Positron annihilation in ionic crystals

Positron lifetime measurements were made on Ca²⁺ doped NaCl, Ba²⁺ doped NaCl and X-ray- and additively-coloured KCl crystals. In the NaCl(Ca) system a correlation which could be approximated by a power equation was found between the dopant concentration and the positron annihilation parameters. In the NaCl(Ba) system the decay parameters do not change significantly as expected and no significant difference in the decay parameters of the coloured and uncoloured crystals could be found. Paper C 4 presented at 3rd Internat'l Conf. Positron Annihilation, Otaniemi, Finland (August 1973).     

Semi-quantitative theory of the structures of simple ionic crystals

A simple theory is developed which shows that the regions of stability of the CsCl, NaCl and ZnS structures can be demarcated in a two-dimensional plot of the radius ratio versus the strength of the van der Waals interaction. There is good agreement with experiment. The effect of pressure on these structures is explained qualitatively. The increased occurrence of the ZnS structure and the decreased stability of the CsCl structure in the A²⁺ B²⁻ crystals compared to the A⁺B⁻ crystals is also explained. Finally it is shown that the radius ratio and the polarizabilities of the ions are the important factors that determine the structures of AB₂ crystals.     

A variational approach to stochastic nonlinear problems

A variational principle is formulated which enables the mean value and higher moments of the solution of a stochastic nonlinear differential equation to be expressed as stationary values of certain quantities. Approximations are generated by using suitable trial functions in this variational principle and some of these are investigated numerically for the case of a Bernoulli oscillator driven by white noise. Comparison with exact data available for this system shows that the variational approach to such problems can be quite effective.     

A variational approach to dynamics of simple ionic crystals at high temperatures

The variational theory of anharmonic lattice dynamics is applied to the sodium chloride structure. The Coulomb and the inverse-power repulsive pair potential between ions are used. The mean-square displacements (MSDs) at zero pressure for individual ions, i.e., cation and anion, are calculated as a function of temperature without use of any fit parameters. It is shown that the ratio of the MSDs for anion and cation depends strongly on the ionic-radius ratio. The average MSDs are in reasonably good agreement with the experimental data obtained by a Bragg diffraction technique. A discussion is given of the relation between the divergent behavior of the MSDs which we find at some critical temperature and the observed melting point.A Humboldt fellow on leave of absence from Department of Engineering Science, Hokkaido University, Sapporo 060, Japan     

Electrical properties of molybdenite single crystals

Molybdenite crystals used in the present work were grown by direct vapour transport or sublimation method. The electrical resistivities and I-V characteristics were measured at different temperatures in the symmetry plane. The room temperature resistance of a specimen annealed for different periods has also been measured. These results are described and discussed.     

Temperature-dependent optical properties of GaSe layered single crystals

Optical properties of GaSe single crystals have been investigated using temperature-dependent transmission and room temperature reflection measurements in the wavelength range of 380–1100 nm. The analysis of the absorption data at room temperature showed the existence of indirect transitions in the crystal with energy band gap of 1.98 eV. Temperature dependence of the transmission measurements revealed the shift of the absorption edge toward lower energy as temperature is increased from 10 to 280 K. The rate of change of the indirect band gap was found as γ = ?6.6 × 10^?4 eV/K from the analysis of experimental data under the light of theoretical relation giving the band gap energy as a function of temperature. The absolute zero value of the band gap energy and Debye temperature were calculated from the same analysis. The Wemple–DiDomenico single-effective-oscillator model applied to refractive index dispersion data was used to determine the oscillator energy, dispersion energy, oscillator strength and zero-frequency refractive index values.     

A variational approach to superfluidity

A variational approach to problems in quantum statistical mechanics is described and it is shown how to determine the best quasi-free approximation to the equilibrium state. The relation between this approximation and the Bogoliubov approximation in superfluidity is discussed.     

Some studies on the relative stabilities of the NaCl,CsCl and cubic ZnS structures in ionic crystals

The problem of the relative stability of ionic structures is still unsolved current semi-empirical theories wrongly predict the caesium halides to have the NaCl structure. We point out here that these theories also predict some of the other alkali halides to occur in cubic ZnS structure. To understand these discrepancies, we study the effect of various interactions (such as second neighbour repulsion, van der Waals interaction and differences in ionic compressibilities) on the relative stability of simple structures. The results throw into question the radius ratio approach. It is suggested that one could allow for the presence of three-body interactions by relaxing the requirement that the repulsion interaction should be strictly proportional to the number of neighbours. Such an approach might explain the relative stability of simple ionic structures.     

一维磁化等离子体光子晶体非互易特性研究

在理想条件下,为了研究等离子体回旋频率、等离子体频率、等离子体层厚度、周期常数和入射角在TM模式下对一维磁化等离子体光子晶体的非互易特性的影响,用利用传输矩阵法计算得到的TM波正向和反向传播的透射率来研究其非互易特性。研究结果表明,增加等离子体回旋频率和入射角度能够改善非互易特性;而一味地增加等离子体频率和等离子体层厚度将会使得非互易传播特性变得恶化;增加周期常数不能明显地改善非互易传播特性,但是通过改变外加磁场的施加方式能够改善其非互易特性。     

不同积分变分原理的统一

依据定量因果原理的数学表示，统一地导出了Lagrange量中含坐标关于时间一阶、二阶导数 的积分型的Hamilton原理、Voss原理、Hlder原理和Maupertuis-Lagrange原理等，给出了 这些原理的本质联系和统一描述.得出f₀=0并不是通常的保持Euler-Lagrange方 程不 变的结果，而是满足定量因果原理的结果.还得出Lagrange量的所有的积分型变分原理等价 地对应于两类满足定量因果原理的不变形式.同时发现所有积分型变分原理的运动方程都是E uler-Lagrange 方程，但不同条件的变分原理所对应的不同群Ｇ作用下的守恒量是不同 的.从而可对过去众多零散的积分型变分原理有一个系统和深入的理解，并使这些变分原理 自然地成为定量因果原理的推论. 关键词： 变分原理 因果原理 运动方程 对称性     

光子晶体介质性质及手性特征的一种判别方法

通过研究各向同性以及各向异性介质中电磁场的波矢量与波印廷矢量之间的角度关系,给出了利用电磁场的单位波矢量与单位群速度的点积值来判断光子晶体介质性质及其手性特征的一种方法.并指出,可以利用光子晶体手性特征临界点的特性来解决多光束的合束问题.最后,利用解析计算讨论了上述结论.上述研究结果为进一步丰富“电动力学”等相关课程的教学内容打下了基础.     

Diffusion in a symmetric bistable potential: A variational approach

An approximation procedure for the solution of stochastic nonlinear equations, which was derived from a variational principle in a previous paper, is applied to the problem of a particle that diffuses in a symmetric bistable potential starting from the point of unstable equilibrium. The second moment and variance for the particle's position are calculated as functions of the timet. Good agreement is found with results recently obtained by Baibuzet al. from an approximate evaluation of a path integral expression for the probability density.     

Effect of monocationic ionic liquids as electrolyte additives on the electrochemical and thermal properties of Li-ion batteries

The conventional electrolyte system has been compared with the ionic liquid (IL) additive containing electrolyte system at room temperature as well as elevated temperature. In this work, two types of monocationic ILs such as 1-butyl-3-methylpyrrolidinium hexafluorophosphate (Pyr IL) and 1-ethyl-3-methylimidazolium hexafluorophosphate (IMI IL) are added as an additive at two different weight ratios in 1.15 M LiPF₆ (EC/EMC = 3/7 v/v) electrolyte solution, the structural, electrochemical and thermal characteristics of LiNi_0.80Co_0.15Al_0.05O₂ (NCA)/carbon full-cell in different electrolyte formulations have been reconnoitered. X-ray diffraction (XRD) studies have proved that IL as an electrolyte additive does not alter the structural stability of cathode materials after cycling. Under room temperature, Pyr IL additives at 1 wt% and 3 wt% deliver better cycleability than others, with the retention ratios of 93.62% and 92.8%, respectively. At elevated temperature, only 1 wt% Pyr IL additive is giving stable capacity retention ratio of 80.74%. Ionic conductivity and self-extinguishing time (SET) values are increasing with respect to the amount of additive added to the electrolyte. Thermal studies reveal that 3 wt% Pyr IL is favorable regarding the safety of the battery as it shows shifting of peak to higher temperature of 272.10 °C. Among the IL additives evaluated in this study, addition of 1 wt% Pyr IL is the most desirable additive for achieving the best cycling performance as well as thermal behavior of Li-ion batteries.     

Optical and defect properties of S-doped and Al-doped GaSe crystals

S-doped and Al-doped GaSe crystals are promising materials for their applications in nonlinear frequency conversion devices. The optical and defect properties of pure, S-doped, and Al-doped GaSe crystals were studied by using photoluminescence(PL) and Fourier transform infrared spectroscopy(FT-IR). The micro-topography of(0001) face of these samples was observed by using scanning electron microscope(SEM) to investigate the influence of the doped defects on the intralayer and interlayer chemical bondings. The doped S or Al atoms form the S_(Se)~0 or Al_(Ga)~(+1) substitutional defects in the layer GaSe structure, and the positive center of Al_(Ga)~(+1) could induce defect complexes. The incorporations of S and Al atoms can change the optical and mechanical properties of the GaSe crystal by influencing the chemical bonding of the layer structure. The study results may provide guidance for the crystal growth and further applications of S-doped and Al-doped GaSe crystals.     

光子晶体理论研究的新方法——混合变分法

利用混合变分法研究了二维光子晶体的能带结构,得到了通带、禁带和群速度,并详细分析光子晶体中的电磁场分布和能流密度分布.该方法方便实用,理论上能够应用于任意维度任意周期结构的光子晶体的计算.     

Geometric formulations and variational integrators of discrete autonomous Birkhoff systems

The variational integrators of autonomous Birkhoff systems are obtained by the discrete variational principle. The geometric structure of the discrete autonomous Birkhoff system is formulated. The discretization of mathematical pendulum shows that the discrete variational method is as effective as symplectic scheme for the autonomous Birkhoff systems.     

Influence of ultrasound-assisted ionic liquid pretreatments on the functional properties of soy protein hydrolysates

In this work, the effect of dual-frequency ultrasound-assisted ionic liquids (ILs) pretreatment on the functional properties of soy protein isolate (SPI) hydrolysates was investigated. The degree of hydrolysis (DH) of SPI pretreated by ultrasound and [BMIM][PF₆] increased by 12.53% as compared to control (P < 0.05). More peptides with low molecular weight were obtained, providing support for the changes in DH. The trichloroacetic acid-nitrogen soluble index presented an increase, suggesting a better protein hydrolysate property. The increase in the calcium-binding activity showed the ultrasound-assisted ILs pretreatment could potentially improve bone health. The foaming capacity and stability of SPI hydrolysates pretreated by ultrasound-assisted [BMIM][PF₆] always increased remarkably as compared to ultrasound-assisted [BDMIM][Cl] pretreatment. However, the synergistic effect of ultrasound-assisted [BMIM][PF₆] on the emulsifying activity and antioxidant activities (DPPH and hydroxyl radical scavenging activity) was not as ideal as ultrasound-assisted [BDMIM][Cl] pretreatment, which may be affected by the structure of peptide. In conclusion, these results indicated the combination of dual-frequency ultrasound and ionic liquids would be a promising method to improve the functional properties of SPI hydrolysates and broaden the application scope of compound modification in proteolysis industry.     

Space-charge-limited currents and photoconductive properties of Tl2InGaSe4 layered crystals

The extrinsic electronic parameters of Tl₂InGaSe₄ layered crystals were investigated through measurement of the temperature-dependent dark conductivity, space-charge-limited currents and photoconductivity. Analysis of the dark conductivity reveals the existence of two extrinsic energy levels at 0.40 and 0.51 eV below the conduction band edge, which are dominant above and below 260 K, respectively. Current–voltage characteristics show that the one at 0.51 eV is a trapping energy level with a concentration of (4.8–7.7) × 10¹⁰ cm^?3. Photoconductivity measurements reveal the existence of another energy level located at 0.16 eV. In the studied temperature range, the photocurrent increases with increasing temperature. The dependence of the photoconductivity on the incident light intensity exhibits a linear recombination character near room temperature and a supralinear character as the temperature decreases. The change in recombination mechanism is attributed to an exchange in the behavior of sensitizing and recombination centres.