Direct observation of capillary condensation of a solid

We describe the direct condensation of a solid from vapor in an annular mica wedge. Neo-pentanol initially condenses as a liquid from 8 to 57 degrees C (the melting point T(m)), followed by nucleation of a solid from vapor for T<45 degrees C. Menthol (T(m) = 42 degrees C) gives only liquid condensates down to 12 degrees C. The adsorbed films of neo-pentanol, which unlike those of menthol show layering transitions, and the disordered crystalline phase of bulk neo-pentanol appear to facilitate condensation of the solid phase. There is evidence for a change in the nature of the solid neo-pentanol condensate with T.     

蒸气凝结相关问题探讨

讨论了几个与蒸气凝结相关的问题,指出壁面上球冠形液滴的内外压差和临界半径同样遵循经典的Laplace公式和Kalvin公式;蒸气在冷壁上的冷凝形态主要由后退接触角决定;空气中的水蒸气在换热器表面呈膜状冷凝时换热器的性能优于呈滴状冷凝时换热器的性能。     

Effect of nanostructures on evaporation and explosive boiling of thin liquid films: a molecular dynamics study

Molecular dynamics simulations have been employed to investigate the boiling phenomena of thin liquid films adsorbed on a nanostructured solid surface. The molecular system was comprised of the following: solid platinum wall, liquid argon, and argon vapor. A few layers of the liquid argon were placed on the nanoposts decorated solid surface. The nanoposts height was varied keeping the liquid film thickness constant to capture three scenarios: (i) liquid-film thickness is higher than the height of the nanoposts, (ii) liquid-film and nanoposts are of same height, and (iii) liquid-film thickness is less than the height of the nanoposts. The rest of the simulation box was filled with argon vapor. The simulation was started from its initial configuration, and once the equilibrium of the three phase system was established, the wall was suddenly heated to a higher temperature which resembles an ultrafast laser heating. Two different jump temperatures were selected: a few degrees above the boiling point to initiate normal evaporation and far above the critical point to initiate explosive boiling. Simulation results indicate nanostructures play a significant role in both cases: Argon responds very quickly for the nanostructured surface, the transition from liquid to vapor becomes more gradual, and the evaporation rate increases with the nanoposts height.     

大面积均匀纳米金刚石薄膜制备研究

报道了一种利用偏压恒流等离子辅助热丝化学气相沉积城硅基板上制备大面积均匀纳米金刚石薄膜的新工艺，在不同沉积条件下研究了纳米金刚石薄膜的成核和生长过程，并通过扫描电镜、拉曼光谱和表面粗糙度测试仪观察了纳米金刚石薄膜的结构特征。最后成功制备了直径100mm、平均晶粒尺寸10nm的光滑纳米金刚石薄膜。     

平凸型氮化硅球面微透镜的研究

介绍了用激光化学汽相沉积球面微透镜的技术，首先对激光化学汽相沉积法获得球面微透镜进行了理论分析，并用计算机分析了在一定沉积技术下的微透镜厚度剖面形状及光学聚集特性。其后介绍了激光化学汽相沉积的实验装置，用该装置在平面石英玻璃衬底上，制出了平凸型氮化硅球面微透镜，并对其参量进行了测量。     

氢化物气相外延生长高质量GaN膜生长参数优化研究

系统研究了低温成核层生长时间、高温生长时的V/Ⅲ 比以及生长温度对氢化物气相外延生长GaN膜晶体质量的影响. 研究发现合适的低温成核层为后续高温生长提供成核中心, 并能有效降低外延膜与衬底间的界面自由能, 促进成核岛的横向生长; 优化的V/Ⅲ比和最佳生长温度有利于降低晶体缺陷密度, 促进横向生长, 增强外延膜的二维生长. 利用扫描电子显微镜、原子力显微镜、高分辨X射线衍射、 低温光致发光谱和室温拉曼光谱对优化条件下生长的GaN外延膜进行了结构和光电特性表征. 测试结果表明, 膜表面平整光滑, 呈现二维生长模式表面形貌; (002)和(102)面摇摆曲线半高宽分别为317和343 arcsec; 低温光致发光谱中近带边发射峰为3.478 eV附近的中性施主束缚激子发射峰, 存在11 meV的蓝移, 半高宽为10 meV, 并且黄带发光强度很弱;常温拉曼光谱中E₂ (high) 峰发生1.1 cm^-1蓝移.结果表明, 优化条件下生长的GaN外延膜具有良好的晶体质量和光电特性, 但GaN 膜中存在压应力. 关键词： 氮化镓 氢化物气相外延 低温成核层     

可膨胀过热水系统多气核演化过程与临界过热度分析

使用分子动力学方法,研究过热水系统均质沸腾核化过程.采用Langevin 动力学方法控制体积可变系统的温度与压力,更好地模拟了沸腾实际物理过程.得到了液相系统体积连续膨胀、分子间距逐渐增大,最终稳定在汽相的现象学规律.当过热温度较高时,亚稳态液相系统可能在局部形成不同大小的近球形区域：气核,这些气核是不稳定的,处于不断演化之中.通过分析分子所受引力与斥力的共同作用,得到了气核形成与消亡以及多个气核融合的机理.比较了模拟结果与经典沸腾理论的差异,提出了气核生长是比气泡生长更为微观过程的认识.通过研究不同过热 关键词： 过热水系统 分子动力学 气核 临界过热度     

Partially wetting thin liquid films: structure and dynamics studied with coherent x rays

We studied the surface structure of thin liquid films vapor deposited on solid substrates in a partial wetting situation by means of coherent x-ray scattering. No dynamics has been observed showing the absence of capillary waves on liquid films partially wetting a substrate. Instead an exponential form of the height-height correlation function has been found pointing toward a solidlike behavior of the thin liquid films at large length scales. The exact surface structure and degree of replication with the substrate depend on the deposition rate of the molecules.     

纳米尺度下气泡核化生长的分子动力学研究

采用分子动力学方法模拟纳米尺度下液体在固体壁面上发生核化沸腾的过程,主要研究壁面浸润性对气泡初始核化过程和气泡生长速率的影响以及固-液界面效应在液体核化沸腾的能量传递过程中所起到的作用.研究结果发现：壁面浸润性越强,气泡在固壁处越容易核化.该结果与经典核化理论中“疏水壁面易于产生气泡”的现象产生了明显的区别.其根本原因是在纳米尺度下,固-液界面热阻效应不能被忽略.一方面,在相同的壁温下,通过增强固-液相互作用,可以显著降低界面热阻,使得热量传递效率提高,导致靠近壁面处的流体温度升高,气泡核化等待时间缩短,有利于液体沸腾核化.另一方面,气泡的生长速率随着壁面浸润性的增强而明显升高.当气泡体积生长到一定程度时,会在壁面处形成气膜,从而导致壁面传热性能恶化.因此,通过壁面的热流密度呈现出先增大后减小的规律.     

Density functional theory of vapor to liquid heterogeneous nucleation: Lennard–Jones fluid on solid substrate

Density functional theory has been applied to investigate the vapor to liquid heterogeneous nucleation on a flat solid surface, by invoking a model free energy density functional along with an exponential density model. The effects of supersaturation of the vapor and the strength of the solid-fluid interaction on the nucleation barrier have been investigated for Lennard–Jones fluid with 12–6 fluid–fluid and 9–3 solid–fluid interaction model. The spinodal decomposition of vapor has been observed at higher supersaturation or at higher strength of the solid–fluid interaction. The shape, density profile and the free energy of formation of droplets of any arbitrary size have been obtained in this work.     

线性微波化学气相沉积制备SiNx薄膜的微结构及光学性能研究

利用自主研发的线性微波化学气相沉积系统在不同微波功率、微波占空比、基片温度、特气比例条件下制备了SiN_x薄膜. 通过扫描电子显微镜、椭圆偏振仪等表征测量技术, 研究了不同工艺参数对SiN_x薄膜表面形貌、元素配比、折射率、沉积速度的影响, 并探讨了薄膜元素配比、折射率、沉积速度间的关系. 结果表明: 利用线性微波沉积技术, 不同工艺参数下制备的SiN_x薄膜组成元素分布均匀, 同时具有平整的表面状态; 特气比例和微波占空比是影响薄膜折射率的最主要因素, 薄膜折射率在1.92–2.33之间连续可调; 微波功率、微波占空比、沉积温度、特气比例都对SiN_x 薄膜沉积速度影响较大, 制备的SiN_x薄膜最大沉积速度为135 nm·min^-1.     

Adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co （200）： A first-principles density-functional study

First-principles calculations based on density functional theory are used to investigate the adsorptions and diffusions of carbon atoms on the surface and in the subsurface of Co(200). The preferred site for the carbon atom on the surface is the hollow site, and the preferred site in the subsurface is the octahedral site. There is charge transfer from the surface to the adsorbed carbon atom, and for the most favorable adsorbed structure the charge transfer is largest. Moreover, the energy barriers for the diffusions of carbon atoms on the surface and from the surface into the subsurface and then back to the surface are calculated in detail. The results indicate that the energy barrier for the diffusion of carbon atoms on the surface is comparable to that from the subsurface to the surface. The results imply that both the direct surface nucleation and the surface segregation from Co bulk can be observed in the chemical vapor deposition growth of graphene on Co(200)substrate, which can gain a new insight into the growth mechanism of graphene.     

Surface phase transitions of multiple-site associating fluids

Surface phase transitions of Lennard–Jones (LJ) based two- and four-site associating fluids have been studied for various associating strengths using grand-canonical transition matrix Monte Carlo simulations. Our results suggest that, in the case of a smooth surface, represented by a LJ 9-3-type potential, multiple-site associating fluids display a prewetting transition within a certain temperature range. However, the range of the prewetting transition decreases with increasing associating strength and increasing number of sites on the fluid molecules. With the addition of associating sites on the surface, a quasi-2D vapor–liquid transition may appear, which is observed at a higher surface site density for weaker associating fluids. The prewetting transition at lower associating strength is found to shift towards the quasi-2D vapor–liquid transition with increasing surface site density. However, for highly associating fluids, the prewetting transition is still intact, but shifts slightly towards the lower temperature range. Adsorption isotherms, chemical potentials and density profiles are used to characterize surface phase transitions.     

多孔表面开槽影响池沸腾传热的实验研究

本文报道了开槽密度对R11在烧结多孔表面池沸腾换热性能影响的实验研究。观察发现,多孔表面开槽,让蒸汽从槽道逸出、液体从多孔区吸入到受热面,将增强池沸腾换热。沸腾特征可分为液体灌注、槽道起泡、底部蒸干三个区。对特定的多孔层,合理开槽可获得较好的换热效果。带槽道的多孔表面实验件与均匀多孔表面相比,在相同壁面过热度条件下,热流密度提高2～10倍,临界热流密度提高2～4倍。     

Investigation of the adsorption mechanism of water nanocluster on the substrate: The size and interaction strength effect

Molecular dynamics simulation is utilized to investigate the effects of both the size of a water nanocluster and the interaction strength between the water nanocluster and a solid surface on the dynamic behavior of the water nanocluster when it is adsorbed on a solid surface. The simulation results demonstrate that both the size and the interaction strength influence the adsorption behavior of the water nanocluster on the substrate. When the interaction strength between water molecules and the substrate is strong, the morphology of the water nanocluster adsorbed on the substrate will tend to be flatter in shape. However, when the interaction strength is weak, the morphology of the water nanocluster is a semi-spherical shape. The size of the water nanocluster causes the water molecules in the first layer to lay flatter on the substrate at stronger interaction strengths. As the interaction strengths exceed 1.5 kcal mol⁻¹, the value of orientation factor will reverse its trend for water nanoclusters with different sizes, with the smaller water nanocluster having the smallest orientation factor.     

模拟盒参数对汽液体系模拟过程的影响

为探讨模拟盒参数对分子动力学模拟影响这个长期被忽略的问题,采用Verlet-List搜寻法和Leapfrog差分算法,对分子数目为1000的汽液共存体系进行分子动力学模拟,得到了系统温度为100K时,汽液两相密度、表面张力随系统切片数、汽相空间尺寸、液膜厚度以及步长等模拟盒参数的变化情况.研究结果表明,系统切片数不会影响表面张力及两相密度;体系z轴无量纲长度为60时,模拟值与实验值吻合较好;液膜无量纲厚度达到13以后,液相密度将趋于稳定,两侧界面分子不会相互影响;分子动力学步长不影响平衡后的系统密度,但对表面张力的计算影响较明显.     

Aligned synthesis of multi-walled carbon nanotubes with high purity by aerosol assisted chemical vapor deposition: Effect of water vapor

Aligned multi-walled carbon nanotubes (MWCNTs) with high purity and bulk yield were achieved on a silicon substrate by an aerosol-assisted chemical vapor deposition. The introduction of specific amounts of water vapor played a key role in in situ controlling the purity and surface defects of the nanotubes. The morphology, surface quality and structure of MWCNTs were characterized by secondary and backscattered electron imaging in a field emission scanning electron microscope (FESEM) and transmission electron microscope (TEM). Crystallinity and defects of the MWCNTs’ were investigated by high-resolution transmission electron microscopy (HRTEM) and Raman spectroscopy. In this work, water vapor was found to provide a weak oxidative environment, which enhanced and purified the MWCNTs’ growth. However, excessive water vapor would inhibit the MWCNTs growth with a poor surface quality. In addition, it has been found that the surface morphology of the CNTs can be modified intentionally through producing some surface defects by tuning the amount of the water vapor, which may offer more nucleation sites on the chemically inert CNT surface for various applications such as catalyst support.     

Raman scattering by optically absorbing molecules adsorbed on “smooth” Ag and Au surfaces: Crystal violet

We report data on the resonant Raman scattering (RS) by crystal violet (CV) adsorbed on Ag and Au surfaces. The data show that the RS and luminescence by CV on a smooth Au surface is greater by an order of magnitude than that on a smooth Ag surface. These results, which are contrary to what one expects from mechanisms that depend on the complex dielectric constant of the metal substrate, are attributed to contributions that depend on the chemical bonding of the CV molecules with the metal substrate.     

混合悬浮液中纳米颗粒对核化形态的影响

均相沸腾活化核心的形成靠液体分子(或密度)脉动形成,低过热温度下临界活化核心比纳米颗粒本身粒径要大很多,颗粒添加的影响相对很小,依旧保持为均相沸腾。随着液体过热温度的增加至临界活化核心与颗粒尺寸可比时,颗粒才有可能成为新的活化核心,液体内部的均相沸腾也转变为非均相沸腾,但在考虑颗粒吸附的情况下,颗粒的吸附会使表面部分核化中心失去活性,弱化了原有非均相核化。     

低温制备微晶硅薄膜生长机制的研究

采用热丝化学气相沉积技术制备了一系列处于不同生长阶段的薄膜样品，用原子力显微镜系 统地研究生长在单晶硅衬底和玻璃衬底上薄膜表面形貌的演化.按照分形理论分析得到：在 玻璃衬底上的硅薄膜以零扩散随机生长模式生长；而在单晶硅衬底上，薄膜早期以有限扩散 生长模式生长，当膜厚超过某一临界厚度时转变为零扩散随机生长模式.岛面密度与膜厚的 依赖关系表明，在临界厚度时硅衬底和玻璃衬底上的岛面密度均出现了极大值.Raman谱的测 量证实，玻璃衬底上薄膜临界厚度与非晶/微晶相变之间存在密切的关系.不同的衬底材料直 接影响反应 关键词： 生长机制 微晶硅薄膜 表面形貌 热丝化学气相沉积