基于几何不变量的蛋白质三维分子结构比对

为了解决蛋白质三维结构比对需要处理大量的旋转、平移变换，直接用动态规划将变得十分繁琐这一问题，在保留蛋白质空间结构属性特征的基础上，对蛋白质三维数据进行了预先的处理．通过计算蛋白质结构在旋转和平移下的几何不变量，将蛋白质的三维结构坐标变换为具有旋转、平移不变性的一维序列．进一步给出了“距离”以及“相似得分”的定义．在此基础上采用动态规划方法给出了新的蛋白质结构比对算法．对专家分类的蛋白质结构数据库进行测试，结果显示准确、快速．     

一些特殊图类乘积的离散度

连通图的离散度是用s(G)来表示的,s(G)=max{ω(G-S)-|S|:ω(G-S)>1,SV(G)}.给出了两个完全图乘积的和一个完全图与路的乘积的离散度.还给出了两个完全图乘积的坚韧度.     

Performance Analysis for Mobile Ad Hoc Network in Random Graph Models with Spatial Reuse

In this paper,we present a random graph model with spatial reuse for a mobile ad hoc network(MANET) based on the dynamic source routing protocol.Many important performance parameters of theMANET are obtained,such as the average flooding distance (AFD),the probability generating function of theflooding distance,and the probability of a flooding route to be symmetric.Compared with the random graphmodel without spatial reuse,this model is much more effective because it has a smaller value of AFD and alarger probability for finding a symmetric valid route.     

轻型汽车后桥半轴断裂件的组织及断口特征

采用光学显微镜和扫描电子显微镜等手段，对某轻型汽车40Cr后桥半轴断裂件的组织及断口特征进行了分析结果表明：半轴在调质处理时的淬火温度不够高，使其表层和心部组织中存在较多的铁素体相，造成了工件最终的硬度和疲劳强度不足，导致半轴在使用中发生扭转疲劳断裂．     

Shape sensitivity of a plane crack front

The 3D‐elasticity model of a solid with a plane crack under the stress‐free boundary conditions at the crack is considered. We investigate variations of a solution and of energy functionals with respect to perturbations of the crack front in the plane. The corresponding expansions at least up to the second‐order terms are obtained. The strong derivatives of the solution are constructed as an iterative solution of the same elasticity problem with specified right‐hand sides. Using the expansion of the potential and surface energy, we consider an approximate quadratic form for local shape optimization of the crack front defined by the Griffith criterion. To specify its properties, a procedure of discrete optimization is proposed, which reduces to a matrix variational inequality. At least for a small load we prove its solvability and find a quasi‐static model of the crack growth depending on the loading parameter. Copyright © 2003 John Wiley & Sons, Ltd.     

混凝土动态劈裂拉伸试验的数值模拟

采用LS-DYNA有限元编码程序，对混凝土的动态劈裂拉伸试验进行了数值模拟，给出了混凝土试样在不同类型加载情况下应力分布之间的差异，证实了动态劈裂拉伸试验的有效性，提出了改进试验方法的若干结论．     

Dynamic mechanical thermal analysis transitions of partially and fully substituted cellulose fatty esters

The main transitions of cellulose fatty esters with different degrees of substitution (DSs) were investigated with dynamic mechanical thermal analysis. Two distinct main relaxations were observed in partially substituted cellulose esters (PSCEs). They were attributed to the glass‐transition temperature and to the chain local motion of the aliphatic substituents. The temperatures of both transitions decreased when DS or the number of carbon atoms (n) of the acyl substituent increased. Conversely, all the transitions of fully substituted cellulose esters occurred within a narrow temperature range, and they did not vary significantly with n. This phenomenon was explained by the formation of a crystalline phase of the fatty substituents. The presence of few residual OH groups in PSCEs was responsible for a large increase in the storage bending modulus, and it eliminated the effect of n on damping. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 281–288, 2003     

Viscoelastic properties of nanostructured natural rubber/polystyrene interpenetrating polymer networks

The effects of the blend ratio and initiating system on the viscoelastic properties of nanostructured natural rubber/polystyrene‐based interpenetrating polymer networks (IPNs) were investigated in the temperature range of ?80 to 150 °C. The studies were carried out at different frequencies (100, 50, 10, 1, and 0.1 Hz), and their effects on the damping and storage and loss moduli were analyzed. In all cases, tan δ and the storage and loss moduli showed two distinct transitions corresponding to natural rubber and polystyrene phases, which indicated that the system was not miscible on the molecular level. However, a slight inward shift was observed in the IPNs, with respect to the glass‐transition temperatures (T_g's) of the virgin polymers, showing a certain degree of miscibility or intermixing between the two phases. When the frequency increased from 0.1 to 100 Hz, the T_g values showed a positive shift in all cases. In a comparison of the three initiating systems (dicumyl peroxide, benzoyl peroxide, and azobisisobutyronitrile), the dicumyl peroxide system showed the highest modulus. The morphology of the IPNs was analyzed with transmission electron microscopy. The micrographs indicated that the system was nanostructured. An attempt was made to relate the viscoelastic behavior to the morphology of the IPNs. Various models, such as the series, parallel, Halpin–Tsai, Kerner, Coran, Takayanagi, and Davies models, were used to model the viscoelastic data. The area under the linear loss modulus curve was larger than that obtained by group contribution analysis; this showed that the damping was influenced by the phase morphology, dual‐phase continuity, and crosslinking of the phases. Finally, the homogeneity of the system was further evaluated with Cole–Cole analysis. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 1680–1696, 2003     

Second order parabolic equations in Banach spaces with dynamic boundary conditions

In this paper, we exhibit a unified treatment of the mixed initial boundary value problem for second order (in time) parabolic linear differential equations in Banach spaces, whose boundary conditions are of a dynamical nature. Results regarding existence, uniqueness, continuous dependence (on initial data) and regularity of classical and strict solutions are established. Moreover, several examples are given as samples for possible applications.

     

Modeling of the Kinetics of Intramolecular Processes and Transient Spectra with Allowance for Nonradiative Transitions

It has been shown that the kinetics of intramolecular processes and time-resolved spectra with allowance for the quantum beats of the resonant states of isomers or isolated subsystems of levels of one isomeric form can be described with the use of a molecular model interpreting the effect of beats as a nonradiative transition. We have obtained an expression for the nonradiative transition probability, which is directly proportional to the beat frequency and depends oscillatorily on time, thus modeling the effect of beats. The parameter of the molecular system model is the beat frequency directly related to the parameter characterizing the intramolecular interisomeric interactions (the corresponding nondiagonal element of the energy matrix) rather than the value of the nonradiative transition probability. The character of the change in the level populations and, accordingly, in the band intensities in the spectra in the proposed model is in good agreement with the experiment, including the fine structure of the time dependences — oscillations of the line intensities. In analyzing the temporal experiment with a high resolution, it is necessary to take into account the instrument function leading to quantitative and qualitative changes in the time dependences. The traditional model of nonradiative transitions with a constant probability value has a very limited range of applicability — very high beat frequencies compared to the probability of optical transitions.