Yb：Ca5（PO4）3F激光晶体的生长缺陷

采用提拉法生长了质量优异的Yb：Ca5（PO4）2F（Yb：FAP）晶体。运用化学腐蚀，光学显微镜、扫描电子显微镜以及能量散射光谱仪观察了该晶体中的生长条纹和包裹物等宏观缺陷，以及晶体的位错腐蚀形貌、位错密度及其分布情况，同时观察了晶体中亚晶界的形态。由晶体中位错的径向变化以及生长条纹可知：晶体在生长过程中为微凸界面生长。高温下CaF2的挥发造成了在晶体生长后期熔体中组分偏离化学计量比，出现组分过冷，形成包裹物。且位错密度显著增加。Yb：FAP晶体的各向异性使得晶体在（10 10）面的位错蚀坑形状、大小以

Optimization of thermal environment during crystal growth of large-sized Nd : YAG by Temperature Gradient Technique

A finite-element model is employed to analysis the thermal environments in Temperature Gradient Technique (TGT) furnace during the growth of large-sized Nd:YAG crystal. The obtained results show that when the crucible is located at the lower position inside of the heater, a flatter solid-liquid interface is established, which makes it easier to obtain the core-free Nd:YAG crystal. Meanwhile, the lower crucible position can induce higher axial temperature gradient, which is beneficial to the release of latent heat. (c) 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

ScAlMgO_4晶体的生长缺陷

采用提拉法生长出φ30 mm×55 mm的ScAlMgO4晶体。在晶体生长过程中有轻微的挥发,粉末X射线衍射分析表明:挥发物质为MgO单相。运用扫描电镜、光学显微镜以及高分辨X射线衍射仪对晶体中的包裹物、开裂、生长条纹和小角晶界缺陷进行了研究。结果表明:温度梯度和热应力是形成晶体中缺陷的主要原因。通过合理设计温场,控制固-液界面的形状及冷却过程的降温速率,可以提高晶体的完整性。

铝酸钇晶体中的生长小面

采用提拉法生长了掺Ce、掺Yb和掺Mn的铝酸钇(YAlO3,YAP)晶体,晶体均完整透明,无肉眼可见的气泡、散射和包裹物等宏观缺陷。通过化学腐蚀和同步辐射白光形貌实验检测了YAP晶体中的生长小面缺陷。结果表明:晶体生长过程中,由于凸向熔体的固-液界面,造成了小面生长现象。沿[101]方向生长的YAP晶体中出现的小面为(102),(201),(121)和(121)奇异面。X射线摇摆曲线表征的结果表明:生长小面的存在严重破坏了晶体的微观结构完整性和均匀性,并导致了小角度晶界缺陷的产生。

Study on the perfection of in situ P-injection synthesis LEC-InP single crystals

Undoped, S-doped and Fe-doped InP crystals with diameter up to 4-inch have been pulled in drop 10 0 drop -direction under P-rich condition by a rapid P-injection in situ synthesis liquid encapsulated Czochralski (LEC) method. High speed photoluminescence mapping, etch-pit density (EPD) mapping and scanning electron microscopy have been used to characterize the samples of the single crystal ingots. Dislocations and electrical homogeneity of these samples are investigated and compared. By controlling the thermal field and the solid-liquid interface shape, 4-inch low-EPD InP single crystals have been successfully grown by the rapid P-injection synthesis LEC method. The EPD across the wafer of the ingots is less than 5 x 10(4) cm(-2). Cluster defects with a pore center are observed in the P-rich LEC grown InP ingots. These defects are distributed irregularly on a wafer and are surrounded by a high concentration of dislocations. The uniformity of the PL intensity across the wafer is influenced by these defects. (C) 2004 Elsevier B.V. All rights reserved.

Experimental and numerical investigations on dissolution and recrystallization processes of GaSb/InSb/GaSb under microgravity and terrestrial conditions

The effects of gravity and crystal orientation on the dissolution of GaSb into InSb melt and the recrystallization of InGaSb were investigated under microgravity condition using a Chinese recoverable satellite and under normal gravity condition on earth. To investigate the effect of gravity on the solid/liquid interface and compositional profiles. a numerical simulation was carried out. The InSb crystal melted at 525 degrees C and then a part of GaSb dissolved into the InSb melt during heating to 706 degrees C and this process led to the formation of InGaSb solution. InGaSb solidified during the cooling process. The experimental and calculation results clearly show that the shape of the solid/liquid interface and compositional profiles in the solution were significantly affected by gravity. Under microgravity, as the Ga compositional profiles were uniform in the radial direction. the interfaces were almost parallel. On the contrary, for normal gravity condition, as large amounts of Ga moved up in the upper region due to buoyancy, the dissolved zone broadened towards gravitational direction. Also. during the cooling process, needle crystals of InGaSb started appearing and the value of x of InxGa1-xSb crystals increased with the decrease of temperature. The GaSb with the (111)B plane dissolved into the InSb melt much more than that of the (111)A plane. (C) 2000 Elsevier Science B.V. All rights reserved.

固液黏着功的Berthelot平均规则的推广及应用

以固液黏着功的Berthelot几何平均规则及其推广为基础的Zisman方程、Fowkes方程和Owens-Wendt方程是固体表面张力测定的基础.对Berthelot几何平均规则进行了进一步的推广,并以此为基础,对Zisman方程中的参数给出了推广的表示式,并对Fowkes方程和Owens-Wendt方程进行了进一步的推广.

Thermal analysis of microstructural evolution of Al2O3 surface modified layers

Solidification behavior and microstructural evolution of surface modified layers in plasma cladding technique are studied via numerical simulations. Both the coupling effect of temperature and solid volume fraction are considered in the proposed thermal analytical model, by which the transient temperature distributions are calculated and the shape of melting pool is determined. Furthermore, we perform microscopic thermal analysis on the nucleation and growth behaviors of ceramic hardening phases and dendrites, as well as the kinetics of related two-phase flow systems. By comparing with experimental observations, the evolution mechanisms of the morphology of Al2O3 ceramic hardening layer are explained. Based on the above results, a relationship among the scanning velocity of plasma stream, dendritic growth rate and the advancing speed of solid/liquid interface is found, and an energy criterion is proposed for predicting the pushing/engulfing transition of ceramic particles by grain growth fronts. (C) 2009 Elsevier B.V. All rights reserved.

Self-assembled gold nanoparticles on functionalized gold (111) studied by scanning tunneling microscopy

Nanogold colloidal solutions are prepared by the reduction of HAuClO4 with sodium citrate and sodium borohydride. 4-Aminothiophenol (ATP) self-assembled monolayers (SAMs) are formed on gold(lll) surface, on which gold nanoparticles are immobilized and a sub-monolayer of the particles appears. This sub-monolayer of gold nanoparticles is characterized with scanning tunneling microscopy (STM), and a dual energy barrier tunneling model is proposed to explain the imageability of the gold nanoparticles by STM. This model can also be used to construct multiple energy barrier structure on solid/liquid interface and to evaluate the electron transport ability of some organic monolayers with the aid of electrochemical method.

Study on polymer micelles of hydrophobically modified ethyl hydroxyethyl cellulose using single-molecule force spectroscopy

Individual hydrophobically modified ethyl hydroxyethyl cellulose (HM-EHEC) molecules under different conditions were elongated using a new atomic force microscope (AFM) based technique-single-molecule force spectroscopy (SMFS). The critical concentration of HM-EHEC for micelle-like clusters at a solid/liquid interface was around 0.8 wt %, which is lower than that in solution. The different mechanical properties of HM-EHEC below and above the critical concentration were displayed on force-extension curves. Through a comparison with unmodified hydroxyethyl cellulose, substituent-induced effects on nanomechanical features of HM-EHEC were investigated. Because of hydrophobic interactions and cooperative binding with the polymer, surfactants such as sodium dodecyl sulfate (SDS) dramatically influence the elastic properties of HM-EHEC below the critical concentration, and further addition of SDS reduces the interactions between the hydrophobic groups and the surfactant.

Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First, we independently consider the applications of nTTM and MD for the description of silicon, and then construct the combined MD-nTTM model. Its development and thorough testing is followed by a comprehensive computational study of fast nonequilibrium processes induced in silicon by an ultrashort laser irradiation. The new model allowed to investigate the effect of laser-induced pressure and temperature of the lattice on the melting kinetics. Two competing melting mechanisms, heterogeneous and homogeneous, were identified in our big-scale simulations. Apart from the classical heterogeneous melting mechanism, the nucleation of the liquid phase homogeneously inside the material significantly contributes to the melting process. The simulations showed, that due to the open diamond structure of the crystal, the laser-generated internal compressive stresses reduce the crystal stability against the homogeneous melting. Consequently, the latter can take a massive character within several picoseconds upon the laser heating. Due to the large negative volume of melting of silicon, the material contracts upon the phase transition, relaxes the compressive stresses, and the subsequent melting proceeds heterogeneously until the excess of thermal energy is consumed. A series of simulations for a range of absorbed fluences allowed us to find the threshold fluence value at which homogeneous liquid nucleation starts contributing to the classical heterogeneous propagation of the solid-liquid interface. A series of simulations for a range of the material thicknesses showed that the sample width we chosen in our simulations (800 nm) corresponds to a thick sample. Additionally, in order to support the main conclusions, the results were verified for a different interatomic potential. Possible improvements of the model to account for nonthermal effects are discussed and certain restrictions on the suitable interatomic potentials are found. As a first step towards the inclusion of these effects into MD-nTTM, we performed nanometer-scale MD simulations with a new interatomic potential, designed to reproduce ab initio calculations at the laser-induced electronic temperature of 18946 K. The simulations demonstrated that, similarly to thermal melting, nonthermal phase transition occurs through nucleation. A series of simulations showed that higher (lower) initial pressure reinforces (hinders) the creation and the growth of nonthermal liquid nuclei. For the example of Si, the laser melting kinetics of semiconductors was found to be noticeably different from that of metals with a face-centered cubic crystal structure. The results of this study, therefore, have important implications for interpretation of experimental data on the kinetics of melting process of semiconductors.

Effect of Eu(2)O(3) doping on Ta(2)O(5) crystal growth by the laser-heated pedestal technique

High energy band gap hosts doped with lanthanide ions are suitable for optical devices applications To study the potential of Ta(2)O(5) as a host compound pure and Eu(2)O(3)-doped Ta(2)O(5) crystal fibers were grown by the laser-heated pedestal growth technique in diameters ranging from 250 to 2600 pm and in lengths of up to 50 mm The axial temperature gradient at the solid/liquid interface of pure Ta(2)O(5) fibers revealed a critical diameter of 2200 gm above which the fiber cracks X-ray diffraction measurements of the pure Ta(2)O(5) single crystals showed a monoclinic symmetry and a growth direction of [1 (1) over bar 0] An analysis of the pulling rate as a function of the fiber diameter for Eu(2)O(3)-doped Ta(2)O(5) fibers indicated a well defined region in which constitutional supercooling is absent Photoluminescence measurements of pure Ta(2)O(5) crystals using excitation above the band gap (3 8 eV) were dominated by a broad unstructured green band that peaked at 500 nm Three Eu(3+)-related optical centers were identified in the doped samples with nominal concentrations exceeding 1 mol% Two of these centers were consistent with the ion in the monoclinic phase with different oxygen coordinations The third one was visible in the presence of the triclinic phase (C) 2010 Elsevier B V All rights reserved

Many-body dissipative particle dynamics simulation of wetting phenomena

With the development of the simulation of particle dynamics, the traditional dissipative particle dynamics (DPD) method can not satisfy the needs of research in static or dynamic wetting phenomena. However, the Many-body DPD approach extends the ability of the traditional method to simulate the interface between solid and liquid or some other situation. In this paper, we propose a Many-body DPD program to simulate the solid-liquid interface and get satisfactory results.

Viscosity measuring cell using ultrasonic wave mode conversion

This work presents a cell to measure dynamic viscosity of liquids using ultrasonic wave mode conversion from longitudinal to shear wave. The strategy used to obtain the viscosity is based on the measurement of the complex reflection coefficient of shear waves at a solid-liquid interface. Viscosity measurements of automotive oils (SAE90 and SAE140) were obtained in the frequency range from 1 to 10 MHz. These results are compared with the Maxwell model with two relaxation times, showing the dependency of viscosity with frequency. Several parameters affecting viscosity measurements, including the solid material properties, liquid viscosity, and operating frequency are discussed.

Viscosity measurement of Newtonian liquids using the complex reflection coefficient

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)