V3X系d带相对移动量的配位场方法的计算

本文用配位场方法计算在D₂d)晶场作用下,V₃X(X=Si,Ga,Ge,Sb,Sn)超导化合物中d电子各态的附加势能,给出A-15超导化合物d带相对移动模型中的特征量——d子带相对移动量△E_⊥——与晶格常数的解析关系及其数值结果。并用于磁化率的计算。 关键词：     

钢在疲劳过程中的超声衰减

测量了高强度钢的紧凑拉伸试样在疲劳过程中的10MHz超声衰减,研究了疲劳裂纹前端区域内的位错动态行为。 关键词：     

A-15型V3B系超导化合物正常态顺磁磁化率

本文根据文献[1]提出的d带相对移动模型,计算了A-15型V₃B系化合物的顺磁磁化率及其随温度变化的趋势,计算结果与实验数据大体相符。     

Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node

Solvothermal reaction of CuI with flexible 1,3-bis(4-pyridyl)propane generated the first three-dimensional coordination polymer constructed with the rigid tetrahedrally connected Cu4I4 cluster unit. The net is a rare chiral triple-interpenetrated, quartz net with of vertex symbol 6(4).8(2). The solid-state luminescence spectrum displays a strong red emission band at room temperature (lambdamax= 601 nm), characteristic of the Cu4I4 cluster centers.     

Structural changes of purple membrane and bacteriorhodopsin during its denaturation induced by high pH

Bacteriorhodopsin (bR) trimers naturally form two-dimensional hexagonal crystals in purple membrane (PM), which make it very stable. However, the dnaturation of bR was found to occur during a very narrow pH range when the pH was increased above 12.0, as indicated by inactivation of the photochemical cycle observed by flash photolysis kinetic spectra. Here, atomic force microscopy was used to study the surface structural changes of PM during the denaturation process induced by high pH. Together with the absorption and fluorescence spectra, it was found that the structural changes could be divided into three steps. First, some hydrophobic amino acids of bR become exposed to the aqueous environment and PM loses its 2D crystalline structure, transforming into the so-called "nonisland" structure. Second, bR molecules are extracted out of membrane and form protrusions on the surface like islands in the sea; therefore, the "nonisland" structure transforms into the "island" structure. Finally, most bRs break off from the membrane and form large depositions.     

Numerical study of the spin-Hall conductance in the Luttinger model

We present the first numerical studies of the disorder effect on the recently proposed intrinsic spin-Hall conductance in a three dimensional lattice Luttinger model. The results show that the spin-Hall conductance remains finite in a wide range of disorder strength, with large fluctuations. The disorder-configuration-averaged spin-Hall conductance monotonically decreases with the increase of disorder strength and vanishes before the Anderson localization takes place. The finite-size effect is also discussed.     

Ice tessellation on a hydroxylated silica surface

The adsorption of water on a fully hydroxylated silica surface is studied by using density-functional total-energy and molecular dynamics calculations. The (100) surface of beta(alpha)-cristobalite covered by geminal hydroxyls has been taken as the substrate. A well-ordered and stable two-dimensional ice with quadrangular and octagonal patterns of hydrogen bond (H-bond) networks-an ice tessellation-is found on the surface for the first time. With the vibrational recognition, the four water molecules in the quadrangle are found to be bonded by strong H bonds while the quadrangles are connected to each other by weak H bonds. This configuration is the most stable, because all the water molecules are fully saturated with H bonds either to each other or to the surface hydroxyl groups.     

Upper Bounds for the Laplacian Graph Eigenvalues

We first apply non-negative matrix theory to the matrix K = D A, where D and A are the degree-diagonal and adjacency matrices of a graph G, respectively, to establish a relation on the largest Laplacian eigenvalue λ1 (G) of G and the spectral radius p(K) of K. And then by using this relation we present two upper bounds for λ1(G) and determine the extremal graphs which achieve the upper bounds.