Meshless simulation of equilibrium swelling/deswelling of pH‐sensitive hydrogels

Hydrogels have been widely used in microelectromechanical systems (MEMS) and Bio‐MEMS devices. In this article, the equilibrium swelling/deswelling of the pH‐stimulus cylindrical hydrogel in the microchannel is studied and simulated by the meshless method. The multi‐field coupling model, called multi‐effect‐coupling pH‐stimulus (MECpH) model, is presented and used to describe the chemical field, electric field, and the mechanical field involved in the problem. The partial differential equations (PDEs) describing these three fields are either nonlinear or coupled together. This multi‐field coupling and high nonlinear characteristics produce difficulties for the conventional numerical methods (e.g., the finite element method or the finite difference method), so an alternative—meshless method is developed to discretize the PDEs, and the efficient iteration technique is adopted to solve the nonlinear problem. The computational results for the swelling/deswelling diameter of the hydrogel under the different pH values are firstly compared with experimental results, and they have a good agreement. The influences of other parameters on the mechanical properties of the hydrogel are also investigated in detail. It is shown that the multi‐field coupling model and the developed meshless method are efficient, stable, and accurate for simulation of the properties of the stimuli‐sensitive hydrogel. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 326–337, 2006     

湍流燃烧二阶矩模型的大涡模拟验证

对美国Sandia国家实验室测量的甲烷-空气湍流射流火焰进行了三维大涡模拟(LES),其统计的时均量以及脉动量符合实验测量值,且和RANS代数二阶矩湍流燃烧模型模拟结果大致符合。LES统计得到的化学反应率系数脉动和甲烷浓度脉动的互关联与对应的时均量梯度的乘积分布趋势相同,大小幅值的位置也相对应,与二阶矩湍流燃烧模型的封闭假设相符,验证了二阶矩代数燃烧模型的合理性。     

基于界面跟踪方法的汽蚀模型和算法的有效性验证

针对两相附着汽蚀流动机理,基于界面跟踪方法发展了新的汽蚀模型和算法。所发展的汽蚀模型和算法不仅考虑了液相／气相界面处的压力差,而且考虑了耦合Reynolds-Averaged Navier-Stokes方程求解技术得到的流场压力梯度信息来迭代计算附着汽蚀形状。采用具有试验数据的半球形头部圆柱体汽蚀绕流作为算例来验证所提出的汽蚀模型和算法的有效性。采用不同的网格数和松弛因子数值验证了发展的汽蚀模型和算法的有效性。三种汽蚀数下的数值计算结果得到的压力系数分布与试验数据完全吻合。结果表明所提出的汽蚀模型和算法能够准确模拟出汽蚀发生点和汽蚀长度。     

等离子体中电磁波的粒子模拟

本文介绍了1 2/2维相对论性、电磁模等离子体粒子模拟的方法和原理。系统地以计算机模拟了由电子气体组成的等离子体中的各种电磁波。在无外加静磁场、加外横磁场、加外纵向磁场等不同情况下,分别得到静电波、电磁波、寻常波、非寻常波、ω=nω_c的磁回旋共振、左旋波、右旋波等。其色散关系、截止频率、共振频率、极限相速度均与理论结果一致。     

An investigation of the 2D attractive Hubbard model

We present an investigation of the 2D attractive Hubbard model, considered as an effective model relevant to superconductivity in strongly interacting electron systems. We use both hybrid Monte-Carlo simulations and existing hopping parameter expansions to explore the low temperature domain. The increase of the static S-wave pair correlation with decreasing temperature, which depends weakly on the band filling in the explored temperature range, is analyzed in terms of an expected Kosterlitz-Thouless superconducting transition. Using both our data and previously published results, we show that the evidence for this transition is weak: If it exists, its temperature is very low. The number of unpaired electrons remains nearly constant with temperature at fixed attractive potential strength. In contrast, the static magnetic susceptibility decreases fast with temperature, and cannot be related only to pair formation. We introduce a method by which the Padé approximants of the existing series for the susceptibility give sensible results down to rather low temperature region, as shown by comparison with our numerical data. Received: 30 October 1996 / Revised: 23 October 1997 / Accepted: 29 January 1998     

Combinational simulations of free energy of polymer solution

It is conceptually proposed that the total entropy of polymer solution is contributed from two distinct parts: the positional and the oomformational. The former can be represented analytically, while the latter can be simulated with the random self-avoiding walk model on the simple cubic lattice for multichain systems. The obtained results indicated that both the conformational entropy and the mixing heat are consistent with the scaling laws wry well.     

Recognition of ring pairs in the data analysis of Cherenkov detectors

We present a new algorithm for the identification of ring pairs in Cherenkov detectors. The approach combines linear regression methods for the construction of an appropriate reference quantity, methods from statistics for the evaluation of hypotheses and Monte Carlo simulation runs for the tuning of threshold levels.     

Surface properties of finite classical Coulomb systems: Debye-Hückel approximation and computer simulations

We report analytical and numerical studies of surface correlations in finite, homogeneously polarizable, classical Coulomb systems placed in an insulating or conducting environment. Their purpose is to understand the phenomenological, shape-dependent laws of electrostatics, from the point of view of statistical mechanics; we focus on the knowledge of the dielectric susceptibility of the system, a quantity proportional to the equilibrium fluctuation of the system's instantaneous polarization per unit volume. This goal has been achieved for a system in a conducting state. The picture is that the shape-dependent part of the susceptibilities results from the action of unbounded observables (the second moments of the instantaneous polarization of the system) on long-range surface correlations and that the relations of electrostatics are verified by means of shape-dependent thermodynamic limits. This picture is supported (i) by exact solutions and asymptotic analysis of the Debye-Hückel approximation of multicomponent plasmas in disks and spheres with insulating and conducting environment and also in ellipses in a vacuum, and (ii) by computer simulations of a one-component plasma in a disk with different environments, notably a conducting environment with permeable and impermeable wall. These observations have revealed for the first time the reason why the susceptibility of a conducting disk in a conductor with impermeable walls diverges linearly with the radius of the disk: this is due to the occurrence of long-range radial correlations in the conductor. These findings are quantitatively interpreted in terms of a novel canonical Debye-Huckel approximation as contrasted to the ordinary grand canonical version. Lastly a fresh look at the problem of the surface correlations of a conductor in a vacuum, which places the observer close to the surface of the conductor but in the vacuum, is presented and applied to the disk, the ellipse, the cylinder, the sphere, and the wedge.     

卤代化合物的碳—13化学位移模拟

用人工神经网络和多元回归方法对含２个碳的２１个卤代化合物的３５个化学位移进行计算机图像模拟，结果表明，人工神经网络方法优于多元回归方法，同时此种方法处理这类问题有明显的优势，波谱模拟技术在有机化合物结构解析中是非常有用的方法。     

Ar—Kr溶液扩散系数的分子动力学模拟及其与温度的关系

用分子动力学模拟方法研究确定Ａｒ－Ｋｒ溶液的自扩散系数Ｄ１、Ｄ２和互扩散系数Ｄ１２以及它们随温度变化的规律。结果表明，分别用Ｇｒｅｅｎ－Ｋｕｂｏ法和Ｅｉｎｓｔｅｉｎ法得到的扩散系数在数值上一致；该溶液的３种扩散系数均满足Ｄ＝Ｄ０ｅ＾Ｅ／ＲＴ关系。