高压下液态Ag-20 at%Ge合金的凝固及密排六方亚稳相的形成

 利用高压淬火方法，在液态Ag-20at%Ge合金的凝固过程中，对比液态急冷低四个数量级的冷却速率得到了单相密排六方结构亚稳相，其点阵参数为a=0.289 8 nm，c=0.470 8 nm，c/a=1.625。     

高功率振荡器锁相的粒子模拟

用粒子(PIC,Particle-in-Cell)模拟方法研究了当前颇感兴趣的高功率振荡器的锁相问题。给出了模拟计算结果。讨论了锁相(Phase Locking)、Priming和InjectionSeeding等概念的区别。     

Gelation of poly(n-butylisocyanate) in benzene

Poly (n-butylisocyanate)-benzene solutions prepared by solubilization at 45°C, followed by aging at room temperature were found to be metastable for months, although, eventually, they separated into a birefringent polymer-rich phase and an isotropic solution. These metastable solutions, as well as isothermally phase-separated biphasic samples, flowed and exhibited dynamic moduli indicative of low polymer connectivity. By contrast samples prepared by a freeze-thaw cycle were uniformly and highly birefringent and showed network (gel) behavior at room temperature. The mechanism of gel formation is most likely the exclusion of the polymer from the benzene crystal during crystallization, forcing the polymer to align and exist at grain boundaries. Films formed from solutions have different moduli than those formed from gels, and are consistent with the proposed mechanism.     

Structural phase transition in substituted La2CuO4 and Pr2CuO4−y

The structural phase transition from orthorhombic (T) phase to tetragonal (T′) phase in substituted La_2−x R _x CuO₄ (R = Pr, Nd, Sm, Eu and Gd) and T′ to T-phase in Pr_2−x M _x CuO_4−y (M = Sr, Ca) has been studied by X-ray diffraction technique. The T-phase of La₂CuO₄ is transferred to T′ phase abruptly atx=0.8, 0.4, 0.4, 0.3 and 0.4 respectively for substitution of Pr, Nd, Sm, Eu and Gd for La in La₂CuO₄ without evidence of the T* phase. The T′ structure of Pr₂CuO₄ (x = 0.0) gets transformed to the T* structure at 30% Ca doping (x=0.6) and then to the T structure at 50% Ca doping (x=1.0), while for Sr-contentx=0.0, 0.4 and 1.0 it shows T′, T* and T structure respectively.     

Some results from 50 years' research on surface forces

A review is presented about research on surface forces and surface interactions conducted over the past half-century, with some emphasis on the pioneering contributions of the Department of Surface Phenomena at the Institute of Physical Chemistry of the USSR Academy of Sciences.     

Strong,large distance impurity dipole interaction in KNbO3 single crystals

It is found that the unrelaxed impurity dipoles can arrange themselves linearly in the structure joining each other end-to-end in pseudocubic [110] direction at the tetragonal to the orthorhombic phase transition. It is shown that this alignment precedes the domain formation at the phase transition, which implies quick movements of the dipoles in the structure, and a strong dipolar interaction. The experiments with the application of dc fields to the crystals showed that the dipolar interaction becomes stronger with the field. The dipoles can see each other across the existing domain walls implying the large distance nature of the interaction. The observation of impurity clusters arranged in pseudocubic [110] direction confirmed the large distance nature of the interaction. It is concluded that this strong, large distance interaction is very interesting in as much as such an interaction of dipoles forms the basis of ferroelectricity.     

2+1维SU(2)格点规范场胶球质量的七阶RPA近似

采用无规相近似(RPA)方法,用空心图作为试探波函数,利用Feymann?Hellman定理计算七阶2?+?1维SU(2?)格点规范场的胶球质量,在弱耦合区1/g2?=1.0?–?1.8胶球质量表现出良好的标度行为,基本趋于常数(m/e2?≈1.2?0±0?.0?1)?.     

两步相移实现投影栅相位测量轮廓术

提出一种新的投影栅相位测量方法--两步相移法。该方法只需两幅相移条纹图，因此计算量小，速度快。给出了实验及计算结果，并同四步相移法进行了比较，证明了该方法具有较高的精度。     

Quantitative theory of living free‐radical polymerization. III. Calculation of copolymerization products' spinodal

The problem of finding conditions of the loss of thermodynamic stability by the reaction system was solved on the basis of the developed theory of living free‐radical copolymerization. The spinodal's calculations were carried out for a significant number of systems differing in the values of kinetic, stoichiometric, and thermodynamic parameters. Analysis of the results of such calculations revealed some regularities in the spinodal curves' behavior and permitted us to classify their possible topological types. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 892–902, 2003     

A computational study into the reactivity of epichlorohydrin and epibromohydrin under basic conditions in the gas phase and solution

Ab initio molecular orbital calculations were carried out on epibromohydrin (EBH) and epichlorohydrin (ECH) in an attempt to elucidate their reactivity with respect to a hard nucleophile, hydroxide. These systems were modeled in both the gas phase and a polar solvent under basic conditions. In the gas phase, it was determined that a direct displacement mechanism (nucleophilic attack at the C1 position) was operative for EBH, while an indirect pathway (nucleophilic attack at the C3 position and subsequent intramolecular displacement) was followed for ECH. In an acetone solution, only the indirect displacement mechanism was found to occur. An electrostatic argument is advanced to account for this behavior in polar solution. Copyright © 2007 John Wiley & Sons, Ltd.