化学气相沉积中影蔽效应对硅薄膜表面形貌和微结构的影响

采用斜入射热丝化学气相沉积技术(OAD-HWCVD),研究了气流入射角度(θ)对氢化非晶硅(a-Si:H)薄膜表面和微结构的影响.实验发现,薄膜厚度为1μm时,均方根粗糙度与tanθ成指数关系;在入射角度为75°时,薄膜表面由自仿射表面转变为mound表面.采用拉曼谱和红外谱表征了硅薄膜的微结构随气流入射角度的变化.在薄膜转变为mound表面生长之前,随入射角度的增加,准局域的影蔽效应使得薄膜中微空洞的数目及尺寸增加,导致薄膜微结构因子升高、致密度下降、薄膜质量变差.在薄膜转变为mound表面生长之后,非局域的影蔽效应导致大尺度的空洞,同时薄膜中以Si-Hn(n 2)形式存在的氢增多.本文以非晶硅薄膜为例,结合标度理论,分析了薄膜生长过程中的表面形貌和微结构与影蔽效应的关系.     

含遮蔽抛射沉积模型的有限尺寸效应

含遮蔽抛射沉积模型是在抛射沉积(BD)模型的基础上考虑了粒子以一定的角度分布倾斜入射的情况.本文应用外推方法确定了大尺寸极限下含遮蔽抛射沉积模型的各标度指数,讨论了该模型的有限尺寸效应及其标度性质.从模拟结果可以看出含遮蔽BD模型的有限尺寸效应与BD模型有所不同,遮蔽这种非局域作用可以显著地改变BD模型的标度性质. 关键词： 遮蔽效应 抛射沉积模型 有限尺寸效应 动力学标度     

Ni原子倾斜轰击Pt(111)表面低能溅射现象的分子动力学模拟

采用嵌入原子方法的原子间相互作用势,通过分子动力学模拟详细研究了以不同角度入射的低能Ni原子与Pt (111)基体表面相互作用过程中的低能溅射行为.结果表明:随着入射角度从0°增加到80°,溅射产额Y_s和入射原子钉扎系数S的变化均可以根据入射角θ近似地分为以下三个区域:当θ ≤ 20°时,Y_s和S几乎保持不变,其值与垂直入射时接近,溅射原子的发射角分布和能量分布也与垂直入射时的情 关键词： 分子动力学模拟 入射角 低能溅射     

斜入射离子束辅助沉积对类金刚石薄膜结构影响的分子动力学模拟

采用分子动力学（MD）模拟方法,从原子尺度上研究了离子束辅助沉积（IBAD）类金刚石（DLC）薄膜过程中离子束入射角对薄膜结构的影响.重点讨论了不同的离子束入射角所对应的薄膜表面模型,平均密度和sp³键含量.结果表明,离子束斜入射加强了入射原子的水平动能,从而加强了原子水平迁移;Ar离子斜入射时C原子迁移率均比垂直入射大,薄膜密度和sp³键含量都比垂直入射小.不同的离子束入射角随着到达比和入射能的变化,对薄膜结构的影响不同.离子束斜入射时可以得到不同结构的膜. 关键词： 类金刚石薄膜 入射角 离子束辅助沉积 分子动力学模拟     

分形基底上刻蚀模型动力学标度行为的 数值模拟研究

为探讨分形基底结构对生长表面标度行为的影响, 本文采用Kinetic Monte Carlo(KMC)方法模拟了刻蚀模型(etching model)在谢尔宾斯基箭头和蟹状分形基底上刻蚀表面的动力学行为. 研究表明,在两种分形基底上的刻蚀模型都表现出很好的动力学标度行为, 并且满足Family-Vicsek标度规律. 虽然谢尔宾斯基箭头和蟹状分形基底的分形维数相同, 但模拟得到的标度指数却不同, 并且粗糙度指数 α与动力学指数z也不满足在欧几里得基底上成立的标度关系α+z=2. 由此可以看出, 标度指数不仅与基底的分形维数有关, 而且和分形基底的具体结构有关.     

Kuramoto-Sivashinsky与Karda-Parisi-Zhang模型中生长界面分形特性研究

在（2＋1）维情况下，利用数值模拟研究了Kuramoto-Sivashinsky (K-S)与Karda-Parisi-Z hang (KPZ)模型所决定的非平衡态界面生长演化过程.结果表明，KPZ与K-S模型都表现出明 显的时间和空间标度特性.相对于KPZ模型而言，K-S模型所对应的表面具有更明显的颗粒特 征，当生长时间较长时，生长界面呈现蜂窝状结构.通过数值相关分析得到了生长界面的粗 糙度指数、生长指数和动态标度指数等参数.从两种模型对应的表面形貌特征和表面参数来 看，在(2+1)维情况下，KPZ与K-S模型所决定的表面具有完全不同的动态标度行为，属于不 同的两类物理模型. 关键词： Kuramoto-Sivashinsky (K-S)模型 Karda-Parisi-Zhang(KPZ)模型 分形 数值模拟     

磁化非均匀等离子体中模转换机制对电磁波吸收的数值研究

用数值方法研究磁化非均匀等离子体(磁场与密度梯度垂直)中模转换机制对p极化电磁波的吸收效应,重点考虑磁场对吸收率的影响,结果表明:与非磁化等离子体相比,磁场的加入使得吸收率曲线相对入射角的分布发生小的偏移,吸收率为零的位置不是发生在零度入射(即垂直入射)时.而是在一个负的入射角位置,垂直入射时有不为零的吸收率,且正角度范围与负角度范围的峰值吸收率不相等,磁场提高了正入射角范围内的峰值吸收率而降低了负角度范围内的峰值吸收率(或反过来,这取决于磁场方向).     

无限长非均匀圆柱对任意入射平面波的散射特性

基于无限长非均匀介质圆柱对斜入射平面波散射场公式推导,研究发现当入射角为90°时,斜入射散射公式可以简化为垂直入射的散射公式,所用的算法也可以统一.并用已有算法模拟了无限长非均匀柱粒子对任意入射平面波散射场的强度分布,并且与已有文献结果进行比较,验证了上述结论的正确性.     

随机稀释基底上刻蚀模型动力学标度行为的数值模拟研究

表面界面动力学粗化过程是凝聚态物理领域重要的研究内容,为研究基底不完整性对刻蚀模型动力学 标度行为的影响,本文采用Kinetic Monte Carlo(KMC)方法,分析研究了在随机稀释基底上刻蚀模型(Etching model)生长表面的动力学标度行为.研究发现:尽管随机稀释基底的不完整性会对刻蚀表面的动力学 行为产生显著的影响,导致刻蚀表面粗糙度指数和生长指数有明显的增加, 但其仍基本满足原有的动力学标度规律.此外,本文还对刻蚀表面动力学标度指数的有限尺寸效应进行了 分析讨论.     

固体金属二次电子发射的Monte-Carlo模拟

二次电子的发射在生产实践中有着广泛的应用,但其相关测量结果受实验环境和实验仪器的影响很大．在实验中难以精确测量．所以本文建立了一个包含二次电子激发、在固体内部传输和最后逸出固体表面的二次电子系统模型．采用Monte-Carlo的模拟方法仿真二次电子运动轨迹,定量分析二次电子的发射系数和能谱分布．并探讨它们与一次电子的入射角度和入射能量的关系．仿真结果表明：本文建立的二次电子系统模型能较好地反映实际情况．通过该模型仿真,可以定量得到二次电子发射系数和能谱分布与一次电子的入射能量和入射角度的关系．     

The dynamical origin of non-normal energy scaling and the effect of surface temperature on the trapping of low molecular weight alkanes on Pt(111)

Molecular classical dynamical simulations of alkanes trapping on platinum surfaces were performed to examine the origin of non-normal energy scaling for molecular adsorption. Conversion of normal to parallel translational energy at normal incidence and conversion of parallel translational energy into normal translational energy at glancing angles are the primary mechanisms which produce non-normal energy scaling of alkanes trapping on cold Pt(111). In addition, a tendency to convert rotational energy gained in the first gas-surface collision into normal translational energy for collisions at glancing incidence further increases the degree of non-normal energy scaling. Increasing surface temperature is shown to have little effect on energy transfer processes in the first bounce but increasing influence on subsequent bounces. Despite difficulties in defining trapping at high surface temperatures, simulations indicate that the initial trapping probability of ethane on Pt(111) does not fall by more than a factor of two over the surface temperature range of 100–700 K.     

Monostatic and bistatic statistical shadowing functions from a one-dimensional stationary randomly rough surface according to the observation length: I. Single scattering

When solving electromagnetic rough-surface scattering problems, the effect of shadowing by the surface roughness often needs to be considered, especially as the illumination angle approaches grazing incidence. This paper presents the Ricciardi-Sato, as well as the Wagner and the Smith formulations for calculating the monostatic and bistatic statistical shadowing functions from a one-dimensional rough stationary surface, which are valid for an uncorrelated Gaussian process with an infinite surface length. In this paper, these formulations are extended to include a finite surface length and any uncorrelated process. The inclusion of a finite surface length is needed to extend the single-reflection shadowing function to the more general multiple-reflection case, presented in the following companion paper. Comparisons of these shadowing functions with the exact numerical solution for the shadowing (using surfaces with Gaussian and Lorentzian autocorrelation functions for a Gaussian process) shows that the Smith formulation without correlation is a good approximation, and that including correlation only weakly improves the model. This paper also presents a method to include the shadowing effect in the electromagnetic scattering problem.     

Study on the shadowing effect for optical wave scattering from randomly rough surface

Based on the Kirchhoff approximation for rough surface scattering and by calculating the shadowing function of the rough surface, the formula of the scattering cross section of the dielectric rough surface is presented with consideration of the shadowing effect for the optical wave incidence. It is obtained that in comparison with the conventional Kirchhoff solution, the shadowing effect should not be neglected for the optical wave scattering from the rough surface. The influence of the shadowing effect for different incidence angle, surface root mean square slope, and surface roughness on the scattering cross section is discussed in detail.     

Effects of shadowing in oblique-incidence metal (100) epitaxial growth

The effects of shadowing in oblique-incidence metal (100) epitaxial growth are studied using a simplified model. We find that many of the features observed in Cu(100) growth, including the existence of a transition from anisotropic mounds to ripples perpendicular to the beam, can be explained primarily by geometrical effects. We also show that the formation of (111) facets is crucial to the development of ripples at large angles of incidence. A second transition to "rods" with (111) facets oriented parallel to the beam is also found at high deposition angles and film thicknesses.     

Shadowing function with single reflection from anisotropic Gaussian rough surface. Application to Gaussian, Lorentzian and sea correlations

In this paper, the monostatic (transmitter and receiver are located at the same place) and bistatic (transmitter and receiver are distinct) statistical shadowing functions from an anisotropic two-dimensional randomly rough surface are presented. This parameter is especially important in the case of grazing angles for computing the bistatic scattering coefficient in optical and microwave frequencies. The objective of this paper is to extend the previous work (Bourlier C, Berginc G and Saillard J 2002 Waves Random Media 12 145-74), valid for a one-dimensional surface, to a two-dimensional anistropic surface by considering a joint Gaussian process of surface slopes and heights separating two points of the surface. The monostatic average (statistical shadowing function average over the statistical variables) shadowing function is then performed in polar coordinates with respect to the incidence angle, the azimuthal direction and the surface height two-dimensional autocorrelation function. In addition, for a bistatic configuration, it depends on the incidence angle and azimuthal direction of the receiver. For Gaussian and Lorentzian correlation profiles and practically important power-type spectra such as the Pierson-Moskowitz sea roughness spectrum, the numerical solution, obtained from generating the surface Gaussian elevations (Monte Carlo method), is compared with the uncorrelated and correlated models. The results show that the correlation underestimates the shadow slightly, whereas the uncorrelated results weakly overpredict the shadow and are close to the numerical solution.     

Study of the possibility to measure the root-mean-square roughness of a shaded rough surface

The estimate of the root-mean-square roughness of a rough surface σ₁ is studied experimentally as a function of the angle of incidence. A surface with σ=1.3 μm is illuminated by laser radiation with a wavelength of 0.633 μm. The angle of incidence of radiation on the surface under study is varied from 85° to 87.5°. σ₁ is estimated under the assumption that the regime of a slightly rough surface is fulfilled for the surface studied. Theoretical estimates of σ₁ are calculated in the Kirchhoff approximation with rough surface shadowing taken into account. The greatest relative difference between experimental and theoretical estimates of σ ₁ does not exceed 0.07. The effect of rough surface shadowing on the estimate of σ is analyzed, and the possibility for exact measurement of σ₁ of a shaded rough surface is demonstrated in the case of a priori knowledge of the angle of incidence, for which this measurement is possible. A method that makes it possible to determine the angle of incidence, for which a good agreement between the measured value and the true value of σ of a shaded rough surface is possible, is proposed.     

一维粗糙面散射的射线追踪法研究

在考虑遮蔽效应的情况下,应用射线追踪法对一维导体和介质的高斯粗糙面的散射系数进行了研究,并分别计算了考虑一次反射和二次反射的散射系数。同时,利用蒙特卡罗法生成一维高斯粗糙面,计算了考虑一次、二次反射和遮蔽时不同均方根斜率粗糙面的平均散射系数。     

Application of laser speckle analysis for the assessment of cementitious surfaces subjected to laser cleaning

This paper focuses on the application of laser speckle technique for the assessment of the effectiveness of laser cleaning of cementitious surfaces. Laser speckle-based methods are non-contact, highly resolving techniques for the measurement of displacement, rotation, and strain of an illuminated area on a rough surface. Since the intensity of reflected light depends on the geometrical microstructure and colour of the samples, any alterations of the surface result in different speckle images. Analysis of speckle images presented here is based on the analysis of the distribution of intensity of reflected light obtained in a selected plane, and analysis of statistical parameters describing such distribution (skewness and kurtosis). A wide range of laser-cleaned mortar samples with different geometrical microstructure and moisture content has been subjected to the assessment by He-Ne laser. Laser speckle method has been successfully used to identify the effectiveness of the laser cleaning process with respect to different surface conditions. It appears that the changes in kurtosis and skewness should be mainly associated with the alterations of geometrical microstructure. Whereas, mean light intensity seemed to depend predominantly on the mortar's absorption characteristics (colour).