Single Curved Fiber Sedimentation Under Gravity

Dynamics of single curved fiber sedimentation under gravity are simulated by using the lattice Boltzmann method. The results of migration and rotation of the curved fiber at different Reynolds numbers are reported. The results show that the rotation and migration processes are sensitive to the curvature of the fiber. (c) 2007 Elsevier Ltd. All rights reserved.

Examination of the LBM in simulation of microchannel flow in transitional regime

The gas flows in micro-electro-mechanical systems possess relatively large Knudsen number and usually belong to the slip flow and transitional flow regimes. Recently the lattice Boltzmann method (LBM) was proposed by Nie et al. in Journal of Statistical Physics, vol. 107, pp. 279-289, in 2002 to simulate the microchannel and microcavity flows in the transitional flow regime. The present article intends to test the feasibility of doing so. The results of using the lattice Boltzmann method and the direct simulation Monte Carlo method show good agreement between them for small Kn (Kn = 0.0194), poor agreement for Kn = 0.194, and large deviation for Kn = 0.388 in simulating microchannel flows. This suggests that the present version of the lattice Boltzmann method is not feasible to simulate the transitional channel flow.

Single curved fiber sedimentation under gravity

Dynamics of single curved fiber sedimentation under gravity are simulated by using the lattice Boltzmann method. The results of migration and rotation of the curved fiber at different Reynolds numbers are reported. The results show that the rotation and migration processes are sensitive to the curvature of the fiber. (c) 2007 Elsevier Ltd. All rights reserved.

Defect evolution and hydrodynamic effects in lamellar ordering process of two-dimensional quenched block copolymers

The effects of hydrodynamic interactions on the lamellar ordering process for two-dimensional quenched block copolymers in the presence of extended defects and the topological defect evolutions in lamellar ordering process are numerically investigated by means of a model based on lattice Boltzmann method and self-consistent field theory. By observing the evolution of the average size of domains, it is found that the domain growth is faster with stronger hydrodynamic effects. The morphological patterns formed also appear different. To study the defect evolution, a defect density is defined and is used to explore the defect evolutions in lamellar ordering process. Our simulation results show that the hydrodynamics effects can reduce the density of defects. With our model, the relations between the Flory-Huggins interaction parameter chi, the length of the polymer chains N, and the defect evolutions are studied.

高Mach数格子Boltzmann模型的改进

对文献「７」所提出的高Ｍａｃｈ数格子Ｂｏｌｔｚｍａｎｎ模型作了改进，克服了原模型拟结果与理论偏差较大、存在色散效应的缺陷，并进一步把Ｍａｃｈ数提高到５以上，据我们所知，这是目前同类研究的最好结果。

Flows with Inertia in a Three-Dimensional Random Fiber Network

A fiber web is modeled as a three-dimensional random cylindrical fiber network. Nonlinear behavior of fluid flowing through the fiber network is numerically simulated by using the lattice Boltzmann (LB) method. A nonlinear relationship between the friction factor and the modified Reynolds number is clearly observed and analyzed by using the Fochheimer equation, which includes the quadratic term of velocity. We obtain a transition from linear to nonlinear region when the Reynolds numbers are sufficiently high, reflecting the inertial effect of the flows. The simulated permeability of such fiber network has relatively good agreement with the experimental results and finite element simulations.

Monte Carlo Modeling of Micro Scale Gas Flows

An information preservation (IP) method has been used to simulate many micro scale gas flows. It may efficiently reduce the statistical scatter inherent in conventional particle approaches such as the direct simulation Monte Carlo (DSMC) method. This paper reviews applications of IP to some benchmark problems. Comparison of the IP results with those given by experiment, DSMC, and the linearized Boltzmann equation, as well as the Navier-Stokes equations with a slip boundary condition, and the lattice Boltzmann equation, shows that the IP method is applicable to micro scale gas flows over the entire flow regime from continuum to free molecular.

模拟MEMS中气体流动的工具——信息保存法

MEMS中气体流动因特征尺度小而是稀薄气体的领域,本文首先介绍处理低速稀薄气体流动的一些方法:线化Boltzmann方程,Lattice Boltzmann方法,加滑移边界的Navier-Stoks方程,以及DSMC方法,并讨论它们模拟MEMS中过渡领域低速流动所遇到的困难。信息保存法克服了流速低使得信息噪声比小引起统计模拟的困难,已成功模拟了一些一维和二维问题。MEMS中流速低和大的长宽比的特点还引起出入口边界条件相互影响需要协调的问题,通过微槽道流动的算例,在模拟中采用守恒形式的质量守恒方程和超松弛法成功地解决了这一问题。处理有温度变化的MEMS流动问题和跨越领域的混合算法是重要的问题,本文用信息保存法也进行了有益的尝试。

Theoretical investigation on the phase stability of Nd2Fe14B and site preference of V, Cr, Mn, Zr and Nb

The stability of the excellent permanent magnetic compound Nd2Fe14B and substitution of Fe in the compound by V, Cr, Mn, Zr and Nb are investigated by using interatomic pair potentials which are converted from lattice-inversion method. Calculation shows that the substitution always makes the cell volume larger, and the increase of the volume is almost linear with substituent concentration. The calculated cohesive energy shows that the preferential order of substitution of Fe is Nb, V, Cr, Mn, Zr. Nevertheless, all the five substituting elements should most preferentially replace Fe in the j(2)' site, which has the greatest space among all six Fe sites. (C) 2005 Elsevier B.V. All rights reserved.

A simple method to simulate shrinkage-induced cracking in cement-based composites by lattice-type modeling

A new numerical procedure is proposed to investigate cracking behaviors induced by mismatch between the matrix phase and aggregates due to matrix shrinkage in cement-based composites. This kind of failure processes is simplified in this investigation as a purely spontaneous mechanical problem, therefore, one main difficulty during simulating the phenomenon lies that no explicit external load serves as the drive to propel development of this physical process. As a result, it is different from classical mechanical problems and seems hard to be solved by using directly the classical finite element method (FEM), a typical kind of "load -> medium -> response" procedures. As a solution, the actual mismatch deformation field is decomposed into two virtual fields, both of which can be obtained by the classical FEM. Then the actual response is obtained by adding together the two virtual displacement fields based on the principle of superposition. Then, critical elements are detected successively by the event-by-event technique. The micro-structure of composites is implemented by employing the generalized beam (GB) lattice model. Numerical examples are given to show the effectiveness of the method, and detailed discussions are conducted on influences of material properties.

Method for measurement of lattice parameter of cubic GaN layers on GaAs (001)

An extended technique derived from triple-axis diffraction setup was proposed to measure lattice parameters of cubic GaN(c-GaN) films. The fully relaxed lattice parameters of c-GaN are determined to be 4.5036+0.0004 Angstrom, which is closer to the values of a hypothetical perfect crystal. The speculated zero setting correction (Deltatheta) is very slight and within the range of the accuracy of measurement. Additionally, we applied this method to analyze strain of four different kinds of c-GaN samples. It is found that in-plane strain caused by large lattice mismatch and thermal expansion coefficients mismatch directly influence the epilayer growth at high temperatures, indicating that the relaxation of tensile strain after thermal annealing helps to improve the crystalline quality of c-GaN films and optical properties. (C) 2003 Elsevier Science B.V. All rights reserved.

Study of self-assembly of symmetric coil-rod-coil ABA-type triblock copolymers by self-consistent field lattice method

The self-assembly of symmetric coil-rod-coil ABA-type triblock copolymer melts is studied by applying self-consistent field lattice techniques in a three-dimensional space. The self-assembled ordered structures differ significantly with the variation of the volume fraction of the rod component, which include lamellar, wave lamellar, gyroid, perforated lamellar, cylindrical, and spherical-like phases. To understand the physical essence of these phases and the regimes of occurrence, we construct the phase diagram, which matches qualitatively with the existing experimental results. Compared with the coil-rod AB diblock copolymer, our results revealed that the interfacial grafting density of the separating rod and coil segments shows important influence on the self-assembly behaviors of symmetric coil-rod-coil ABA triblock copolymer melts. We found that the order-disorder transition point changes from f(rod)=0.5 for AB diblock copolymers to f(rod)=0.6 for ABA triblock copolymers. Our results also show that the spherical-like and cylindrical phases occupy most of the region in the phase diagram, and the lamellar phase is found stable only at the high volume fraction of the rod.

Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theory

Molecular dynamics simulations are adopted to calculate the equation of state characteristic parameters P*, rho*, and T* of isotactic polypropylene (iPP) and poly(ethylene-co-octene) (PEOC), which can be further used in the Sanchez-Lacombe lattice fluid theory (SLLFT) to describe the respective physical properties. The calculated T* is a function of the temperature, which was also found in the literature. To solve this problem, we propose a Boltzmann fitting of the data and obtain T* at the high-temperature limit. With these characteristic parameters, the pressure-volume-temperature (PVT) data of iPP and PEOC are predicted by the SLLFT equation of state. To justify the correctness of our results, we also obtain the PVT data for iPP and PEOC by experiments. Good agreement is found between the two sets of data. By integrating the Euler-Lagrange equation and the Cahn-Hilliard relation, we predict the density profiles and the surface tensions for iPP and PEOC, respectively. Furthermore, a recursive method is proposed to obtain the characteristic interaction energy parameter between iPP and PEOC. This method, which does not require fitting to the experimental phase equilibrium data, suggests an alternative way to predict the phase diagrams that are not easily obtained in experiments.

CALCULATION METHOD OF LATTICE ENERGY ON COMPLEX-CRYSTALS

In this paper, based on the consideration of covalent behavior of adjacent ions in crystals, a calculation formula of lattice energy was proposed. In which, the concept of ionic effective valence and the empirical formula covalent energy were introduced,