A kinetic model for the premelting of a crystalline structure

An analytical kinetic approach to examine the premelting phenomenon is suggested by using a first passage time analysis. Premelting is considered to occur when the time of formation of a Frenkel type defect in the surface monolayer becomes sufficiently small. The mean time of defect formation on the surface lattice, i.e., the mean time necessary for a selected (surface-located) molecule to leave its lattice site and form a Frenkel defect, is calculated by using a first passage time analysis. The model is illustrated by numerical calculations for a crystalline structure composed of molecules interacting via the Lennard-Jones (LJ) potential. The lattice vectors in the plane parallel to the free surface of the crystal were assumed to be equal (to the lattice parameter) and the angle between them was varied. The model predictions of the Tammann temperature (of premelting) are very sensitive to the parameters of the LJ potential. In all the cases considered, the temperature dependence of the mean first passage time has two clearly distinct regimes: at low temperatures the dependence is sharp and at high temperatures it is weak.     

A study of the high-temperature transport anomaly in AgBr,by diffusion of sodium tracer

A detailed measurement of the temperature dependence of the tracer diffusivity of substitutional sodium ion in AgBr indicates the activation energy for the formation of a Frenkel pair to be temperature-dependent. The approach used earlier by Müller and by Aboagye and Friauf in interpreting the “extra” ionic conductivity at high temperatures as due to an anomalous increase in the defect concentrations thus appears to be essentially correct. However, the decreases in defect formation enthalpy at high temperatures, as deduced from these diffusion experiments, are somewhat smaller than those obtained earlier from conductivity data. Also, the activation enthalpy for the jumping of a sodium ion into a neighboring vacancy is found to be nearly twice that for motion of a free vacancy, the increased migration barrier presumably resulting from the absence of covalent interactions in the case of the sodium ion.     

Post-deposition atomic terraces growth of ZnO thin films deposited on epi-GaN templates

We demonstrate how growth processes affect on ZnO film properties, which are to be essential guides to prevent defect formation in order to synthesize reproducible high quality ZnO films. First, we reveal that deposition at a low temperature is indispensable to transfer underlying GaN atomic terraces to ZnO surface. As the film thickness is increased, however, the terraces disappear to develop island morphology. It is found that the thick film surface is smoothed to the extent that atomic terraces can be seen after an appropriate thermal treatment. Adverse effects associated with high annealing temperatures are then demonstrated as evidenced by cracks formation, increased yellow cathode-luminescence and intermixing at the interface.     

分散介质和温度对纳米二氧化硅胶体剪切增稠行为的影响

对分散介质和温度对纳米二氧化硅胶体剪切增稠行为的影响进行了系统研究. 用四种液体分散介质(乙二醇, 聚乙二醇400, 丙二醇, 聚丙二醇400)制备的纳米二氧化硅胶体表现出不同的连续剪切增稠或者跳变剪切增稠行为. 温度上升降低了分散介质的黏度, 进而降低了胶体的表观黏度. 剪切增稠的临界黏度与温度的关系符合“Arrhenius”公式的描述. 胶体黏度与分散介质黏度的比值用来归一化不同温度下的稳态剪切流变曲线. 在低剪切速率的剪切变稀阶段, 剪切变稀现象与分散介质黏度没有明显相关性, 而与分散介质的化学性质密切相关. 在高剪切速率的剪切增稠阶段, 分散介质黏度越高, 胶体剪切增稠现象越强烈.     

The crossover from classical to quantum regime in the problem of the decay of the metastable state

The probability of the decay of the metastable state has been found as a function of viscosity and temperature. At low temperatures, a classical overbarrier transition changes to the quantum tunneling. At low viscosity in classical and transitive semiquantum region of temperatures a depopulation of the distribution function is significant. The distribution function is shown to satisfy the integral kinetic equation, the kernel of which equals the transition probability. The probability of transitions, induced by the red noise, with the frequency comparable to the transition frequency, is found.     

金属玻璃Ni30Zr70的动态粘度和稳态粘度

本文测量了金属玻璃Ni₃₀Zr₇₀的动态粘度和稳态粘度,结果表明,由于结构弛豫的影响,动态粘度随升温速率的减小而线性增加,在玻璃转变温度T_g以下,动态粘度与温度的关系可以用Arrhenius方程进行描述,稳态粘度与温度的依赖关系满足Fulcher-Vogel方程。从4种不同升温速率的高温(结晶开始温度T_x)动态粘度值,给出金属玻璃Ni₃₀Zr₇₀的平衡粘度。在630—670K     

饱和液体氦-3的粘度性质

文中揭示了低温液态氦-3在其饱和蒸气压下粘度随温度状态参数变化的反常规律,首次提出了3He在0.003K至其临界温度3.3157K温区内完整的气液相平衡曲线粘度方程。该方程计算值与高精度实验数据偏差小于±0.7%,并且在极低温条件下光滑过渡为由量子理论预测的理论极限。这项工作是研究氦-3在整个温度和压力区间上粘度性质行为特性的起点,不仅是构建全区间粘度方程的重要边界,而且对于理解费米-狄拉克量子统计规律在低温下的作用规律具有指导意义。     

液态Sn-Cu钎料的黏滞性与润湿行为研究

金属熔体的黏度和表面张力都是与液态结构相关的敏感物理性质, 且存在一定的相互关系. 对于微电子封装材料而言, 黏度和表面张力均是影响其工艺性能的重要参量. 本文利用回转振动式高温熔体黏度仪测量了Sn-xCu (x = 0.7, 1.5, 2)钎料熔体在不同温度下的黏度值, 发现在一定温度范围内钎料熔体的黏度值存在突变, 可划分为低温区和高温区. 在各温区内, 黏温关系很好地符合Arrhenius方程, 在此基础上讨论了液态钎料的结构特征和演变规律. 同时, 利用黏度值计算了液态Sn-xCu钎料在相应温度下的表面张力, 并通过Sn-xCu钎料在Cu基板上的润湿铺展实验对计算结果进行验证. 结果显示, 润湿角和扩展率的测试结果与表面张力的计算结果具有很好的一致性, 表明通过熔体黏度值来计算锡基二元无铅钎料合金表面张力并评估其润湿性能的方法是可行的. 关键词： Sn-Cu钎料 黏度 表面张力 润湿性     

The u + d ↔ u + s reaction rate and bulk viscosity of strange matter

The influence of the strong interactions in strange matter on its nonleptonic reaction rate and bulk viscosity is studied. We find the rate is strongly suppressed by these interactions. The bulk viscosity is also influenced by them. At low temperatures, the viscosity is strongly suppressed; but at high temperatures, it is slightly enhanced. The astrophysical implications of these results are also discussed.     

Theu+d ↔u+s reaction rate and bulk viscosity of strange matter

The influence of the strong interactions in strange matter on its nonleptonic reaction rate and bulk viscosity is studied. We find the rate is strongly suppressed by these interactions. The bulk viscosity is also influenced by them. At low temperatures, the viscosity is strongly suppressed; but at high temperatures, it is slightly enhanced. The astrophysical implications of these results are also discussed.     

Radiation induced microstructural evolution and amorphization of intermetallic compounds

Abstract

A theoretical model is developed to study the influence of radiation-induced microstructural evolution on the amorphization kinetics of intermetallic compounds. The amorphization mechanism is assumed to be the buildup to a critical level of defect complexes. A complex consists of a coupled interstitial-vacancy pair. It is shown that the process of amorphization under particle bombardment is obstructed in alloy systems in which interstitials exhibit a tendency to cluster. In these systems, interstitial clustering delays the buildup of complexes. Under electron irradiation, the complex concentration attains a very low level after high doses, and the crystalline-to-amorphous transition is inhibited down to fairly low temperatures. During heavy ion bombardment, cascade damage produces an enhancement of complex formation and the transition takes place. It is shown that the kinetics of amorphization under ion bombardment depends on temperature at low temperatures, where amorphization is mostly due to complex accumulation. On the other hand, the present analyses indicate that direct in-cascade amorphization becomes more important as the bombardment temperature increases. Zr₃Al is used as a model system. The theoretical calculations yield good agreement with experimental results.     

In situ observation of thermal relaxation of interstitial-vacancy pair defects in a graphite gap

Direct observation of individual defects during formation and annihilation in the interlayer gap of double-wall carbon nanotubes (DWNT) is demonstrated by high-resolution transmission electron microscopy. The interlayer defects that bridge two adjacent graphen layers in DWNT are stable for a macroscopic time at the temperature below 450 K. These defects are assigned to a cluster of one or two interstitial-vacancy pairs (I-V pairs) and often disappear just after their formation at higher temperatures due to an instantaneous recombination of the interstitial atom with vacancy. Systematic observations performed at the elevated temperatures find a threshold for the defect annihilation at 450-500 K, which, indeed, corresponds to the known temperature for the Wigner energy release.     

Electronically induced changes in structural properties of solid Kr

Excitation of the electron subsystem is shown to affect the structural properties of solid Kr at low temperatures. An electronically induced stable point defect formation has been observed. Experiments were performed under irradiation by electrons of subthreshold energy. Defects were detected by means of vacuum ultraviolet luminescence spectroscopy. The results obtained reveal an excited-state mechanism of defect formation when the defect is formed during the lifetime of the excited state. Self-trapping of excitons in the long-lived electronic state ³Σ⁺_u is shown to be a stimulating factor.     

The evolution of coordination structure in liquid GaSn alloy

The dynamic viscosity and the liquid structure of Ga₉₈Sn₂ alloy melt at different temperatures were measured by a torsional oscillation viscometer and an x-ray diffraction. The viscosity of the liquid Ga₉₈Sn₂ alloy increases with decreasing temperature and an obvious turning point is observed on the Arrhenius curve. The breakpoint in Arrhenius plot emerges when the structure of Ga₉₈Sn₂ alloy melt is transformed from the high coordinated polyhedron clusters to the low coordinated polyhedron clusters. It is found that the change of the viscosity is a characteristic of microstructure transformation in the alloy melt.     

高温高压流体在线毛细管黏度测量

提出了一种适用于高温高压条件下的在线毛细管黏度测量方法,设计并搭建了相应的实验系统。通过与高温高压循环系统连接,可实现压力（约30MPa）、温度（约773K）范围内的流体黏度在线测量。利用该实验系统,在线测量了压力分别为12、23、25、28MPa下,温度303．46－383．28K范围内纯水的动力黏度。较之NIST文...     

States of hydrogen in crystalline silicon

The thermal transformation of deuterium in p-type crystalline silicon is studied with a variety of experimental techniques. It is found that D-atoms initially trapped at acceptor sites can be transferred by low temperature annealing to a different state tentatively ascribed to interstitial D₂ molecules. Diffusion of D out of the passivated sample only occurs at temperatures significantly higher than this transformation temperature. This fact allows us to produce Si samples with extremely high deuterium concentrations (several at%) by a suitable passivation-annealing sequence. With increasing D-concentration, a number of characteristic Si-D defect complexes have been observed by vibrational spectroscopy.     

Frequency dependence of dark conductivity in glow-discharged a-Si:H

Frequency dependence of the dark conductivity at room temperature has been measured on glow-discharged amorphous hydrogenated silicon films deposited at various substrate temperatures. In high substrate temperature samples, a frequency-independent conductivity region appears at low frequencies. It is discussed that the observed results are possible to be understood in terms of the paramicrocrystalline formation in the films deposited at high substrate temperatures.     

Quantum-chemical modeling of energy parameters and vibrational spectra of chain and cyclic clusters of monohydric alcohols

The specific peculiarities of alcohols such as heightened viscosity, boiling temperature and surface tension can be explained by the capability of their molecules to form relatively stable associates named clusters due to hydrogen bonding. In present work the stability of different chain-like and cyclic clusters of methanol, ethanol, 1-propanol, 1-butanol, 1-pentanol and 1-hexanol was investigated by means of quantum-chemical simulation and particular by recently developed DFT exchange–correlation functional M06-2X. The relative stability of the cluster structure was evaluated by the total energy per molecule at low temperatures (where all alcohols exist in solid state) and by the changing of the free Gibbs energy upon cluster formation at the room temperature. For the verification of revealed results the conformity of calculated IR spectra of the most stable cluster structures with the experimental IR spectra at different temperatures was analyzed.     

The Effect of Point Defects on the Activation Processes in Semiinsulating GaAs Irradiated by Si28 Ions

The layered concentration, concentration profile, and mobility of electrons in the Si²⁸ ion-implanted layers (IIL) of semiinsulating GaAs are investigated. The specific resistance of the latter is also studied upon radiation annealing (RA) in the temperature range 590–800 °C using electron energies higher than the threshold energy of defect formation. The IIL are shown to form during RA at much lower temperatures. The layers exhibit high electrical activation of Si²⁸ ions, with the electron-concentration profile corresponding to the calculated one, and a low concentration of residual defects limiting the electron mobility. The radiation annealing increases the resistance of semiinsulating GaAs. The calculations show that these effects are due to the Frenkel pairs (FP) generated by radiation. A high degree of ionization of GaAs atoms significantly reduces energies of potential barriers of diffusion, FP recombination, and electrical impurity activation.