Quantum HeisenbergS=1/2 spin glass with ferromagnetic coupling and random Dzyaloshinskii-Moriya interactions

By means of the generalized static replica symmetric spin glass theory, a quantum HeisenbergS=1/2 spin glass model with the infinite-ranged random Dzyaloshinskii-Moriya (DM) interaction and ferromagnetic coupling is investigated. The dependence of entropy, specific heat, susceptibility and the corresponding order parameters on temperature is studied numerically for different ferromagnetic interactions and fixed anisotropy. Two spin glass phases has been found including transverse and mixed spin glass phases. It has been shown that the local susceptibility exhibits double-cusp features for different ferromagnetic coupling (J ₀). Phase transition poins are found in the specific heat-temperature plane at various ferromagnetic coupling values. Additionally, the dependence of the spontaneous moment on temperature is calculated.     

A compactness result for Kähler Ricci solitons

In this paper we prove a compactness result for compact Kähler Ricci gradient shrinking solitons. If (Mi,gi) is a sequence of Kähler Ricci solitons of real dimension n?4, whose curvatures have uniformly bounded Ln/2 norms, whose Ricci curvatures are uniformly bounded from below and μ(gi,1/2)?A (where μ is Perelman's functional), there is a subsequence (Mi,gi) converging to a compact orbifold (M_∞,g_∞) with finitely many isolated singularities, where g_∞ is a Kähler Ricci soliton metric in an orbifold sense (satisfies a soliton equation away from singular points and smoothly extends in some gauge to a metric satisfying Kähler Ricci soliton equation in a lifting around singular points).     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

Electroluminescence of a Multi-Layered Organic Light-Emitting Diode Utilizing Trans-4-[p-[N-methyl-N-(hydroxymethyl)amino]styryl]-N-Methylphridinium Tetraphenylborate as the Active Layer

Employing an organic dye salt of trans-4-[p-[N-methyl-N-(hydroxymethyl)amino]styryl]-N-methylphridinium tetra\-phenylborate (ASPT) as the active layer, 8-hydrocyquinoline aluminium (Alq₃) as the electron transporting layer and N,N’-diphenyl-N,N’-bis(3-methylphenyl)-[1,1’-biphenyl]-4,4’-diamine (TPD) as the hole transporting layer, respectively, we fabricate a multi-layered organic light-emitting diode and observe the colour tunable electroluminescence (EL). The dependence of the EL spectra on the applied voltage is investigated in detail, and the recombination mechanism is discussed by considering the variation of the hole-electron recombination region.     

On the deformation and fracture of porous materials

The constitutive behavior of porous materials (including the yield loci, the void growth rate, the macro stress-strain relation and the strain to localization instability) is examined based on the lower bound approach proposed by the present authors. These results are then compared with the experimental and the finite element results as well as those predicted by Gurson's equations. Emphasis is placed on approaching the real behavior from the upper and the lower bound analysis. Calculation is also made on the influence of void nucleation on the critical strain to instability and a modified strain-controlled nucleation criterion is proposed. Finally the instability and fracture of AISI4340 steel in plane strain tension is examined and comparison is made between theoretical and experimental results.     

低噪音摩阻复台材料影响因素的探讨

采用动态粘弹谱仪（ＤＤＶ）、电子扫描显微镜（ＳＥＭ）和摩擦试验机等对影响摩阻复合材料制动噪音的因素进行了探讨。结果表明，摩阻材料基体的合理改性以提高其损耗角正切ｔａｎδ对减少振动、降低噪音行之有效。同时对传统解决噪音的方法，如添加固体润滑剂、橡胶共混等进行了分析比较。     

A semiclassical reactive flux method for the calculation of condensed phase activated rate constants

A semi classical reactive flux algorithm for calculating thermally activated rate constants is presented which is based on a semi-classical transition state theory due to Chapman, Garrett and Miller [J. Chem. Phys. 63 (1975) 2710]. This reactive flux technique, when combined with the semiclassical TST, enables one to describe dynamical recrossings of the transition state on the same footing as tunneling effects. Most importantly, the method is readily applied to nonlinear multidimensional systems over a wide range of temperatures. It will be shown that the method works very well for a variety of existing models.     

三维Minkowski空间中的曲面及其可积性

利用可积系统的思想,借助三维Minkowski空间L3的矩阵模型,研究了L3中具有调和逆平均曲率的类空曲面和洛伦兹调和逆平均曲率类时曲面的可积性及其形变.     

K2O-ZnO-Al2O3-B2O3-SiO2系掺Cr3+透明莫来石微晶玻璃的研究

采用了X射线衍射、透射电镜和吸收光谱及荧光光谱技术研究了K2O－ZnO-Al2O3-B2O3－SiO2系掺Cr^3 玻璃的析晶性能和光谱。研究结果表明：在K2O－Al2O3-B2O3-SiO2系掺Cr^3 玻璃的基础上引入ZnO后，析晶性能明显改善；析晶温度降低，析出的纳米莫来石微晶均匀、规则；微晶玻璃的发光强度明显增强。     

采用热处理方法提高MEH-PPV单层聚合物有机发光二极管发光性能的研究

对以MEH－PPV为发光层的单层聚合物有机发光二极管（OLED）器件在最佳条件下进行真空热处理，并用金相显微镜观察施加电压后器件的阴极表面形貌。发现处理后的器件阴极表面的气泡及黑斑明显减少。器件的发光性能显著提高。与未经处理的器件相比，最大相对发光强度提高了一个数量级、启亮电压降低了2．0V，半寿命提高了12．7倍。初步分析表明热处理方法提高器件发光性能的主要原因在于有效地减少了器件在工作过程中由于焦耳热产生的某些气体，从而减少阴极表面气泡及黑斑的出现，另一方面，热处理方法也增强了有机发光层与阴极接触界面的结合力，提高电子注入水平。