混合金属卤化物中的电荷转移

采用双带Ｐｅｉｅｒｌｓ－Ｈｕｂｂａｒｄ模型研究混合金属卤化物ＰｔＸｘＸ‘１－ｘ，发现电荷会穿过界面在两单体内自发转移，从而导致极化的生产。随着电子一电子（ｅ－ｅ）相互作用强度的增加，转移电荷的数量呈量子性台阶式变化。     

SRM点火瞬间流固耦合研究现状与发展探索

随着美国“大力神4”首发全尺寸静态试验发动机PQM-1的失败，固体发动机点火瞬间的流固耦合现象逐渐得到了人们的重视。本文将流固耦合研究现状分为点火燃气流动、药柱变形和实验研究三个方面，综述了国内外的发展现状与趋势。结合我国发展的实际情况，初步探讨了研究固体发动机点火瞬间流固耦合的新方法。     

Label-free and real-time detection of specific binding of IgG proteins by oblique-incidence reflectivity difference method

The entire interaction process between anti-mouse immunoglobulin-G (IgG) and mouse IgG with a concentration range from 1 to 0.25 mg/mL has been label-free detected by the oblique incidence reflectivity difference (OIRD) method.We achieved the two-dimensional scanning images of OIRD Re{△ p △s } intensities before and after interactions as well as the curves of reaction dynamic processes.The experimental results suggest that OIRD method not only can label-free distinguish the different concentrations of proteins and detect biological microarrays,but also can real-time monitor the kinetic processes of biomolecular interactions.     

Optimal procedure for fitting the magnetic susceptibility vs J couplings

To provide efficiency in calculating the energy-levels of paramagnetic spin clusters with high nuclear -ity, a fitting program of irreducible tensor operator is developed for the calculation of / couplings. An optimal data-access process is given, which greatly enhances the computational aspects of such modeling. Upon the program's application, the coupling constants of the moderate-sized clusters are fitted automatically by the least-squares calculations in PCs.     

基于冻土水分温度和外荷载相互作用的冻胀模式

基于季节冻土的水分场，温度场和外荷载的相互关系，提出了考虑水分迁移，热质扩散和外荷载相互作用的冻胀预报模式，可以预测预报冻土的冻胀量大小与发展过程，应用本模式计算的结果与实测值吻合很好，说明本方法是有效的。     

次近邻简立方格子键渗流模型的重整化群方法研究

采用实空间重整化群方法,对次近邻简立方格子键渗流模型进行了研究,得到了临界值Pc、模型在相变点的临界指数ν。最后说明了所得结果的合理性。     

湍流大小尺度涡量方程组及其封闭

利用流体大小尺度 (LSS)方程组推导出湍流大小尺度涡量 (LSSV)方程组 ,给出两个关于湍流大小尺度涡量的命题 ,从而得到湍流封闭大小尺度涡量 (CLSSV)方程组。同时 ,对近程相互作用命题进行了推广。     

非水溶剂中难溶盐溶度积的理论计算

该文根据以静电作用、取向作用、诱导作用和色散作用为基础的分子间相互作用力,对AgCl、AgBr、AgI、AgN_3、AgSCN及AgAc等6种难溶盐在MeOH、EtOH、MeCN、DMF、DMAC、DMSO和HCONH_2等7种非水溶剂中的离解平衡常数K_(SP)进行了理论计算,计算结果与文献值吻合较好。     

Effects of historical land cover changes on climate

In order to explore the influence of anthropogenic land use on the climate system during the last mil- lennium, a set of experiments is performed with an Earth system model of intermediate complexity—— the McGill Paleoclimate Model (MPM-2). The present paper mainly focuses on biogeophysical effects of historical land cover changes. A dynamic scenario of deforestation is described based on changes in cropland fraction (RF99). The model simulates a decrease in global mean annual temperature in the range of 0.09-0.16℃, especially 0.14-0.22℃ in Northern Hemisphere during the last 300 years. The responses of climate system to GHGs concentration changes are also calculated for comparisons. Now, afforestation is becoming an important choice for the enhancement of terrestrial carbon sequestration and adjustment of regional climate. The results indicate that biogeophysical effects of land cover changes cannot be neglected in the assessments of climate change.     

Dzyaloshinskii-Moriya相互作用对自旋S=1的Heisenberg模型热力学性质的影响

应用二自旋集团平均场近似的方法,研究了外磁场中简立方格子上具有Dzyaloshinskii-Moriya(DM)相互作用对自旋.S=1量子Heisenberg模型热力学性质的影响,得到了该系统的相图和磁化强度随温度变化的曲线.结果表明,所研究的系统存在三临界点.系统的这种临界行为可以解释为交换耦合作用与DM相互作用之间相互竞争的结果.