甘氨酸色氨酸寡肽链的红外光谱的密度泛函研究

运用密度泛函理论, 在6-31 G(d) 基组水平上对甘氨酸色氨酸交替组成的六种寡肽链结构进行几何优化, 并进行了结合能和振动光谱地分析. 结果表明, 寡肽的生长利于结构的稳定性. 随着肽链的生长, 单一基团的振动存在蓝移或奇偶震荡现象; 同类官能团的耦合振动存在红移现象; 而肽链端部基团的振动频率基本不变. 这些丰富的频移现象和尺寸效应、耦合效应、诱导效应、奇偶效应等因素共同竞争有关. 该结果对应用红外光谱对寡肽链的残基数及长度地测量等工作有指导意义. 关键词： 寡肽链 红外光谱 耦合效应 尺寸效应     

Quantum phases,supersolids and quantum phase transitions of interacting bosons in frustrated lattices

By using the dual vortex method (DVM), we develop systematically a simple and effective scheme to use the vortex degree of freedoms on dual lattices to characterize the symmetry breaking patterns of the boson insulating states in the direct lattices. Then we apply our scheme to study quantum phases and phase transitions in an extended boson Hubbard model slightly away from 1/3 (2/3) filling on frustrated lattices such as triangular and Kagome lattice. In a triangular lattice at 1/3, we find a X-CDW, a stripe CDW phase which was found previously by a density operator formalism (DOF). Most importantly, we also find a new CDW-VB phase which has both local CDW and local VB orders, in sharp contrast to a bubble CDW phase found previously by the DOF. In the Kagome lattice at 1/3, we find a VBS phase and a 6-fold CDW phase. Most importantly, we also identify a CDW-VB phase which has both local CDW and local VB orders which was found in previous QMC simulations. We also study several other phases which are not found by the DVM. By analyzing carefully the saddle point structures of the dual gauge fields in the translational symmetry breaking sides and pushing the effective actions slightly away from the commensurate filling f=1/3$f=1/3$(2/3)$(2/3)$, we classified all the possible types of supersolids and analyze their stability conditions. In a triangular lattice, there are X-CDW supersolid, stripe CDW supersolid, but absence of any valence bond supersolid (VB-SS). There are also a new kind of supersolid: CDW-VB supersolid. In a Kagome lattice, there are 6-fold CDW supersolid, stripe CDW supersolid, but absence of any valence bond supersolid (VB-SS). There are also a new kind of supersolid: CDW-VB supersolid. We show that independent of the types of the SS, the quantum phase transitions from solids to supersolids driven by a chemical potential are in the same universality class as that from a Mott insulator to a superfluid, therefore have exact exponents z=2$z=2$, ν=1/2$\nu =1/2$, η=0$\eta =0$ (with logarithmic corrections). Excitation spectra of all these insulating phases and supersolid phases are also studied. Implications on QMC simulations with both nearest neighbor and next nearest neighbor interactions in both lattices are given. Some possible intrinsic problems of the DOF in identifying the insulating phases are also pointed out.     

含活性剂液膜去润湿演化的稳定性特征

针对含非溶性活性剂的液膜在固体基底上的去润湿过程,基于润滑理论建立了基态和扰动态下液膜厚度和表面活性剂浓度的演化模型,应用非模态理论分析了演化过程的稳定性特征,探讨了分子间力对液膜去润湿过程的影响. 研究表明,微扰动波的引入（k=1）有利于液膜去润湿过程的稳定进行,扰动能量逐渐衰减,然而,该效果随着扰动波数的增加而显著改变,k ≥ 2时,液膜演化的稳定性反而恶化,扰动能量被逐步放大,演化呈现出非稳定特征. 增大初始液膜厚度可以有效改善液膜流动的稳定性. 范德华力放大了液膜表面的微扰动,使得液膜演化的稳定性下降;相反,Born斥力和静电斥力具有增强去润湿稳定性的作用. 关键词： 活性剂 去润湿 分离压 稳定性     

Performance and Mechanism of Epoxy Resin for Reinforcement of Styrene–Butadiene Rubber

Styrene–butadiene rubber (SBR) vulcanizates reinforced by epoxy resin (EP) have been synthesized by an in-situ vulcanization and curing process. The influences of synthetic parameters, such as the contents of EP, carbon black, and types of compatilizers, on the microstructures, vulcanization, and mechanical properties of SBR have been investigated. It was found that EP in SBR exists in the form of a fibrillar interpenetrating network, which is important for the enhancement of mechanical properties of SBR. The experimental results showed that when the percentage of EP was in the range of 10–20%, the composite materials had the best comprehensive performance. In comparison with pure SBR, the tear strength and the tensile stress at 300% elongation of SBR-EP composite were increased significantly. The method can be applicable for other rubber vulcanizates to improve their mechanical properties.     

On the contact interaction between a strip-shaped punch and a linearly-deformable base through a covering of variable thickness

The contact problem of the frictionless penetration of a punch with strip-shaped section into the surface of a linearly-deformable base protected by a thin elastic layer (covering) of variable thickness, the stiffness of which is comparable to or smaller than that of the supporting elastic body, is investigated. A Fredholm integral equation of the second kind is obtained for the unknown contact pressure with a coefficient in front of the leading term that is a fairly arbitrary function of the longitudinal coordinate. To solve it the Bubnov-Galerkin projection method is used in which the coordinate elements are chosen to be a system of orthogonal polynomials and delta-shaped functions [1, 2] (variational-difference method), together with an algorithm for the required asymptotic expansions [3] when the above-mentioned coefficient is small. In the special case of an elastic half-space protected by a covering of constant thickness, the results obtained are compared with the corresponding characteristics given in [4].     

SUPPLEMENT TO “PASSAGE, BLOCKADE, SINK AND SOURCE OF A PLANAR DYNAMICAL SYSTEM”

A Theorem is given on the number of passages passing throgh a multiply-connected region,which corrects a wrong conjecture in a former paper of the author.     

A PICARD TYPE THEOREM AND BLOCH LAW

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基于RBF网络信道均衡器

在数字通信系统中为了克服信道畸变引起的码间干扰，在接收端必须采用信道均衡技术。在本文中，我们将RBF网络用作均衡器。采用最近邻聚类和直接判决算法来调整隐藏层中心，然后再用LMS算法调整输出层的系数。该算法可以实现在线学习，根据相应的准则增加，删除隐藏层节点。算法事先不必确定隐藏层的节点个数。模拟结果显示，RBF网络均衡器能够正确地将信号从有噪信道中恢复出来，在计算机模拟仿真中其性能与理想贝叶斯均衡器相当。     

Surface passivation in n-type silicon and its application in silicon drift detector

Based on the surface passivation of n-type silicon in a silicon drift detector(SDD), we propose a new passivation structure of SiO2/Al2O3/SiO2 passivation stacks. Since the SiO2 formed by the nitric-acid-oxidation-of-silicon(NAOS)method has good compactness and simple process, the first layer film is formed by the NAOS method. The Al2O3 film is also introduced into the passivation stacks owing to exceptional advantages such as good interface characteristic and simple process. In addition, for requirements of thickness and deposition temperature, the third layer of the SiO2 film is deposited by plasma enhanced chemical vapor deposition(PECVD). The deposition of the SiO2 film by PECVD is a low-temperature process and has a high deposition rate, which causes little damage to the device and makes the SiO2 film very suitable for serving as the third passivation layer. The passivation approach of stacks can saturate dangling bonds at the interface between stacks and the silicon substrate, and provide positive charge to optimize the field passivation of the n-type substrate.The passivation method ultimately achieves a good combination of chemical and field passivations. Experimental results show that with the passivation structure of SiO2/Al2O3/SiO2, the final minority carrier lifetime reaches 5223 μs at injection of 5×10¹⁵ cm^-3. When it is applied to the passivation of SDD, the leakage current is reduced to the order of nA.