非接触铜铝纳米薄膜侧向移动相互作用的分析

采用分子动力学方法模拟铜铝纳米薄膜相对侧向移动的相互作用能。研究了铜薄膜的侧向位移从0Å到50Å时温度、相互作用间距、表面形貌和表面粗糙度对作用能的影响。结果表明,相互作用强度随温度的增加而增大,随相互作用间距的减小而增大,随表面粗糙度的增大而减小。为研究薄膜在纳米尺度的相互作用提供了一个新的方法。     

狭小间距间Cu/Al薄膜相互作用的分子动力学模拟

采用分子动力学模拟软件基于Lennard-Jones-9-6势函数研究了狭小间距Cu/Al纳米薄膜间的相互作用. 我们通过计算薄膜表面单位面积上的范德华相互作用能σ_E,综合性地讨论了非接触Cu/Al薄膜间的相互作用.结果显示,当两薄膜的间距从12Å减小到3Å时,相互作用能呈现两个阶段：起初几乎不变,然后迅速增大.临界间距在7 Å附近.在两薄膜相互靠近的过程中,相互作用能受体系尺寸、空位缺陷尺寸、表面涂层及薄膜间距的影响较大,然而几乎不受空位缺陷形状的影响.     

狭小间距间Cu/Al薄膜相互作用的分子动力学模拟

采用分子动力学模拟软件基于Lennard-Jones-9-6势函数研究了狭小间距Cu/Al纳米薄膜间的相互作用.我们通过计算薄膜表面单位面积上的范德华相互作用能,综合讨论了非接触Cu/Al薄膜间的相互作用.结果表明,当两薄膜的间距从12减小到3时,相互作用能呈现两个阶段:起初几乎不变,然后迅速增大.临界间距在7附近.在两薄膜相互靠近的过程中,相互作用能受体系尺寸、空位缺陷尺寸、表面涂层及薄膜间距的影响较大,然而几乎不受空位缺陷形状的影响.     

动力学晶格蒙特卡洛方法模拟Cu薄膜生长

利用动力学晶格蒙特卡洛方法模拟了Cu薄膜在Cu(100)面上的三维生长过程。模型中考虑了四个动力学过程:原子沉积、增原子迁移、双原子迁移和台阶边缘原子迁移,各动力学过程发生的概率由多体势函数确定。讨论了基底温度、沉积速率及原子覆盖率对Cu原子迁移、成核和表面岛生长等微观生长机制的影响;获得了Cu薄膜的表面形貌图并计算了表面粗糙度。模拟结果表明,随基底温度升高或沉积速率下降,岛的平均尺寸增大,数目减少,形状更加规则。低温时,Cu薄膜表现为分形的离散生长,高温时,Cu原子迁移能力增强形成密集的岛。Cu薄膜表面粗糙度随着基底温度的升高而迅速减小;当基底温度低于某一临界温度时,表面粗糙度随原子覆盖率或沉积速率的增大而增大;当基底温度超过临界温度时,表面粗糙度随原子覆盖率或沉积速率的变化很小,基本趋于稳定。     

高择优取向Mo薄膜的直流磁控溅射制备及其电学性能

使用直流磁控溅射法在玻璃基底上沉积Mo薄膜,采用X射线衍射仪、原子力显微镜和四探针测试系统研究了溅射工艺对Mo薄膜的结构、形貌和电学性能的影响.结果表明:当基片温度为150 ℃时,薄膜获得(211)晶面择优取向生长,而在低于250 ℃的其它温度条件下,样品则表现为(110)晶面择优取向生长.进一步的表面形貌分析显示:薄膜的粗糙度随基片温度变化不明显,其值大约为0.35 nm,随溅射功率密度的增大而变大|电学性能方面:随着溅射功率密度的升高,薄膜导电性能迅速增强,电阻率呈现近似指数函数衰减|随着基底温度的升高,薄膜的电阻率先减小后增大,当基底温度为150 ℃时,薄膜电阻率降低至最小值2.02×10-5 Ω·cm.     

非简谐振动对纳米金刚石表面性质的影响

借助米-里纳德-金斯势研究了纳米金刚石的Debye温度、表面能、表面压强、晶格参量随原子数和形状的变化规律, 探讨了非简谐振动和形状对其表面性质的影响.结果表明: 1)纳米金刚石的Debye温度和表面能随原子数的增多而增大, 其中杆状的Debye温度和表面能要小于立方形的值; 2)纳米金刚石的表面压强和低温时的晶格参量相对变化量随原子数N 的增多而减小,其中杆状的值要比立方形的值要大; 3)原子数较少时,非简谐振动效应和形状对纳米晶的Debye温度、表面能、 表面压强、晶格参量的影响显著.     

聚酰亚胺薄膜表面粗糙度的影响因素

 采用热蒸发气相沉积聚合方法（VDP）制备了聚酰亚胺(PI)薄膜,研究了设备、衬底温度、升温过程和单体配比因素对PI薄膜表面形貌的影响。利用干涉显微镜和扫描电镜对薄膜表面形貌进行了分析;利用原子力显微镜测定了薄膜表面粗糙度。结果表明：设定蒸发源-衬底距离为74 cm时可成连续膜;蒸发源采用一段升温和多段升温时,膜表面均方根粗糙度分别为291.23 nm和61.99 nm;采用细筛网可防止原料的喷溅;均苯四甲酸二酐和4,4′-二氨基二苯醚（PMDA和ODA）单体沉积速率比值为0.9∶1时,膜表面均方根粗糙度值可减小至3.30 nm;沉积衬底温度保持30 ℃左右时,膜表面均方根粗糙度为4.01 nm, 随温度的上升,膜表面质量会逐渐变差。     

溅射功率对Mo薄膜微结构和性能的影响

 实验采用直流磁控溅射沉积技术在不同溅射功率下制备Mo膜,研究了不同溅射功率下Mo膜的沉积速率、表面形貌及晶型结构,并对其晶粒尺寸和应力进行了研究。利用原子力显微镜观察样品的表面形貌发现随着溅射功率的增加,薄膜表面粗糙度逐渐增大。X射线衍射分析表明薄膜呈立方多晶结构,晶粒尺寸为14.1～17.9 nm;应力先随溅射功率的增大而增大,在40 W时达到最大值(2.383 GPa),后随溅射功率的增大有所减小。     

直流磁控溅射制备AlN薄膜的结构和表面粗糙度

采用直流磁控反应溅射法,在Si(111)基底上成功制备了多晶六方相AlN薄膜.研究了溅射过程中溅射气压对薄膜结构和表面粗糙度的影响.结果表明:当溅射气压低于0.6 Pa时,薄膜为非晶态,在傅里叶变换红外光谱中,没有明显的吸收峰;当溅射气压不低于0.6 Pa时,薄膜的X射线衍射图中均出现了六方相的AlN(100)、(110)和弱的(002)衍射峰,说明所制备的AlN薄膜为多晶态,在傅里叶变换红外光谱中,在波数为677 cm-1处有明显的吸收峰;随着溅射气压的增大,薄膜表面粗糙度先减小后增大,而薄膜的沉积速率先增大后减少,且沉积速率较大有利于减小薄膜的表面粗糙度;在溅射气压为0.6 Pa时,薄膜具有最小的表面粗糙度和最大的沉积速率.     

溶胶-凝胶法制备氧化锌薄膜的压电行为

"采用溶胶-凝胶技术在单晶硅Si(111)上制备了ZnO压电薄膜,并以扫描电镜、X射线衍射仪(XRD)和原子力显微镜(AFM)进行了表征．XRD衍射实验表明ZnO薄膜随着膜厚的增大,其(002)取向逐渐增强;AFM研究了薄膜的表面形貌、粗糙度与晶粒大小的结果表明,ZnO压电薄膜的粗糙度与晶粒寸随着薄膜厚度的增大而减小．粗糙度为2.188~0.914 nm．利用PFM研究压电系数,发现随着薄膜厚度的增加,(002)生长方向增强,压电系数逐渐增大;当力参数小于薄膜的表面粗糙度时,压电系数测量不准确且在较大幅度     

Surface roughness influence on the pull-in voltage of microswitches in presence of thermal and quantum vacuum fluctuations

In this work we investigate the influence of the combined effect from random self-affine roughness, finite conductivity, and finite temperature on the pull-in voltage in microswitches influenced by thermal and quantum vacuum fluctuations through the Casimir force and electrostatic forces. It is shown that for separations within the micron or sub-micron range the roughness influence plays a dominant role, while temperature starts to show its influence well above micron separations. Indeed, increasing the temperature leads to higher pull-in voltages since it leads to an increased Casimir force. The temperature influence is more significant for relatively large roughness exponent H ∼ 1, while its influence is significantly lower with increasing lateral roughness correlation length ξ or due to long wavelength surface smoothness.     

钛膜的电解抛光技术研究

 分析了硫酸、硝酸、氢氟酸；硫酸、乙酸、氢氟酸；乙醇、正丁醇、氯化锌、氯化铝；高氯酸、乙酸；硫酸、甲醇这５种不同电解液组成对钛薄膜表面粗糙度、表面形貌的影响，得出硫酸、甲醇混合溶液是一种较理想的电解液体系。设置合适的抛光电压、温度、时间、泵速等工艺参数，制备出了表面平整光滑，平均粗糙度小于30 nm的钛膜。分析了硫酸、甲醇电解液阳极电压与试样表面减薄速率的关系：试样的减薄速率开始随电压的升高而增大；当电压达到28～34 V时，减薄速率随电压变化很慢，当电压继续增大时，减薄速率又会迅速增大，金属膜继续溶解。     

Quantitative determination of the local structure of thymine on Cu(1 1 0) using scanned-energy mode photoelectron diffraction

The local adsorption structures of the surface species formed by interaction of thymine with a Cu(1 1 0) surface at room temperature, and after heating to ∼530 K, have been investigated. Initial characterisation by soft-X-ray photoelectron spectroscopy and O K-edge near-edge X-ray absorption fine structure (NEXAFS) indicates the effect of sequential dehydrogenation of the NH species and provides information on the molecular orientation. O 1s and N 1s scanned-energy mode photoelectron diffraction shows the species at both temperatures bond to the surface through both carbonyl O atoms and the deprotonated N atom between them, each bonding atom adopting near-atop sites on the outermost Cu surface layer. The associated bondlengths are 1.96 ± 0.03 Å for Cu-N and 1.91 ± 0.03 Å and 2.03 ± 0.03 Å for the two inequivalent Cu--O bonds. The molecular plane lies almost exactly in the close-packed azimuth, but with a tilt relative to the surface normal of approximately 20°. Heating to ∼530 K, or deposition at this temperature, appears to lead to dehydrogenation of the second N atom in the ring, but no significant change in the adsorption geometry.     

Effects of thermo-hygro-mechanical densification on the surface characteristics of trembling aspen and hybrid poplar wood veneers

The effect of thermo-hygro-mechanical (THM) densification temperature on the surface color, roughness, wettability, and chemical composition of trembling aspen (Populus tremuloides) and hybrid poplar (Populus maximowiczii × P. balsamifera) veneers was investigated. Veneers were subjected to four THM densification temperatures (160 °C, 180 °C, 200 °C, and 220 °C). Veneer color darkened with increasing THM densification temperature. Surface roughness decreased between 160 °C and 200 °C. Wettability decreased after THM densification, but no significant difference was found between treated specimens. ATR-FTIR and XPS results confirmed that THM densification caused major chemical changes in veneer surfaces, and more pronounced at temperatures higher than 160 °C.     

Effects of Thermal Lattice Vibration on the Effective Potential of Weak-Coupling Bipolaron in a Quantum Dot

Based on the Huybrechts' linear-combination operator,effects of thermal lattice vibration on the effective potential of weak-coupling bipolaron in semiconductor quantum dots are studied by using the LLP variational method and quantum statistical theory.The results show that the absolute value of the induced potential of the bipolaron increases with increasing the electron-phonon coupling strength,but decreases with increasing the temperature and the distance of electrons,respectively;the absolute value of the effective potential increases with increasing the radius of the quantum dot,electron-phonon coupling strength and the distance of electrons,respectively,but decreases with increasing the temperature;the temperature and electron-phonon interaction have the important influence on the formation and state properties of the bipolaron:the bipolarons in the bound state are closer and more stable when the electron-phonon coupling strength is larger or the temperature is lower;the confinement potential and coulomb repulsive potential between electrons are unfavorable to the formation of bipolarons in the bound state.     

Influence of superalloy substrate roughness on adhesion and oxidation behavior of magnetron-sputtered NiCoCrAlY coatings

The present study has been conducted in order to determine the influence of superalloy substrate roughness on adhesion and oxidation behavior of magnetron-sputtered NiCoCrAlY coatings. Six types of coating samples with different substrate roughness were tested. The surface roughness and real surface area of both the substrates and coatings were studied by atomic force microscopy (AFM) techniques. The scratch tests performed at progressive loads were employed to evaluate the adhesion of the coatings. Cyclic oxidation tests were performed at 1100 °C in air for 50 cycles, each cycle consisting of 1 h heating in the tube furnace followed by 15 min cooling in the open air. The AFM measurements exhibit that the surface roughness of the sputtered NiCoCrAlY coating increases with the increasing of the superalloy substrate roughness. The NiCoCrAlY coatings present slightly lower roughness than the corresponding superalloy substrate. The scratch adhesion tests indicate that the coatings on substrates with a smoother surface possess better adhesion than on those with a rougher surface. Both the real surface area and oxidation weight gain of the coatings decrease with the decreasing of the superalloy substrate roughness. The NiCoCrAlY coating sputtered on the superalloy substrate with lower roughness provides relatively higher antioxidant protection than that provided by the coating with rougher substrate.     

退火温度对声表面波检测器电极 表面粗糙度的影响*

该文实验研究了退火温度对声表面波检测器电极表面粗糙度的影响。电极表面的粗糙度随着退火温度不同而变化,实验中分别选择常温(25?C)、200?C和300?C作为退火温度对两种镀膜方式制备的声表面波器件进行退火,最后得到退火温度和电极表面粗糙度的对应关系。从实验结果来看,退火温度为200?C时,得到的电极表面粗糙度最大。该研究为声表面波检测器表面粗糙度优化及灵敏度提升提供了基础。     

Molecular dynamics and experimental studies on deposition mechanisms of ion beam sputtering

Molecular dynamics (MD) simulation and experimental methods are used to study the deposition mechanism of ionic beam sputtering (IBS), including the effects of incident energy, incident angle and deposition temperature on the growth process of nickel nanofilms. According to the simulation, the results showed that increasing the temperature of substrate decreases the surface roughness, average grain size and density. Increasing the incident angle increases the surface roughness and the average grain size of thin film, while decreasing its density. In addition, increasing the incident energy decreases the surface roughness and the average grain size of thin film, while increasing its density. For the cases of simulation, with the substrate temperature of 500 K, normal incident angle and 14.6 × 10⁻¹⁷ J are appropriate, in order to obtain a smoother surface, a small grain size and a higher density of thin film. From the experimental results, the surface roughness of thin film deposited on the substrates of Si(1 0 0) and indium tin oxide (ITO) decreases with the increasing sputtering power, while the thickness of thin film shows an approximately linear increase with the increase of sputtering power.     

Controlling Surface Interactions with Grafted Polymers

The interactions between surfaces modified with grafted polymers is studied theoretically. The aim of this work is to find polymer surface modifications that will result in localized attractive interactions between the surfaces. The practical motivation of the work is to find means to control the distance between bilayers and solid supports in supported membranes. Two theoretical approaches are used, the analytical treatment of Alexander and a molecular theory. It is found that grafting each end of the polymer to each surface results in an interaction with a well defined minimum. The location of the minima is found to be very close to the thickness of the polymer layer when the chains are grafted to only one of the surfaces. The predictions of the analytical theory are in excellent agreement with the molecular approach in this case. It is found that increasing the surface coverage increases the strength of the interaction. However, increasing the polymer chain length at fixed surface coverage results in a decrease of the free energy cost associated with separating the surfaces from their optimal distance. For the cases in which grafting to both surfaces is not possible, the molecular theory is used to study the effect of functionalizing segments of the chain to achieve an attractive well. It is found that by functionalizing the free end-groups of the polymers with segments attracted to the membrane, the range of the attractive interaction is significantly larger than the thickness of the unperturbed layer. Functionlizing the middle segments of the chains results in a shorter range attraction but of the same strength as in the end-functionalized layers. The optimal polymer modification is found to be such that the functionlized groups are attracted to the bare surface but are not attracted to the grafting surface. The relevance of the results to the design of experimental surface modifiers is discussed.