a nanofilm is derived. It is shown that with decreasing thickness, the TEC can increase or decrease, depending on the surface relaxation of the nanofilm.

Solute transport in nanochannels with roughness-like structures

Newfound attention has been given to solute transport in nanochannels. Because the electric double layer (EDL) thickness is comparable to characteristic channel dimensions, nanochannels have been used to separate ionic species with a constant charge-to-size ratio (i.e., electrophoretic mobility) that otherwise cannot be separated in electroosmotic or pressure- driven flow along microchannels. In nanochannels, the electrical fields within the EDL cause transverse ion distributions and thus yield charge-dependent mean ion speeds in the flow. Surface roughness is usually inevitable during microfabrication of microchannels or nanochannels. Surface roughness is usually inevitable during the fabrication of nanochannels. In the present study, we develop a numerical model to investigate the transport of charged solutes in nanochannels with hundreds of roughness-like structures. The model is based on continuum theory that couples Navier-Stokes equations for flows, Poisson-Boltzmann equation for electrical fields, and Nernst-Planck equation for solute transports. Different operating conditions are considered and the solute transport patterns in rough channels are compared with those in smooth channels. Results indicate that solutes move slower in rough nanochannels than in smooth ones for both pressure- driven and electroosmotic flows. Moreover, solute separation can be significantly improved by surface roughness under certain circumstances.

等离子体效应对类氦氖Kα线系电偶极辐射的影响

采用离子球模型，通过自洽求解Boltzmann方程和Poisson方程，得到类氦氖离子Kα线系的两条电偶极辐射光谱能量随等离子体环境的漂移．结果显示，Kα线系电偶极谱线随等离子体电子密度增大发生红移，红移量与等离子体电子密度有近似的正比关系；随着等离子体电子温度的降低，光谱红移对等离子体电子密度的敏感性增大。另外，所研究的两条谱线间的能量间隔随等离子体电子密度的增大而减小，减小量随等离子体电子密度的变化也呈现出近似的线性规律。值得注意的是，类氦氖Kα线系中两条电偶极谱线分别为互组合线与共振谱线，而其能量差

适用于中等耦合等离子体的碰撞算子

完全电离等离子体中，当试探粒子分布函数fα是关于试探粒子速度vα的偶函数时，导出了一个新的动力学方程的碰撞算子．该碰撞算子同时包括了大角散射（库仑近碰撞）和小角散射（库仑远碰撞）的二体碰撞的贡献，因此，该碰撞算子同时适用于弱耦合（库仑对数ln∧≥10）和中等耦合（库仑对数2≤ln∧≤10）等离子体．而且经过修改的碰撞算子和Rosenbluth势有直接的联系，当试探粒子和场粒子满足条件mα＜mβ（如电子-离子碰撞或Lorentz气体模型）和｜vα｜〉｜vβ｜时，经约化的电子-离子碰撞算子同最初的Fokker

Ground-state energy shifts of H-like Ti under dense and hot plasma conditions

In this study, by adopting the ion sphere model, the self-consistent. field method is used with the Poisson-Boltzmann equation and the Dirac equation to calculate the ground-state energies of H-like Ti at a plasma electron density from 10(22) cm(-3) to 10(24) cm(-3) and the electron temperature from 100 eV to 3600 eV. The ground-state energy shifts of H-like Ti show different trends with the electron density and the electron temperature. It is shown that the energy shifts increase with the increase in the electron density and decrease with the increase in the electron temperature. The energy shifts are sensitive to the electron density, but only sensitive to the low electron temperature. In addition, an accurately fitting formula is obtained to fast estimate the ground-state energies of H-like Ti. Such fitted formula can also be used to estimate the critical electron density of pressure ionization for the ground state of H-like Ti.

Electrical transport in metallic films

On the basis of the Boltzmann equation, the authors propose a model that includes scattering from both film surfaces and grain boundaries, and have studied the quasiclassical electrical transport in metallic films. The in-plane electric conductivity of metallic films is obtained, and the theoretical results are shown to be in good agreement with experimental data. We also give the relation between temperature coefficient of resistivity and thickness of metallic films and make a comparison with experiment. <(C)> 2004 American Institute of Physics.

A model for scattering due to interface roughness in finite quantum wells

A model for scattering due to interface roughness in finite quantum wells (QWs) is developed within the framework of the Boltzmann transport equation and a simple and explicit expression between mobility limited by interface roughness scattering and barrier height is obtained. The main advantage of our model is that it does not involve complicated wavefunction calculations, and thus it is convenient for predicting the mobility in thin finite QWs. It is found that the mobility limited by interface roughness is one order of amplitude higher than the results derived by assuming an infinite barrier, for finite barrier height QWs where x = 0.3. The mobility first decreases and then flattens out as the barrier confinement increases. The experimental results may be explained with monolayers of asperity height 1-2, and a correlation length of about 33 angstrom. The calculation results are in excellent agreement with the experimental data from AlxGa1-xAs/GaAs QWs.

Electronic structure and optical properties of quantum rods with wurtzite structure

The Hamiltonian of the wurtzite quantum rods with an ellipsoidal boundary is given after a coordinate transformation. The energies, wave functions, and transition possibilities are obtained as functions of the aspect ratio e with the same method we used on spherical dots. With an overall consideration of both the transition matrix element and the Boltzmann distribution we explained why the polarization factor increases with increasing e and approaches a saturation value, which tallies quite well with the experimental result. When e increases more and more S-z states are mixed into the ground, second, and third states of J(z)=1/2, resulting in an increase of the emission of z polarization. It is just the linear terms of the momentum operator in the hole Hamiltonian that cause the mixing of S and P states in the hole ground state. The effects of the crystal field splitting energy, temperature, and transverse radius to the polarization are also considered. We also calculated the band gap variation with the size and shape of the quantum rods.

多相聚合物体系相分离动力学的理论和模拟

本文提出了将自洽场理论与多相流格子Boltzmann方法相结合的模型，并从该模型出发推导出了描述动量守恒的Navier-Stokes方程和扩散方程，验证了模型理论上的正确性。应用此模型，对聚合物的相分离过程进行了模拟。 首先证实了本模型最终能够得到正确的热力学平衡结果。对于高分子共混物和嵌段共聚物相分离的动力学过程。在分相各个阶段，对高分子共混物和嵌段共聚物都进行了验证。 其次，应用所提出的格子Boltzmann模型，分别对二元聚合物共混物和二嵌段共聚物的相分离后期相区增长过程进行了研究。 最后，通过模型的进一步扩展，实现了对具有复杂结构的嵌段共聚物和复杂共混物的模拟。

对LVDSMC方法的改进(英文)

最近,Homolle和Hadjiconstantinu提出了新的粒子模拟方法———LVDSMC方法[1],该方法采用了减少方差的思想从而提高了低速流动问题中的计算效率。本文针对LVDSMC方法提出两点改进:第一,除了方法中原来已采用的偏差粒子,在计算近自由分子流问题时建议额外地采用一些辅助粒子,从而可以约束计算过程中原始算法在生成偏差粒子时计算误差的累积效应;第二,提出一个可选的用于计算潜在Maxwell Boltzmann分布函数中的速度参数的增量,从而使得表面的应力及热流的计算变得简单。

Analysis for temperature and pressure fields in process of hydrate dissociation by depressurization

An improved axisymmetric mathematic modeling is proposed for the process of hydrate dissociation by depressurization around vertical well. To reckon in the effect of latent heat of gas hydrate at the decomposition front, the energy balance equation is employed. The semi-analytic solutions for temperature and pressure fields are obtained by using Boltzmann-transformation. The location of decomposition front is determined by solving initial value problem for system of ordinary differential equations. The distributions of pressure and temperature along horizontal radiate in the reservoir are calculated. The numeric results indicate that the moving speed of decomposition front is sensitively dependent on the well pressure and the sediment permeability. Copyright (C) 2010 John Wiley & Sons, Ltd.

丰质子核反应中轻带电粒子发射的同位旋效应

采用同位旋相关的Boltzmann-Langevin方程计算了核素12—15N和17—20Ne反应中轻带电粒子发射的同位旋效应。12—15N与28Si靶的反应结果显示轻带电粒子的产生截面有明显的同位旋效应,12N的轻带电粒子产生截面突然增大,与实验得出的结论相同,由此检验了所采用的计算方法的可行性。同时还计算了17—20Ne与9Be靶的反应,发现17Ne的轻带电粒子产生截面也是突然增大,并且其质子分布有较大的弥散,据此认为17Ne可能具有晕结构。

轻丰中子核反应中子集团产生截面的理论研究

采用Boltzmann-Langevin方程研究了能量为35MeV／u的14Be,8He,6He,11Li,17B,11Be,19C与 12C靶的反应,计算了产生中子集团的截面,发现14Be与12C靶反应产生4n的截面与实验值符合得很好．通过这几个入射核与12C靶形成中子集团截面的对比,发现核的晕中子越多产生中子集团的截面越大,晕中子数相同时,质量数越大产生中子集团的截面越大．中子集团可能主要来自晕核子．