润滑膜全氟聚醚的稳定性

采用基于粗粒珠簧模型的分子动力学模拟方法，考察了非极性和极性全氟聚醚(perfluoropolyether， PFPE)膜在固体表面的稳定性. 随着时间推移，非极性PFPE膜的表面形貌没有明显变化，呈现稳定的状态；而强极性PFPE膜的部分润滑分子发生局域集聚，使润滑膜的表面粗糙度随时间而增大，呈现不稳定的状态. 通过比较具有不同极性端基PFPE润滑膜的表面形貌变化，结果发现：极性端基与极性端基的作用是导致润滑膜不稳定的根本原因，极性端基与固体表面的作用对润滑膜稳定性影响不大. 关键词： 全氟聚醚膜 分子动力学模拟 稳定性     

Modelling of spreading process: effect from hydrogen bonds

Lubricant spreading on solid substrates has drawn considerable attention not only for the microscopic wetting theory but also for the dramatic application in head-disk interface of magnetic storage drive systems. Molecular dynamic simulation based on a coarse-grained bead-spring model has been used to study such a spreading process. The spreading profiles indicate that the hydrogen bonds among lubricant molecules and the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will complicate the spreading process in a tremendous degree. The hydrogen bonds among lubricant molecules will strengthen the lubricant combination intensity, which may hinder most molecules from flowing down to the substrates and diffusing along the substrates. And the hydrogen bonds between lubricant molecules and polar atoms of solid substrates will confine the lubricant molecules around polar atoms, which may hinder the molecules from diffusing along the substrates and cause precursor film to vanish.     

磁盘润滑膜全氟聚醚的分子动力学模拟研究

纳米润滑膜全氟聚醚(perfluoropolyether，简称PFPE)在固体表面的结构和迁移特性对于计 算机磁盘磁头驱动系统的可靠性具有重要的作用. 采用基于粗粒珠簧模型的分子动力学模拟 方法，考察了不同壁面和端基极性对于PFPE膜静态特性（如分子构型、单体密度分布、端基 密度分布）以及动态特性（如自扩散系数）的影响. 静态特性的模拟结果表明，非极性PFPE 膜在壁面附近具有单层厚度为一个单体直径的层状结构，而极性PFPE膜则具有复杂的层状结 构. 动态特性的模拟结果表明，PFPE膜的扩散能力因壁面作用而增强并因端基极性作用而减 弱. 关键词： 全氟聚醚膜 分子动力学模拟 薄膜润滑 固液界面结构     

Molecular dynamic simulation of lubricant spreading： effect from the substrate and endbead

Molecular dynamic simulations based on a coarse-grained, bead-spring model are adopted to investigate the spreading of both nonfunctional and functional perfluoropolyether (PFPE) on solid substrates. For nonfunctional PFPE, the spreading generally exhibits a smooth profile with a precursor film. The spreading profiles on different substrates are compared, which indicate that the bead-substrate interaction has a significant effect on the spreading behaviour, especially on the formation of the precursor film. For functional PFPE, the spreading generally exhibits a complicated terraced profile. The spreading profiles with different endbeads are compared, which indicate that the endbead-substrate interaction and the endbead--endbead interaction, especially the latter, have a significant effect on the spreading behaviour.     

铁磁纳米阵列膜温度稳定性的损伤扩散研究

利用损伤扩散方法研究了三角点阵量子磁盘的温度稳定性问题.为建立实际体系的伊辛模型,我们作了三方面考虑：1)计入自旋间的长程相互作用;2)考虑纳米线阵列中纳米线长度的不一致性,3)推导出矫顽力与自旋交换常数间的关系并利用矫顽力定量估算出自旋交换常数的数值.模拟结果表明,自旋间的作用范围越长,损伤扩散越难,即稳定性越好;而纳米线的长度混乱度越大,温度稳定性越差. 关键词： 量子磁盘 温度稳定性 损伤扩散方法     

Interface dynamics of lipid membrane spreading on solid surfaces

As a model system for two-dimensional interface dynamics, we study the wetting front of a lipid membrane moving over a solid substrate that is structured with regularly spaced pinning centers. By analyzing the contour of the front, we derive the normal growth rate and the relaxation coefficient. Both exhibit a 1/t(1/2) time dependence. Moreover, the friction coefficient and the line tension can be determined. Randomly distributed pinning centers cause a fractal contour line, whereas on surfaces that are artificially roughened, self-affine contour lines are observed. The latter exhibit an anomalous roughness exponent of zeta = 0.81+/-0.05.     

Self-propelled running droplets on solid substrates driven by chemical reactions

We study chemically driven running droplets on a partially wetting solid substrate by means of coupled evolution equations for the thickness profile of the droplets and the density profile of an adsorbate layer. Two models are introduced corresponding to two qualitatively different types of experiments described in the literature. In both cases an adsorption or desorption reaction underneath the droplets induces a wettability gradient on the substrate and provides the driving force for droplet motion. The difference lies in the behavior of the substrate behind the droplet. In case I the substrate is irreversibly changed whereas in case II it recovers allowing for a periodic droplet movement (as long as the overall system stays far away from equilibrium). Both models allow for a non-saturated and a saturated regime of droplet movement depending on the ratio of the viscous and reactive time scales. In contrast to model I, model II allows for sitting drops at high reaction rate and zero diffusion along the substrate. The transition from running to sitting drops in model II occurs via a super- or subcritical drift-pitchfork bifurcation and may be strongly hysteretic implying a coexistence region of running and sitting drops.     

固体表面液滴铺展与润湿接触线的移动分析

液滴在固体表面上的铺展行为与润湿特性对许多工业生产过程的研究具有重要意义.根据液滴在光滑表面上的受力情况,建立了液滴平壁铺展的动力学模型.应用润滑近似方法和二维Navier-Stokes方程,建立了液滴沿理想表面铺展的动量和连续性方程.根据建立的方程,应用数值解法求解并详细分析了液滴在铺展过程中膜厚、接触线铺展半径以及铺展速度随时间的变化关系.研究结果表明:液滴的铺展过程可分为扩展和收缩两个阶段,铺展过程伴随着表面能、动能以及各种势能的相互转化,液滴最终的铺展半径大小由固体基面固有的润湿特性所决定;液滴在铺展过程中出现的"坍塌效应"与弯曲液面处的Laplace压力差有关;铺展半径随时间变化的标定律近似满足"1/7"次方标度律.     

Mechanics and energy analysis on molten pool spreading during laser solid forming

This paper studies the issue that the molten pool width gradually increases under some conditions during laser solid forming (LSF), which can decrease the shape and dimension accuracy of LSFed component to a large extent. By using the statics analysis method and calculating the interfacial tensions at the solid-liquid-gas triple point of molten pool, the proposed two-dimensional (2D) cross-sectional model of single deposition layer illustrates qualitatively that the deposition width would increase with the increasing pool temperature at a certain powder feeding rate, which we called the pool spread behavior here. Meanwhile, by calculating the maximum equilibrium contact angle for keeping solid-liquid-gas triple point balance, it is found that the molten pool is solidified during non-equilibrium state. Furthermore, in order to control the pool temperature and decrease pool spread amount, the optimal match of pool energy and mass inputs is determined for obtaining an optimum balance between the energy input and deposition efficiencies.     

Effect of acrylic acid vapour on lubricated recording hard-disk media surfaces

Magnetic recording hard-disk drive may be attacked by many kinds of contaminations including vapours/gases. Vapour/gas contaminants are detrimental to magnetic heads, media and head-disk interfaces in hard-disk drive. Acrylic acid is a kind of gases released from drive components. In this study, the effects of acrylic acid vapour on the surface adsorption and corrosion of magnetic hard-disk media are investigated by TOF-SIMS. The related drive durability and failure property are discussed.     

一种改进的基于信息传播率的复杂网络影响力评估算法

评价网络中节点的信息传播影响力对于理解网络结构与网络功能具有重要意义.目前,许多基于最短路径的指标,如接近中心性、介数中心性以及半局部(SP)指标等相继用于评价节点传播影响力.最短路径表示节点间信息传播途径始终选择最优方式,然而实际上网络间的信息传播过程更类似于随机游走,信息的传播途径可以是节点间的任一可达路径,在集聚系数高的网络中,节点的局部高聚簇性有利于信息的有效扩散,若只考虑信息按最优传播方式即最短路径传播,则会低估节点信息传播的能力,从而降低节点影响力的排序精度.综合考虑节点与三步内邻居间的有效可达路径以及信息传播率,提出了一种SP指标的改进算法,即ASP算法.在多个经典的实际网络和人工网络上利用SIR模型对传播过程进行仿真,结果表明ASP指标与度指标、核数指标、接近中心性指标、介数中心性指标以及SP指标相比,可以更精确地对节点传播影响力进行排序.     

Initial attachment and spreading of MG63 cells on nanopatterned titanium surfaces via through-mask anodization

It is well established that nanosized surface topography significantly affects cell response at a biomaterial surface. Here we used a through-mask anodization technique to fabricate well-defined titania nanopillars with tunable feature sizes from 15 to 100 nm on bulk titanium (Ti) substrates and studied their effects on initial attachment and spreading of osteoblast-like cells (MG63). An increase of titania pillar height from 15 to 100 nm resulted in reduced spreading of MG63 osteoblast-like cells and the higher pillar structures also gave rise to heavily elongated cells. By using a FIB/SEM dual beam microscope the interface between MG63 cells and nanopatterned Ti surfaces could be studied in more detail. It was found that the higher pillar structures prevented the cells to conform to the surface topography leaving voids in between the cells and the substrates. The results found in this study agree with previous studies that cells response better to surfaces with smaller (<20 nm) features.     

Applications of laser for ceramic alloying on metallic surfaces

Summary Ceramic and metallic materials were alloyed and cladded on a C40 steel by means of a CO₂ laser heat source. The main objectives of the research were to obtain a surface modification of the C40 steel in order to increase its wear resistance and to develop a repeatable coating process of potential industrial application. In the following sections, the laser coating process (including experimental equipment and working parameters) and the most important metallurgical results are described.     

Study on solid structure of pentacene thin films using Raman imaging

We present a 532‐nm excited Raman imaging study of pentacene thin films (thickness, 2, 5, 10, 20, 50, 100, and 150 nm) prepared on an SiO₂ surface. The structure of the pentacene films has been investigated by images and histograms of the ratio (R) of intensity of the 1596‐cm⁻¹ band (b_3g) to that of the 1533‐cm⁻¹ band (a_g), which can be used as a marker of solid‐state phases: 1.54‐nm and 1.44‐nm phases. The Raman images showed that island‐like 1.44‐nm phase domains are grown on the 1.54‐nm phase layer from 50 nm, and all the surface of the 1.54‐nm phase layer is covered with the 1.44‐nm phase layer from 100 nm. The structural disorders have been discussed on the basis of the full width at half maximum of a band in the histogram of the R values for each film. Copyright © 2012 John Wiley & Sons, Ltd.     

Saturation of the image potential at the metallic surfaces

Summary A quantum-mechanical calculation of the potential energy of a moving charged particle at the metal surface is presented for a number of metals. We include both the plasmon dispersions and quantum recoil in obtaining our results. It is found that both these effects are important in determining the value of the saturated potential.

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Riassunto Si presenta un calcolo quantomeccanico dell’energia potenziale di una particella carica in movimento sulla superficie metallica, per un certo numero di metalli. Nell’ottenere i nostri risultati includiamo sia le dispersioni del plasma che il rinculo quantistico. Si trova che entrambi questi effetti sono importanti nel determinare il valore del potenziale saturo.

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Реюме Для ряда металлов проводится квантовомезаническое вычислехие потехциалъной энергии движушейся заряженной частицы на металлической поверхности. Приi вычислениях учитывается дисперсия плаэмонов и квантовая отдача. Обнаружено, чмо эффеекта являются важными при определении определении величны насыщенного потенциала.

     

蒙特卡罗模拟单阻止柱双散射体质子束流扩展方法

束流扩展是研究质子治疗大体积深度肿瘤的基础,利用Monte Carlo多粒子模拟软件Fluka2006.3b.10,计算质子经过单阻止柱双散射体后束流横向分布特性,与相同条件下由Highland公式经解析计算相比较.结果表明:在束流分布均匀性大于95%的范围内,Fluka计算得到的质子通量小于由Highland公式经解析计算得到的结果,膜薄的条件下二者符合好于膜厚的条件.束流扩展半径随着两个散射膜厚度的增加而增大,束流利用率先增加后减小,最大值是16.9%.     

可用于光存储的氧化物、次氧化物薄膜材料的研究及发展

介绍了可用于可录、可擦除、全息光存储及超分辨掩膜层的氧化物、次氧化物薄膜材料的种类、制备方法、光存储特性和存储机制。这类薄膜材料由于具有种类多、应用范围广、制备方法多样、写入灵敏度高和记录稳定性好等优点 ,正受到各国研究者越来越多的关注。分析总结了这类材料的研究现状、存在的主要问题和未来发展方向     

Dynamic properties of epidemic spreading on finite size complex networks

The Internet presents a complex topological structure, on which computer viruses can easily spread. By using theoretical analysis and computer simulation methods, the dynamic process of disease spreading on finite size networks with complex topological structure is investigated. On the finite size networks, the spreading process of SIS （susceptibleinfected-susceptible） model is a finite Markov chain with an absorbing state. Two parameters, the survival probability and the conditional infecting probability, are introduced to describe the dynamic properties of disease spreading on finite size networks. Our results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks. Also, knowledge about the dynamic character of virus spreading is helpful for adopting immunity policy.     

Effect of incubation period on epidemic spreading in complex networks

We study the effect of incubation period on epidemic spreading in the Barabasi--Albert scale-free network and the Watts--Strogatz small world network by using a Suspectable-Incubated-Infected-Suspectable model. Our analytical investigations show that the epidemic threshold is independent of incubation period in both networks, which is verified by our large-scale simulation results. We also investigate the effect of incubation period on the epidemic dynamics in a supercritical regime. It is found that with the increase of incubation period Ω , a damped oscillation evolution of ρ_T(the ratio of persons in incubated state) appears and the time needed to reach a saturation value increases. Moreover, the steady value of ρ_T increases and approaches to an asymptotic constant with the value of {\it\Omega} increasing. As a result, the infected ratio ρ_I decreases with the increase of Ω according to a power law.     

Further experimental evidences of thermal spreading of tungsten oxide on zirconia

The effects brought about by the time of thermal treatment as well as the water content in the gas phase during the thermal spreading of WO₃ on zirconia were investigated. Diffuse reflectance UV-vis spectroscopy evidenced the thermal spreading phenomenon and revealed the formation of polymeric tungsten dispersed species. Neither the thermal treatment time nor the water content showed to influence the nature of the dispersed species, which reveal to present thermodynamically preferential molecular structures. Infrared spectroscopy analysis of adsorbed pyridine evidenced that the polytungstate species lead to the generation of Brönsted acid sites. Lewis acid sites stronger than those naturally present on zirconia could also be detected in addition to weaker Lewis sites, which were associated to the WO₃ still present in the catalysts as showed by X-ray diffraction.