无格点基底表面的杂质分布对分枝状凝聚体的影响

根据含杂质熔融玻璃表面金原子凝聚的实验规律，在原子团簇具有随机的线扩散步长和刚性转动角的特征条件下，建立了含杂质无格点基底表面上改进的杂质限制团簇-团簇(IRCCA)凝聚模型.对团簇的扩散、刚性转动以及凝聚全过程进行了计算机模拟，系统地研究了杂质区域分布情况对分枝状凝聚体诸多特性的影响.结果表明规则分布的杂质对凝聚体生长的影响比随机分布的杂质大，导致杂质规则分布的基底表面上的分枝状凝聚体的数密度更大，分枝状凝聚体的回旋半径，凝聚体平均大小及分形维数更小. 关键词： 薄膜生长 Monte Carlo模拟 分形 杂质     

无序杂质区域对沉积在胶体基底表面的金原子凝聚体分形结构的影响

由于受基底表面无规分布杂质的影响,沉积在熔融玻璃基底表面的金原子凝聚形成了具有特殊结构的分形凝聚体.根据这一实验结果,建立了各向异性的团簇团簇凝聚模型,对此类胶体基底表面的金原子分枝状凝聚体的生长过程进行了计算机模拟,研究了无规分布的杂质区域对凝聚体各种参数的影响,其结果与实验相符合 关键词： 薄膜生长 MonteCarlo模拟 分形     

银原子在液体基底上的凝聚特性

研究了沉积在液体基底表面上的银原子的扩散和凝聚特性．实验结果表明：银原子在液体表面先形成准圆形的团族，然后通过无规扩散而逐渐凝聚成具有分枝状的凝聚体．准圆形团簇的平均半径以及凝聚速率均随沉积速率的变化而变化．还提出了一个凝聚速率概率模型，计算结果与凝聚速率的实验曲线相符合． 关键词：     

具有排斥相互作用的原子团簇非平衡系统研究

在无格点基底表面建立了存在排斥相互作用的原子团簇凝聚及扩散模型，对沉积在均匀带电硅油基底表面的银原子凝聚过程进行了研究.结果表明：当沉积原子凝聚成稳定的原子团簇后，由于带同种电荷，团簇之间存在库仑排斥作用，团簇数密度随时间呈指数形式衰减，衰减时间常数为Oa_a；两团簇相互离散的相对平均速率V与它们之间的相对距离L在 统计意义上成正比，即V=HL.停止沉积后初期,H≈Oa_a，然后随着扩散时间的增 加，H逐渐趋于零；随着液体基底黏滞系数增加，摩擦力增大，H逐渐减小，摩 关键词： 排斥相互作用 团簇 扩散     

带电液体基底表面银原子的凝聚和扩散行为

研究了沉积在带电液体基底(硅油)表面的银原子的凝聚以及扩散行为.先采用热阴极电子发射方法使液体基底表面均匀带电,然后用蒸发沉积方法将银原子沉积到带电的液体基底表面.实验发现:被沉积的银原子首先凝聚成直径约为12μm的准圆形团簇,然后由于库仑排斥力作用而相互离散,所有团簇均向基底的四周边缘漂移;基底表面的团簇数密度n随时间t指数衰减,衰减时间常量Of≈11×10-4s-1;两团簇相互离散的相对平均速率V与它们之间的相对距离L在统计意义上成正比,即V=HL,其中沉积刚结束时常量H≈29×10-4s-1,然后随扩散时间t而逐渐趋于零.分析表明:由于带电银原子团簇的扩散运动,使基底表面的电荷重新分布,基底表面的电场随时间逐渐趋向于处处均匀 关键词： 薄膜 扩散 凝聚     

非均质基底表面上团簇生长的Monte Carlo模拟

Monte Carlo方法模拟了在非均质基底表面上团簇的生长过程.非均质基底由规则分布的A，B两类不同性质的物质(不同材料、不同温度等)组成.沉积粒子的初动能为E₀，在不同相基底上单位长度扩散的能耗为E_A,E_B，粒子从A经过相界扩散到B的能耗为E_AB.模拟中粒子的初动能E₀.远大于E_A,E_B，粒子从B过相界到A能耗E_BA取为0.结果表明，沉积在此类基底表面的粒子凝聚成具有分形结构的团簇.当E_AB远大于E_A,E_B时，团簇的数目、团簇的回旋半径、团簇的分形维数均随E₀/E_AB呈周期性变化. 关键词： 分形团簇 非均质基底 Monte Carlo模拟 周期性     

封面说明

采用气相沉积方法在液相基底表面成功制备了一种具有近似自由支撑的新型铁薄膜系统．该薄膜的生长机制服从所谓的二阶段生长模型：沉积铁原子在液相基底表面首先成核并凝聚成准圆形原子团簇；然后这些原子团簇在液体表面做无规扩散和旋转运动，从而形成分枝状凝聚体(上图)，并随着薄膜名义厚度的增加，分枝状凝聚体逐渐相互连接成网状薄膜，     

金原子在熔融玻璃表面的凝聚特性

研究了沉积在熔融玻璃表面的金原子的扩散、凝聚以及结晶行为.实验结果表明:金原子在胶状的玻璃表面先形成具有特征结构的网状薄膜,其中金原子晶粒直径约为20nm;然后网孔逐渐增大直至薄膜破裂,金原子凝聚成准圆形的团族,其饱和直径约为1.2μm,扩散系数为10^-7—10^-8cm²/s数量级;通过快速且准无规地扩散,准圆形团簇最终凝聚成直径约为50μm的大型分枝状凝聚体 关键词： 薄膜 凝聚 扩散     

纳米铜团簇扩散性质研究

本文通过分子动力学模拟研究了纳米铜团簇的自扩散性质,结果表明Nc8949铜团簇自扩散系数随温度的升高而增大,在温度为1000 K时纳米铜团簇的扩散系数随团簇半径的倒数基本呈线性增加.同时指出在常温下团簇几乎无扩散行为,而某些文献中关于常温下晶粒扩散分子动力学模拟结果是模拟体系宏观转动造成的虚假现象.?     

扩散系数局域变化对生长亚单层薄膜的影响

将Au沉积在PVF有机膜基底上生成亚单层薄膜,发现了不同于金属/单晶组合的亚单层表面形貌,即某些表面区域形成特别大的团簇,而团簇周围有一近似圆形空带．推测这是由于表面局部区域扩散系数发生变化引起的,用改进后包括边缘扩散的DDA模型证明了这一推测．模拟的结果还表明在PVF膜基底上,Au团簇所包含的原子数S与团簇扩散系数D_S应呈指数关系. 关键词：     

Kinetic Simulation of Fractal Aggregation on Liquid Surfaces

A modified fractal growth model based on the deposition, diffusion, and aggregation (DDA) with cluster rotation is presented to simulate two-dimensional fractal aggregation on liquid surfaces. The mobility (including diffusion and rotation) of clusters is related to its mass, which is given by D_m=D₀ s^-γ_D and θ_m=θ₀s^-γ_θ, respectively. We concentrate on revealing the details of the influence of deposition flux F, cluster diffusion factor γ_D and cluster rotation factor γ_θ on the dynamics of fractal aggregation on liquid surfaces. It is shown that the morphologies of clusters and values of cluster density and fractal dimension depend dramatically on the deposition flux and migration factors of clusters.     

Dynamic Scaling of Ramified Clusters Formed on Liquid Surfaces

A comprehensive simulation model -- deposition, diffusion, rotation, reaction and aggregation model is presented to simulate the formation processes of ramified clusters on liquid surfaces, where clusters can disuse and rotate easily. The mobility （including diffusion and rotation） of clusters is related to its mass, which is given by Dm = Dos^-γD and θm = θos^-γθ, respectively. The influence of the reaction probability on the kinetics and structure formation is included in the simulation model. We concentrate on revealing dynamic scaling during ramified cluster formation. For this purpose, the time evolution of the cluster density and the weight-average cluster size as well as the cluster-size distribution scaling function at different time are determined for various conditions. The dependence of the cluster density on the deposition flux and time-dependence of fractal dimension are also investigated. The obtained results are helpful in understanding the formation of clusters or thin film growth on liquid surfaces.     

FORMATIONS OF FRACTAL ISLANDS AGGREGATED WITH DISCS IN GAUSSIAN DISTRIBUTION ON NONLATTICE SUBSTRATES

The growth mechanism of fractal islands on a two-dimensional nonlattice substrate with periodic boundary conditions has been investigated by using Monte Carlo technique. Results show that the fractal dimension d_f of the final ramified islands is almost independent of the diffusion step length, mobility and rigid rotation of the islands. The characteristics of the size distribution of the discs in an island do not change the dimension d_f of the island. However, we find that d_f increases linearly with the surface coverage ρ of the system and its slope decreases with the increase of the mean diameter of the discs.     

Diffusion of palladium clusters on magnesium oxide

The diffusion of small palladium clusters on MgO(100) is theoretically investigated. It is found that small clusters can diffuse even faster than isolated adatoms by a variety of mechanisms (some of which are novel), such as dimer rotation, trimer walking, tetramer rolling, and sliding. The consequences of the diffusion of small clusters on the growth of Pd aggregates on MgO(100) are investigated, and it is shown that fast mobility of clusters larger than a single atom is essential to bring the theoretical results into agreement with the outcome of molecular beam epitaxy experiments.     

Fractal Aggregation Under Rotation

By means of the Monte Carlo simulation, a fractal growth model is introduced to describe diffusion-limited aggregation (DLA) under rotation. Patterns which are different from the classical DLA model are observed and the fractal dimension of such clusters is calculated. It is found that the pattern of the clusters and their fractal dimension depend strongly on the rotation velocity of the diffusing particle. Our results indicate the transition from fractal to non-fractal behavior of growing cluster with increasing rotation velocity, i.e. for small enough angular velocity ω; thefractal dimension decreases with increasing ω;, but then, with increasing rotation velocity, the fractal dimension increases and the cluster becomes compact and tends to non-fractal.     

Kinetic Monte Carlo simulations of Au clusters on Si(111)-7 × 7 surface

Self-assembled growth of Au nanoclusters on the Si(111)-7 × 7 surface has been studied using kinetic Monte Carlo simulations. A model considering various atomic processes of deposition, adsorption, diffusion, nucleation, and aggregation is introduced, and the main energetic parameters are optimized based on the experimental results. The evolution of surface morphology during Au growth is simulated in real time, from which the atomic behaviors of Au could be really captured. Most of Au atoms diffuse on the substrate in the very early stage of growth, and Au clusters nucleate and grow with the increasing coverage. The competition among various atomic processes results in the distinct distribution of Au clusters under different coverages. The growth conditions are further optimized, showing that the higher uniformity of Au clusters would be obtained at a low deposition rate and an optimal substrate temperature of about 380 K.