Multi-scale finite element simulation on large deformation behavior of wood under axial and transverse compression conditions

Acta Mechanica Sinica - Multi-scale finite element method is adopted to simulate wood compression behavior under axial and transverse loading. Representative volume elements (RVE) of wood...     

Half‐sandwich Ruthenium (II) complexes with triphenylamine modified dipyridine skeleton and application in biology/luminescence imaging

Four half‐sandwich ruthenium^II (Ru^II) complexes with triphenylamine‐modifed dipyridine frameworks were synthesized and characterized. The cytotoxicity of target complexes toward A549 (lung cancer cells), HeLa (cervical cancer cells) and HepG2 (hepatoma cells) were obtained by the MTT assay, which were superior to cisplatin with the IC₅₀ values changed from 2.4 ± 0.1 μM to 9.2 ± 2.7 μM. Meanwhile, complexes possess the ability of antimetastasis to cancer cells. Ru^II complexes could be transported by serum albumin, catalyze the conversion of NADH (the reduced state of nicotinamide‐adenine dinucleotide) to NAD⁺ and induce the accumulation of reactive oxygen species, which confirmed the antineoplastic mechanism of oxidation. Ru^II complexes could enter A549 cells followed by a non‐energy dependent cellular uptake mechanism, target lysosomes with the Pearson's colocalization coefficient of 0.75, lead to lysosomal damage, disturb the cell cycle (S phase), and eventually induce apoptosis. The results demonstrate that these Ru^II complexes are potential anticancer agents with dual functions, including metastasis inhibition and lysosomal damage.     

壳体结构优化及其DDDU(W)新版本

本文建立了壳体结构优化的序列二次规划模型,对八节点等参壳单元做了优化处理,扩充了通用结构优化程序DDDU(W)的功能。文末算例表明了算法的合理性与有效性。     

Stochastic partial differential equations with unbounded and degenerate coefficients

In this article, using DiPerna-Lions theory (DiPerna and Lions, 1989) [1], we investigate linear second order stochastic partial differential equations with unbounded and degenerate non-smooth coefficients, and obtain several conditions for existence and uniqueness. Moreover, we also prove the L¹-integrability and a general maximal principle for generalized solutions of SPDEs. As applications, we study nonlinear filtering problem and also obtain the existence and uniqueness of generalized solutions for a degenerate nonlinear SPDE.     

Green’s function of time fractional diffusion equation and its applications in fractional quantum mechanics

Fractional equations, which have derivatives of noninteger order, are very successful in describing anomalous kinetics, transport, and chaos. To obtain the exact solutions of these equations, we need to find a more valid analytical method. In this paper, we propose a new technique for solving a class of time fractional partial differential equations. Then this method is successfully applied to find the Green’s functions; emphasis in the applications is given to the questions in anomalous diffusion and the time Schrödinger equation.     

基于第一性原理方法研究ReOx在ReOx-Rh/ZrO2和ReOx-Ir/ZrO2催化的甘油氢解反应中的作用机制

采用密度泛函理论研究了ZrO₂负载的Ru基、Rh基以及Re改性的Rh基、Ir基催化剂上甘油氢解生成1,2-丙二醇和1,3-丙二醇的热力学过程, 重点考察了ReO_x调变催化剂活性和选择性的作用机制. 结果表明, Ru/ZrO₂和Rh/ZrO₂催化剂上甘油分解经由脱水-加氢反应途径, 1,2-丙二醇的生成是热力学有利过程, 其中Ru基催化剂活性更高. 在Re修饰的Rh基和Ir基催化剂上, 反应遵循直接氢解机理, 其中金属表面解离的氢原子进攻ReO_x团簇上与醇盐紧邻的C-O键是催化甘油转化为丙二醇最核心的步骤. ReO_x-Rh/ZrO₂催化剂上1,2-丙二醇为主要产物, 并伴随1,3-丙二醇的生成, ReO_x的修饰则显著提高了Ir/ZrO₂催化剂上1,3-丙二醇选择性. 与单金属催化剂上发生的间接氢解机理相比, 修饰催化剂上1,3-丙二醇选择性的提高可主要归因于Rh(Ir)-Re协同催化的直接氢解反应过程, 其中羟基化铼官能团有利于末端醇盐中间体的生成. ReO_x-Ir/ZrO₂催化剂上较大的Ir-Re团簇使得末端金属醇盐的立体优选性比次级醇盐更为突出, 从而具有最高的1,3-丙二醇选择性.     

一种全耦合多相流分析的并行计算方法1)

研究了孔隙介质中热、水和汽流全耦合分析的并行计算方法.模型中采用了考虑毛细压力关系的修正有效应力概念,并考虑了相变和潜热传递.基本变量为位移、毛细压力、汽压和温度.并行程序是在国家高性能计算中心(北京)的曙光1000A上借助PVM(Parallel Virtual Machine)软件系统实现的,考题显示出较高的并行加速比和效率.     

Freidlin-Wentzell's large deviations for homeomorphism flows of non-Lipschitz SDEs

We prove a Freidlin-Wentzell large deviation principle for multi-dimensional stochastic differential equations with non-Lipschitz coefficients and apply it to the Brownian motion on the diffeomorphism group of the disc constructed recently by Airault, Malliavin and Thalmaier.     

Euler schemes and large deviations for stochastic Volterra equations with singular kernels

In this paper, an Euler type approximation is constructed for stochastic Volterra equation with singular kernels, which provides an algorithm for numerical calculation. Then, the large deviation estimates of small perturbation to equations of this type are obtained. We finally apply them to SDEs with the kernel of fractional Brownian motion with Hurst parameter H∈(0,1).     

基于吴方法的几何定理证明的恒等式方法

多年来通常认为以吴方法为代表的几何定理机器证明的坐标法给出的证明不可读,或不是图灵意义下的类人解答.其实,只要对吴氏的算法做不多的改进,即将命题的结论多项式表示为其条件多项式的线性组合,就能获得不依赖于理论、算法和大量计算过程的恒等式明证.这样的恒等式可以转化为其他更简明且更有直观几何意义的点几何形式或向量及其他形式,从而获得多种证明方法.这也证明了点几何恒等式明证方法对等式型几何命题的普遍有效性.