掺锌LiNbO3晶体的生长及其光学性能

在LiNbO₃中掺进3mol%、5mol%、7mol%ZnO生长Zn:LiNbO₃晶体.测试Zn:LiNbO₃晶体的吸收光谱,研究Zn:LiNbO₃晶体吸收边紫移的机制.测试Zn:LiNbO₃晶体的红外光谱,研究Zn(7mol%):LiNbO₃晶体OH 吸收峰由3484cm^-1移到3530cm^-1的机制.测试Zn:LiNbO₃晶体倍频转换效率和相位匹配温度,研究Zn:LiNbO₃晶体倍频转换效率增强的机制.     

A NEW NUMERICAL METHOD FOR TWO-PHASE IMMISCIBLE INCOMPRESSIBLE PROBLEM

Two-phase, immiscible, incompressible flow in porous media is governed by a system of nonlinear partial differential equations. In most practical applications convection physically dominates diffusion, and the object of this paper is to develop a finite difference method combined with the method of characteristics and the lumped mass method to treat the parabolic equation of the differential system. This method is shown satisfy the maximum principle and its error analysis is presented.     

HIGH ACCURACY FINITE VOLUME ELEMENT METHOD FOR TWO-POINT BOUNDARY VALUE PROBLEM OF SECOND ORDER ORDINARY DIFFERENTIAL EQUATIONS

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金属Zn液态结构变化的研究

利用ＴＢ模型给出的原子间相互作用势详细计算了不同温度下Ｚｎ的双体分布函数ｇ（ｒ），结果发现随着温度的不断降低，液态金属Ｚｎ的ｇ（ｒ）第一峰变得高而尖，第二峰由弱变强，说明了液态金属Ｚｎ的有序度随温度降低而不断增强；利用键对分析技术统计了液态金属Ｚｎ在不同温度下的键取向序参数、键对数。键取向序参数及键对数随温度的变化，进一步证明了低温液态的有序度高于高温液态，从而充分说明液态金属在不同温度下有不同的结构形式，而不像人们想象得那样杂乱无章。     

OPTIMAL ERROR ESTIMATE IN L~∞(J;L~2(Ω)) NORM OF FEM FOR A MODEL FOR COMPRESSIBLE MISCIBLE DISPLACEMENT IN POROUS MEDIA

We'll study the FEM for a model for compressible miscible displacement in porous media which includes molecular diffusion and mechanical dispersion in one-dimensional space.A class of vertices-edges-elements interpolation operator ink is introduced.With the help of ink(not elliptic projection),the optimal error estimate in L∞(J;L2(Ω)) norm of FEM is proved.     

A quantum scattering study of collinear state-to-state reaction probabilities for the F+H_2(ν)→-HF(v'''')+H system

A new quantum scattering approach (linear combination of arrangement channels-scattering wavefunction,LCAC-SW) proposed by Deng and his co-workers is used to calculate collinear state-to-state reaction probabilities for the F + H-2(v)→HF(v')+H system.Several interesting problems such as threshold energy,compound states and enhance by translational energy of the reactants and the vibration excitation of products are discussed and they are compared with other theoretical investigations reported in the literature.It is shown that the LCAC-SW approach is the successful one of quantum scattering methods.     

吡啶-BH~3相互作用复合物的理论研究

对吡啶-BH~3复合物分别用MP2/6-31+G^*和B3LYP/6-31+G^*进行理论计算以预测该复合物的构型及解离能，得到四种构型，在MP2优化构型基础上作CCSD/6-31+G^*单点能量计算以验证MP2与B3LYP结果的可靠性，然后用B3LYP作振动频率分析，计算了各构型的垂直电离势，最后用更大基组作单点能量计算和自然键轨道(NBO)分析。结果表明，N-B直接相连的构型最稳定，其解离能为141.50kJ/mol,MP2和B3LYP对N-H接近的构型结果相关较大，另外两种构型稳定性介于二者之间，解离能分别为15.18kJ/mol,14.06kJ/mol(MP2/6-31+G^*)。     

退火温度对KDP晶体光学均匀性的影响研究

 研究了磷酸二氢钾（KDP）晶体热退火前后光学均匀性的变化，发现适当温度下退火可以降低KDP晶体的内应力，提高晶体的消光比，从而提高晶体的光学均匀性。实验证明，50℃下退火即可消除部分内应力，110℃下退火可以消除生长鬼影和鬼线。但是,退火温度太高（如170℃）,也可能使晶体的均匀性降低。     

In Situ Fabrication of ZnS Semiconductor Nanoparticles in Layered Organic-inorganic Solid Template

Ordered ZnS semiconductor nanoparticles were in situ synthesized in metal halide perovskite organic/inorganic layered hybrids (CnH2n 1NH3)2ZnCl4 (n=10 and 12) by reaction of their spin-casting films with H2S gas. Transmission electron microscopy, UV-vis spectroscopy and small-angle X-ray diffraction were used to characterize the morphology and the structure of formed nanoparticles. Obtained results indicate an effective way to incorporate functional inorganic nanoparticles into structured organic matrices.     

Preparation of anti-human cardiac troponin I immunomagnetic nanoparticles and biological activity assays

Maghemite nanoparticles (MNPs) were synthesized by chemical coprecipitation and coated with meso-2,3-dimercaptosuccinic acid (HOOC-CH(SH)-CH(SH)-COOH or DMSA). The morphology and properties of the nanoparticles were characterized by TEM, XRD, Zeta Potential Analyzer and VSM. Subsequentially, the anti-human cardiac troponin I (cTnI) immunomagnetic nanoparticles (IMNPs) were prepared by grafting anti-human cTnI antibodies on the surface of DMSA-coated MNPs using the linker of EDC (1-ethyl-3-[3-dimethylaminopropyl] carbodiimide hydrochloride). The conjugation amount of the antibodies and the activity of IMNPs was evaluated by enzyme linked immunosorbent assay (ELISA) and Western blotting. The results show that the physical and chemical adsorption occurred at the same time, but the former was unstable and apt to desorb, and the maximum conjugation amount of antibody was about 96 μg on the 0.1 mg MNPs by covalent bond. The stability was also investigated, and after 300 days the antibodies on the IMNPs remained the biological activity.