Connection of Gibbs layer gatherings with rate of mass transfer upon deposition of thin films with presence of impurity

The Gibbs layer gatherings on the condensation front of silver vapor in the presence of water vapor are analyzed. The front of condensation for analyzing the Gibbs concentration excess is calculated with the use of the modified Langmuir’s model of sorption. At a fixed flow of silver vapor and temperature of the substrate, the water-vapor pressure varies. Calculations have shown that the change of the water-vapor pressure changes the structure of the silver condensate, the structure of Gibbs layers, and microroughness on the condensation front. As a consequence, the efficiency of mass transfer varies. With growth of the water-vapor pressure, the condensation efficiency of both vapor components decreases. For obtaining the most equal surface of condensed silver film there is an optimum water-vapor pressure. The results allow the influence of noncondensed gas impurity on growth of thin films to be understood in greater detail and help to choose optimum modes for vacuum deposition. A general conclusion regarding the connection of the Gibbs layers and microroughness of the condensation surface with the intensity of mass transfer, leaving a framework of vacuum deposition processes, is drawn.     

Phase transformations of a condensate on a crystal surface in a strong electric field

The evolution of the phase state of the water vapor condensate of the silver iodide crystal surface in an applied electric field up to 10 V/nm is studied by computer simulation. The previously found domain structure of the contact layer is stable against the external field and remains up to the complete break of the molecular film. In a strong electric field, the film condensation mode is changed by the formation of a new phase consisting of molecular nanothreads growing in the direction of the electric field lines. The transition to the new state is sharp. The presence of a phase transition is likely analogous to that accompanying the transformation of water microdrops to the superpolarized state under the action of an external electric field at stratospheric temperatures.     

Efimov states in a Bose-Einstein condensate near a Feshbach resonance

Recent experiments with Bose-Einstein condensates of 85Rb atoms near a Feshbach resonance have produced evidence for a condensate of diatomic molecules coexisting with the atom condensate. It should also be possible to create condensates of the triatomic molecules predicted by Efimov coexisting with the atom and dimer condensates. The smoking gun for the trimer condensate would be oscillatory dependence of observables on the binding energy of the trimer. It may also be possible to deduce the existence of the trimer condensate from the spectra of the bursts of atoms and dimers created in the disappearance of the trimers.     

Modelling of condensation at spherical expansion of water vapor into vacuum

The mathematical model of water vapor condensation was developed for the direct simulation Monte Carlo method. This model describes a chain of reactions providing formation and decay of water clusters with consideration of accompanying energy transfer processes. One-dimensional expansion of water vapor into vacuum from an evaporating spherical surface was studied numerically within the range of parameters, corresponding to the flows transitional by the Knudsen number. The influence of condensation on the gas-dynamic pattern of the flow, including the parameters of the Knudsen layer, is discussed. The work was financially supported by the Russian Foundation for Basic Research (Grant No. 07-01-00354-a).     

IR spectroscopic study of surface properties of amorphous water ice

The state of the surface of amorphous ice with a specific surface area of about 160 m²/g obtained by the condensation of water vapor at 77 K is studied by IR spectroscopy. As the temperature increases to 130–160 K, absorption bands of surface hydroxyl groups vanish, whereas changes in bands characteristic of hydroxyl groups in the bulk of ice are indicative of a phase transition of ice from amorphous to the polycrystalline structure. The surface sites of amorphous ice are characterized with low-temperature adsorption of carbon monoxide. It is shown that there are two types of CO adsorption sites, free hydroxyl groups and oxygen atoms of surface coordinately unsaturated water molecules. Upon adsorption of nitrogen, methane, and carbon monoxide, in addition to the perturbation of surface OH groups, reversible changes in the spectrum are observed in the region of vibrations of bulk hydroxyls, which indicate that the strength of hydrogen bonds between water molecules in the surface layer of icy particles increases approaching the strength of these bonds in the crystal and that the ice surface becomes less amorphous. These results indicate that the properties of the ice surface layer substantially depend on the presence of adsorbed molecules.     

Conditions for growth of columnar and filamentary crystals

The computer model of the initial stage of condensation processes is developed. The stochastic processes of adsorption, surface diffusion, and desorption occur on the 70×70 lattice of adsorption vacancies. The model was tested by an example close to water vapor sorption on a conventional crystal surface. Computed results demonstrate the processes of nucleation, growth of crystals, and developed condensation. Computations were carried out for various adsorption energies. Results showed that with decreasing energy of adsorption the character and rate of nucleation and subsequent condensation vary. With decreasing energy of adsorption the probability of nucleation of islets on substrate reduces, the filling of the next atomic layers on islets occurs earlier than the filling of the substrate, the growth rate of islets in height increases as compared to condensation of a continuous film, and the growth rate of area of islets decreases. There is a typical energy of adsorption at which the growth rate of islets in height reaches its maximum. At a further drop of adsorption energy, there is a growth of islets only in height, the growth rate, however, reduces. The phenomena revealed in computations illustrate the mechanism of origin of columnar and filamentary crystals.     

Several Specifics of Silicon Atom Condensation on the Surface of a Tungsten Single Crystal

Technical Physics - Field emission microscopy was used to study Si condensation on a W surface by varying substrate temperature T and number n of monoatomic layers of the precipitated condensate. A...     

掺AlZnO纳米线阵列的光致发光特性研究

采用化学气相沉积方法，以金做催化剂，在Si (100)衬底上制备了掺AlZnO纳米线阵列.扫描电子显微镜(SEM)表征发现ZnO纳米线的直径在30nm左右.X射线衍射(XRD)图谱上只存在ZnO的(002)衍射峰，说明ZnO纳米线沿c轴择优取向.掺AlZnO纳米线阵列的室温光致发光(PL)谱中出现了3个带边激子发射峰：373nm，375nm，389nm.运用激子理论推算出掺AlZnO纳米线的禁带宽度为3.343eV ，束缚激子结合能为0.156eV；纯ZnO纳米线阵列PL谱中3个带边激子发射 关键词： 光致发光 化学气相沉积(CVD) 激子 ZnO纳米线阵列     

Anomalous atmospheric absorption spectra due to water dimer

The anomalous atmospheric absorption spectra in the window wavelength region of 8–14 um have been suggested due to the water dimer. Based on our laboratory measurements, water continuum CO₂ laser absorption spectra and a resonance absorption line due to the weak local water vapor pure rotational transition have been reported. The equilibrium concentration of water dimers in the atmosphere, the electronic binding energy and the theoretical calculations for absorption attenuation have been obtained in agreement with published data.     

超亲水-超疏水组合壁面冷凝性能研究

本文通过水热法,结合气相沉积法和掩膜紫外光刻法,在玻璃基底上成功地制备了一种具有多尺度结构的超亲水-超疏水组合壁面,并对制备的具有不同润湿差异的组合壁面的冷凝效率进行了测试。结果表明壁面的冷凝效率取决于亲疏水区域的宽度和润湿性差异,其中当亲水区域宽度为0.80 mm,接触角约为0°,疏水区域宽度为0.95 mm,接触角为158°时,其冷凝效率相比光滑铜片的冷凝效率可以提高39%。进一步分析表明,液滴在极端润湿模式的组合表面的润湿分界线处具有较高的体积传输速率,且在超亲水区形成的连续微流通道加快了冷凝液滴快速排放,提高了整体表面的自更新能力。本文的研究,将为复杂润湿界面滴状冷凝的优化提供方向。     

不同压力下竖直管外Marangoni凝结换热特性研究

本文在不同压力状态下对水与酒精混合蒸汽在竖直管外Marangoni凝结换热特性进行了可视化实验研究,观测到不同过冷度下的凝结状态.实验结果表明,在相同流速和浓度条件下,酒精浓度较低时凝结换热系数随蒸汽压力的升高而升高.但在高酒精浓度下,凝结液表面张力梯度减小,扩散热阻的影响增大,蒸汽压力对于凝结换热系数的影响并不明显.     

Model of filmwise vapor condensation on curved surfaces

A three-dimensional unsteady model of filmwise vapor condensation on a curved surface that takes into account the mass forces, the surface tension, and the friction on the surface of the condensate film is developed. This model generalizes the previous models of the filmwise vapor condensation. An evolution equation is derived for a condensate-layer thickness. Numerical algorithms are developed for solving the evolution equation. The condensation of ethanol vapor moving in a round tube is calculated. The effect of the tube diameter on the intensity of condensation is analyzed.     

Capillary condensation in atomic scale friction: how water acts like a glue

We present atomic-scale friction force measurements that strongly suggest that the capillary condensation of water between a tungsten tip and a graphite surface leads to the formation of ice at room temperature. This phenomenon increases the friction force, introduces a short-term memory in the form of an elastic response against shearing, and allows us to "write" a temporary line of ice on a hydrophobic surface. Rearrangements of the condensate are shown to take place on a surprisingly slow time scale of seconds.     

Modeling of vapor condensation in a longitudinally finned minichannel

Heat transfer with vapor condensation inside a longitudinally finned tube is numerically studied. The proposed model considers vapor condensation on two initial flow areas, namely, annular and rivulet. The model allows prediction of pressure difference along the tube length, vapor velocity profiles in the central channel and an interfin groove, and also a velocity profile in the condensate rivulet at the bottom of the interfin channel, local heat transfer coefficients at different fin points, and average heat transfer coefficients over tube section and length. The calculations showed that in the case of vapor condensation in longitudinally finned tubes of a small diameter it is of fundamental importance to divide the flow tube section into a central channel and interfin channels. The governing vapor velocities in these channels may differ by more than an order of magnitude. The reduced vapor velocity, used in engineering calculations, does not reflect the character of dynamic vapor impact on a condensate film on the most part of the heat transfer surface. For tubes with relatively large fins the proposed model describes vapor condensation almost completely,meanwhile, the mass vapor quality by the time of filling of the grooves reaches 0.01–0.05. The highest heat transfer intensification was obtained for “sharp fins” with a high value of the fin head curvature. Comparison of results of calculation by the model with results of the known experiments on water vapor condensation yields a good qualitative and quantitative agreement for low vapor velocities at the channel inlet (under 30 m/s). The wall thermal conductivity coefficient value affects significantly the condensation efficiency.     

Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces'

The adsorption of methylphosphonic acid (MPA, formula CH₃–PO₃H₂) on ZnO(10-10) surfaces has been investigated by first-principles density-functional total energy calculations. We show that substrate mediated interactions between co-adsorbates can significantly affect the binding energy of MPA on the ZnO surface, which leads to a preferential molecular dimer assembly along the polar [0001] direction (i.e. along the Zn–O dimer direction). We propose that this is caused by a local charge compensation mechanism due to the relaxation of the ZnO surface and suggest that this concept can be applied to other adsorbates on metal oxide surfaces with metal–oxygen dimers.     

Tunable surface wettability of ZnO nanorods prepared by two-step method

Zinc oxide (ZnO) nanorods were deposited on silicon substrate by two-step method. The crystal structure, surface morphology and water contact angle (WCA) were measured by X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), and water contact angle apparatus. It is demonstrated that the WCA of the as-grown ZnO nanorods varies between 136° and 43° and the contact angle reduction rate of ZnO nanorods changes rapidly with increasing growth time. The variation of contact angle in the as-grown samples and contact angle reduction rate has been attributed to the combined effects of the proportion of nonpolar planes in the outermost surface, the area fraction of vapor on the surface and the increase of surface energy of ZnO nanorods.     

Stimulation of vapor nucleation on perfect and imperfect hexagonal lattice surfaces

Monte Carlo simulations of water vapor nucleation on a perfect crystal surface and on a surface with defects are performed. Mass exchange with the vapor phase is modeled by using an open ensemble. Cluster-substrate interaction is described in terms of conventional atom-atom potentials. The Hamiltonian of the system includes expressions for electrostatic, polarization, exchange, and dispersion interactions. The Gibbs free energy and work of adsorption are calculated by Monte Carlo simulation in the bicano?nical ensemble. The microscopic structure of nuclei is analyzed in terms of pair correlation functions. Periodic boundary conditions are used to simulate an infinite substrate surface. Molecule-substrate and molecule-molecule long-range electrostatic interactions are calculated by summing the Fourier harmonics of the electrostatic potential. Dispersion interactions are calculated by direct summation over layers of unit cells. Nucleation on a surface with matching structure follows a layer-by-layer mechanism. The work of adsorption per molecule of a monolayer on the substrate surface has a maximum as a function of nucleus size. The steady rate of nucleation of islands of supercritical size is evaluated. The work of adsorption per molecule for layer-by-layer film growth is an oscillating function of cluster size. As a function of layer number, it has a minimum depending on the vapor pressure. The electric field generated by a microscopic surface protrusion destroys the layered structure of the condensate and eliminates free-energy nucleation barriers. However, point lattice defects do not stimulate explosive nucleation.     

二聚物在Cu表面上的扩散和解离研究

利用分子动力学模拟统计了几种不同温度下三种不同二聚物(Cu₂, Ag₂和Pd₂)在铜衬底(100), (111)表面上的扩散和解离行为, 探讨同质和异质二聚物在Cu表面上扩散和解离的特点; 采用分子动力学中的静态计算方法计算了这三种二聚物在扩散和解离过程中的能量势垒, 并与动力学模拟、二聚物与衬底的结合能等结果进行了比较, 探讨二聚物扩散和解离过程与扩散势垒、结合能、表面性质和温度等的关系. 原子间相互作用采用半经验EAM势. 结果表明: 同质和异质二聚物在各个不同表面上的扩散势垒、解离势垒有一定的规律, 并和二聚物与衬底的结合性质有关; 二聚物是否易解离与衬底表面的结构以及二聚物与衬底的结合性质关系密切; 二聚物解离前协同扩散的快慢与二聚物和衬底的结合性质以及二聚物在表面的扩散和解离势垒密切相关.     

Desorption and crystallization kinetics in nanoscale thin films of amorphous water ice

The amorphous to crystalline ice phase transition is studied by measuring the water desorption rate from nanoscale thin films of water vapor deposited on Au(111) and Ru(001) single crystal metallic substrates. The desorption kinetics are substrate dependent and suggest strongly that the film morphology is governed by the hydrophilicity of the substrate. The crystallization kinetics are independent of substrate but depend strongly on both temperature and film thickness and are consistent with a spatially random nucleation and isotropic growth model.     

水平梯度表面能材料表面上的滴状凝结换热系数

本文在均质表面的单个球缺形液滴换热模型和液滴通用尺度分布规律的基础上,结合梯度表面能材料表面的液滴分布和凝结换热特性,得到了一维水平梯度表面能材料表面上的滴状凝结换热计算式。在此基础上,研究了壁面过冷度、接触角梯度、工质物性等参数对梯度表面能材料表面滴状凝结换热性能的影响。结果表明:随着过冷度的增加和凝结工质汽化潜热的增大和表面张力的减小和接触角梯度的增大,平均表面凝结换热系数会增大。