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.     

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。     

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.     

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。     

分形维数与城市规模分布评析

本在分形概念的基础上，指出城市规模分布是基于统计意义上的一种分形分布，并计算了安徽省1978～1998年城市规模分布的分维值，评析了安徽省城市规模分布变化的特征。     

离子束引起的在Al／Cr双层薄膜界面处的原子混合

用600keV的Kr~ 离子轰击Al/Cr双层薄膜样品进行界面原子反应及相互混合的研究。实验样品是在单晶硅上蒸镀约500nm厚的铝膜,相继再蒸上所需厚度的铬膜而制成的。轰击剂量为2.0×10~(15)-2.5×10~(16)Kr~ /cm~2。用2.0MeVa粒子对轰击前后的样品进行了卢瑟福背散射(RBS)分析,发现界面处有明显的原子混合存在;当轰击剂量≥1.0×10~(16)Kr~ /cm~2时,RBS谱出现有明显的坪台,经拟合计算和x射线衍射(XRD)测量证实确有化合物Al_(13)Cr_2存在;还分别得到了原子混合量及混合效率与轰击剂量的关系;最后对界面处的原子混合机制进行了讨论。     

从数学解题看数学美

本论述了“教学好玩”(陈省身语)的五个方面；教学语言精确；教学发现(类比发现；归纳发现和直党发现)；教学解题思路；教学思想方法和数学应用都体现了教学关。