金刚石膜的计算机虚拟制备技术中的分子动力学模拟

综述了近年来金刚石薄膜形成过程的分子动力学（Molecular Dynamics，简称MD）模拟研究，详细地阐述了原子间相互作用势的选取，总结了不同沉积条件下MD的计算模型和几种典型情况下的模拟结果。研究表明：在原子尺度上，MD方法能较全面地提供有关膜生长的信息，对进一步了解金刚石膜形成的微观机制以及为细观层次仿真提供基本信息均具有重要意义。     

流量自动控制的设计与实现

文章通过分析多相流模拟井的实际工作要求 ,提出了简单实用的流量自动控制模型。应用成型的计算机数据采集和控制模块及稳定可靠的流量控制部件 ,实现了各相流量的自动控制过程。该流量自动控制系统调节精度高、速度快、整体造价低 ,在实际应用中取得了良好的效果。     

机动武器系统的含间隙动力学研究--下篇:系统仿真

本文把中篇建立的间隙铰模型引入多体系统动力学分析中,得到了一种处理含间隙多体系统动力学问题的一般方法.应用这种方法对机动武器的发射过程进行了原理性的仿真,验证了前面建立的碰撞模型和间隙模型,并分析了间隙对导弹运动状态的影响.导弹发射过程具有变拓扑的特点,本文方法提供了一种处理这类问题的思路.     

KZON-50/120空分设备的安装调试及设计改造

在KZON-50/120空分设备的安装调试和试运行过程中,对其机械和电器部分进行了多处改造,克服了原设计中存在的不足之处。改造后,机械和电器性能更加趋于合理,操作简单,便于维护,降低了制气费用,提高了制气纯度和经济效益,保证了空分设备更加安全可靠运行。     

Numerical simulation of typical contact situations of brake friction materials

In the paper, a model typical for contact situations of automotive brakes is established based on the method of movable cellular automata. The processes taking place at local contacts in an automotive brake system are analysed. Based on microscopic and micro-analytical observations, the following contact situations were simulated: (i) a couple of ferritic steel against pearlitic steel, both covered by an oxide layer mixed with graphite nanoparticles and (ii) the same situation but without oxide layers. The results of calculated mean coefficients of friction of the oxide-on-oxide contact correspond well to expected values for a real braking system, whereas steel-on-steel contact are twice as high. This allows one to make some conclusions; for example, oxide formation will take place more quickly than friction layer elimination, and finally this is responsible for the stabilisation of the coefficient of friction.     

Simulation of Strength Distribution in Ground Ceramics by Incorporating Residual Stress Effect

Strength of ground ceramics may be affected by residual stress as well as surface flaws induced by grinding. Strength prediction for ground ceramics is convenient for mechanical design of ceramic components. In this article, a numerical procedure based on fracture mechanics was proposed to estimate strength distribution of ground ceramics by considering grinding-induced residual stress. Bending strength and residual stress of ground ceramics were measured for three grinding-conditions. By comparison of simulated results with experimental ones, it was revealed that strength characteristics in experiments were well simulated by using the proposed procedure.     

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.