无网格局部Petrov-Galerkin法求解板壳弹塑性大变形

无网格局部Petrov-Galerkin法构造的高阶光滑的形函数非常适合建立板壳结构场函数的逼近函数,是一种比较理想的研究板壳问题的方法。基于Mindlin板壳理论,采用更新拉格朗日原理和大变形条件下场量的无网格表达形式,实现了率型无网格局部Petrov-Galerkin方法对板壳弹塑性大变形的求解,算例分析表明了方法的有效性和较高的分析精度。     

多孔介质中流体流动及扩散的耦合格子Boltzmann模型

多孔介质中高Péclet数和大黏性比下混溶流体的流动和扩散广泛存在于二氧化碳驱油、化工生产等工业过程中.用数值方法对该问题进行研究时,关键在于如何正确描述高Péclet数和大黏性比下多孔介质内流体的行为.为此,提出了一种基于多松弛模型和格子动理模型的耦合格子Boltzmann模型.通过Chapman-Enskog分析,证明该模型能有效求解不可压Navier-Stokes方程和对流扩散方程.数值结果表明,该模型不仅具有二阶精度和良好的稳健性,而且对于高Péclet数和大黏性比的问题具有良好的数值稳定性,为模拟此类问题提供了有效工具.     

毛细管气相色谱法测定小麦粉中的过氧化苯甲酰

在国标GB／T18415—2001的基础上,以OV-1701石英毛细管柱为分析柱、氢火焰离子化检测器为检测器,采用气相色谱法测定小麦粉中的过氧化苯甲酰。小麦粉中过氧化苯甲酰测量结果的相对标准偏差小于1.1％,加标回收率为96．5％～101．0％,检出限为10μg／mL,样品分析时间约为20min。与国标方法相比,该法不仅缩短了检测时间,而且提高了检测灵敏度。     

基于八氢联萘酚的大位阻手性发光材料构建及光电性质研究

以手性发光材料为发光中心制备能够直接发射出圆偏振电致发光(circularly polarized electroluminescence, CPEL)的器件, 即CP-organic light-emitting diode (CP-OLED), 在3D显示领域有极大的应用前景. 本工作设计了基于八氢联萘酚的手性热激活延迟荧光材料(S/R)-OBN-tBuCz, 八氢联萘酚作为有效的手性源, 而叔丁基咔唑取代的氰基苯作为高效发光部分. 八氢联萘酚外围较多的氢原子以及较大的叔丁基可以有效增加手性发光分子的空间位阻, 降低堆积效应, 抑制浓度淬灭, 有效提升器件的发光效率. 所合成的手性发光材料展现出明亮的绿光发射(523 nm)、高的荧光量子产率(85.2%)、较小的单线态-三线态能级差ΔE_ST (0.05 eV)和优秀的热稳定性. 圆二色(CD)与圆偏振发光(CPL)光谱显示出明显的对称圆偏振发光信号, 且溶液中的g_PL为+8.6×10^-4和–6.5×10^-4. 基于(S/R)-OBN-tBuCz的电致发光器件表现出优异性能: 起亮电压为3.9 V, 最大亮度为27709 cd•m^-2, 最大电流效率为43.8 cd•A^-1, 最大功率效率为33.5 lm•W^-1, 最大外量子效率为12.4%, 效率滚降很低, 并显示出明显的圆偏振电致发光信号, g_EL分别为+1.57×10^-3和–0.90×10^-3. 大位阻手性发光材料的设计有助于实现高效的CP-OLED, 该研究能促进手性发光材料及圆偏振电致发光器件等相关研究领域的发展.     

Induced subgraphs with large degrees at end-vertices for hamiltonicity of claw-free graphs

A graph is called claw-free if it contains no induced subgraph isomorphic to K1,3. Matthews and Sumner proved that a 2-connected claw-free graph G is Hamiltonian if every vertex of it has degree at least (|V(G)|-2)/3. At the workshop C&C (Novy Smokovec, 1993), Broersma conjectured the degree condition of this result can be restricted only to end-vertices of induced copies of N (the graph obtained from a triangle by adding three disjoint pendant edges). Fujisawa and Yamashita showed that the degree condition of Matthews and Sumner can be restricted only to end-vertices of induced copies of Z₁ (the graph obtained from a triangle by adding one pendant edge). Our main result in this paper is a characterization of all graphs H such that a 2-connected claw-free graph G is Hamiltonian if each end-vertex of every induced copy of H in G has degree at least |V(G)|/3+1. This gives an affirmative solution of the conjecture of Broersma up to an additive constant.     

一种基于证据推理的多指标多标度大群体决策方法

针对多指标多标度大群体决策问题,提出了一种基于证据推理的决策方法.首先将参与决策人针对各指标给出的方案评价信息转化为关于指标评价标度的概率分布.然后运用证据推理方法将针对不同指标的概率分布形式的群体评价信息进行集结,得到关于综合评价标度分布形式的群体综合评价信息,在此基础上计算每个方案的效用值,并据此对方案进行排序.最后,通过一个实例说明了本文提出方法的可行性和有效性.本文的方法为解决大群体决策问题提供了一种新途径.具有实际应用价值.     

Two-level hierarchical parallelization of second-order Møller-Plesset perturbation calculations in divide-and-conquer method

A two‐level hierarchical parallelization scheme including the second‐order Møller–Plesset perturbation (MP2) theory in the divide‐and‐conquer method is presented. The scheme is a combination of coarse‐grain parallelization assigning each subsystem to a group of processors, with fine‐grain parallelization, where the computational tasks for evaluating MP2 correlation energy of the assigned subsystem are distributed among processors in the group. Test calculations demonstrate that the present scheme shows high parallel efficiency and makes MP2 calculations practical for very large molecules. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011     

三种湍流模式数值模拟直角弯管内三维分离流动的比较

采用有限体积法数值离散雷诺时均Navier Stokes方程,模拟了方形截面90°大曲率弯曲管道内的三维湍流流动.用3种湍流模式(标准k-ε湍流模式、RNG k-ε湍流模式、Realizable k-ε湍流模式)求解该问题.给出了数学模型和计算结果,并与实验数据进行了比较.结果表明,采用RNG k-ε湍流模式并结合两层壁面模型的处理,能有效准确地求解强曲率影响的管道内及近壁区湍流的流动.     

均布载荷作用下带边缘大波纹膜片的非线性弯曲

采用轴对称旋转壳体的简化Reissner方程，研究了在均布载荷作用下具有硬中心的带边缘大波纹膜片的非线性弯曲问题．应用积分方程方法，获得了具有夹紧固定和滑动固定两种外边界的膜片的特征关系，即荷载-中心挠度曲线．作为算例，给出了夹紧固定膜片中的应力分布．     

Performance study of new style mosaic MRPC

The Compact Muon Solenoid (CMS) at LHC intends to use a high rate trapezoid MRPC for the muon system upgrade, but the size of the MRPC is limited by the dimensions of low resistivity glass. We have designed a prototype of a large MRPC in which the electrodes are developed by gluing two pieces of glass plates. Simulation of the weighting field and cosmic ray test shows that the efficiency of the glued MRPC is higher than 96% and the time resolution is better than 71 ps.