Simulations of the mobile phase of polyethylene

Results are presented from atomistic molecular dynamics simulations of the mobile pseudo-hexagonal phase of polyethylene, which occurs under conditions of elevated pressure and temperature. Three different types of model are considered, all of which employ periodic boundary conditions. The first model consists of n-alkane sequences (48×-C₂₄H₄₈-) that are bonded across the simulation box boundaries to produce chains that are effectively infinite in extent. On heating, at high pressure, this system displays a rotator phase, in which the chains retain an all-trans conformation, and rotate as semi-rigid units. A second model, consisting of finite n-alkanes (48×C₂₄H₅₀) displays the same behaviour at low temperatures, but at high temperature and pressure forms a conformationally disordered rotator phase, characterised by a large proportion of gauche defects and a significant lattice expansion. The final model considered contains long n-alkanes (24×C₁₀₂H₂₀₆) which contain jog defects and each pass twice through the simulation box. This model forms a conformationally disordered rotator phase at high temperature and ambient pressure. The behaviour of the three models, in terms of the variations in chain conformation and rotational and translational dynamics, are compared. The conformationally disordered phases provide useful representations of the experimentally observed mobile phase.     

基于Multisim8的压控振荡电路仿真分析

介绍了Multisim8的仿真功能的特点，并通过实例说明了用Multisim8进行仿真分析的具体方法，简单介绍了如何设置参数和进行仿真操作。     

Specific interactions in blends containing Chitosan and functionalized polymers. Molecular dynamics simulations

Chitosan (CS)/poly(vinyl alcohol) (PVA) and Chitosan/poly(2-hydroxyethyl methacrylate) (P2HEM) blends have been studied through molecular dynamic simulations. In a previous work it was found miscibility between these polymers and it was attributed to hydrogen bonding formation. However, the experimental information obtained was not enough to know which of the interacting groups of Chitosan, i.e. -CH₂OH or -NH₂, are responsible of the interaction. Therefore, we have performed molecular dynamics simulation runs of 1 ns in order to calculate radial distribution functions (RDF) for the groups tentatively involved in the interaction. The results are correlated with our previous experimental data. This way, we have obtained a more precise conclusive information about the interactions involved as function of the blends composition. For low compositions of PVA and P2HEM the interaction is predominantly with the hydroxymethyl groups of CS while as the composition of PVA and P2HEM increases, the interaction with the amine groups increases.     

基于Protel DXP的电路仿真设计

Protel DXP是集所有设计工具于一身的电子设计自动化(EDA)软件.文中运用其内嵌的仿真器叙述了分压式偏置电路放大器的仿真设计过程,设计过程简单、方便.在电子线路理论教学过程中引入电路设计仿真环节在不同情况下对电路进行实时分析,不仅可以提高学生的学习兴趣,而且能够在较短时间内加深学生对理论知识的理解;在工程设计过程中利用仿真工具对电路进行即时测试,可以缩短设计周期,提高设计效率.     

Matlab语言与线性电路的符号仿真

目前的电路仿真软件通常是在电路中所有元件值都是给定的情况下得到一些数值结果，而非解析结果。该文利用Matlab的符号运算功能编程，通过节点列表法，实现了任意线性电路的自动解析求解，为电路分析提供了一个有效的辅助工具。     

计算机高速并行通信的实现方案

利用CPLD芯片实现单片机与ISA总线接口之间的高速并行通信，给出系统的总体设计方法及程序框图。采用这种通信方式，在12MHz晶振的MCS51单片机控制的数据采集系统中，可以满足与PCI04 ISA总线接口实时通信的要求，通信速率达200khit／s。在开发工具MAX plusⅡ下，完成了整个设计的输入、编译和仿真，达到了预期效果。本设计方案能够推广应用到计算机的高速并行通信中。     

Surface segregation studied by low-energy ion scattering: experiment and numerical simulation

The changes in surface composition of metallic alloys caused by segregation can be very efficiently studied by low-energy ion scattering (LEIS) due to the specific surface sensitivity of this technique. Investigations of single-crystal surfaces of ordered alloys are of particular interest because they provide the possibility to investigate the interplay between segregation effects and the order-disorder phase transition when passing through the transition temperature. Exemplifying these effects for bimetallic alloys we consider in particular the CuAu-system.For the quantitative interpretation of energy and angle resolved LEIS intensity distributions we compare experimental results with those from numerical simulations using the MARLOWE code which we extended with a detailed trajectory analysis. This allows us to apply various discrimination criteria, such as number of collisions, distance of closest approach, identification of the scattering crystal layer, total path length, etc. On this basis structural effects, ion survival probabilities and the influence of thermal vibrations can be studied.We demonstrate this potential by using CuAu(1 0 0) as a special example. The scattering potential parameters were calibrated with elemental single crystals of known structures and the anisotropic Debye temperatures taken from the literature showed good agreement, neutralization was of minor importance in this case. Our procedure could be successfully used for the quantitative analysis of the composition of the first and second layer as a function of temperature. These results are in good agreement with theoretical predictions.     

The Difference in Turbulent Diffusion between the Active and Passive Scalars in a Thermally Stably Stratified Medium

The difference in the turbulent diffusion between the active (heat) and passive (mass) scalars in a thermally stably stratified medium is investigated. The axisymmetric problem is treated on the formation of a turbulent circulation flow above a heated disk and on the turbulent diffusion of a passive scalar (impurity) from a continuous surface source in a stably stratified medium. The results indicate that the thermal stratification causes appreciable differences in the coefficients of turbulent transfer between the active (heat) and passive (mass) scalars. This means that the assumption of the identity of the coefficient of turbulent diffusion of heat and mass, employed in conventional models of turbulence, produces significant errors in estimating the heat and mass transfer in a thermally stably stratified medium.     

A direct stiffness analysis of a composite beam with partial interaction

The use of the conventional semi-analytical stiffness method in finite element analysis, in which interpolation polynomials are used to develop the stiffness relationships, leads to problems of curvature locking when beam-type elements are developed for composite members with partial interaction between the materials of which it is comprised. The curvature locking phenomenon that occurs for composite steel–concrete members is quite well reported, and the general approach to minimizing the undesirable ramifications of curvature locking has been to use higher-order polynomials with increasing numbers of internal nodes. This paper presents an alternate formulation based on a direct stiffness approach rather than starting from pre-defined interpolation polynomials, and which does not possess the undesirable locking characteristics. The formulation is based on a more general approach for a bi-material composite flexural member, whose constituent materials are joined by elastic shear connection so as to provide partial interaction. The stiffness relationships are derived, and these are applied to a simply supported and a continuous steel–concrete composite beam to demonstrate the efficacy of the method, and in particular its ability to model accurately both very flexible and very stiff shear connection that causes difficulties when implemented in competitive semi-analytical algorithms. Copyright © 2004 John Wiley & Sons, Ltd.