基本解方法与边界节点法求解Helmholtz方程的比较研究

基本解方法和边界节点法是基于径向基函数的两种重要无网格边界离散数值技术。针对Helmholtz方程,本文比较研究这两种数值方法在不同计算区域问题上的计算精度、插值矩阵对称性、病态性及计算成本。数值试验结果表明,两种方法都可以有效求解边界数据准确的Helmholtz问题。在数值离散过程中,两种方法都可以通过调整配置点的位...     

圆形地下连续墙场地地震反应的简化计算方法

首先将水平地震荷载作用沿环向展开为傅立叶级数,利用沿圆周法向和切向两个方向的正交性,再将水平地震荷载转化为一致横向荷载组合,使三维求解问题转变为一系列旋转子午面上二维问题的叠加,进而提出圆形地下连续墙场地地震反应的简化计算方法。之后,采用等效线性化方法来考虑土体非线性性质,进一步将非线性地震反应问题转化为线性问题求解。...     

基于SPH方法的表面张力修正算法及其应用

针对传统SPEI方法中基于CSF模型的表面张力算法,在计算边界、尖角等粒子缺失部位的曲率时存在偏差较大,且粒子秩序较差,对大变形问题表面张力计算精度较低的问题,在Morris提出的表面张力SPH方法基础上,通过引入CSPM方法对边界法向的计算和曲率的计算进行修正,得到了表面张力修正方程组.应用本文方法模拟了水溶液中初始...     

钝感炸药爆轰波传播和驱动的数值模拟研究

为实现对非理想爆轰波传播和爆轰驱动问题的精确计算,研究了与贴体坐标下Level Set方法相结合的爆轰冲击波动力学(DSD)计算方法;根据Hamilton-Jacobi方程的Godunov差分格式,提出了非正交的贴体坐标系中Level Set函数方程的差分格式及其相应的数值方法;并将该DSD方法与二维流体动力学程序TD...     

三维前处理有限差分网格剖分技术的研究

针对三维流体弹塑性计算程序MMIC-3D计算网格为直六面体网格的特点,开发出了三维前处理程序MESH-3D.MESH-3D可进行复杂实体建模,并完成实体模型的有限差分网格剖分.MESH-3D采用CSG和STL模型两种建模方式.针对CSG实体,采用实体逐层求取轮廓线的剖分算法;针对STL模型,采用基于边的整体切片法的剖分...     

Asymmetric synthesis of pyrrolo[1,2-a]indoles via organocatalytic[3 + 2] annulation of substituted 2-vinylindoles with azlactones

The chiral phosphoric acid catalyzed asymmetric[3+2]annulation of substituted 2-vinylindoles with azlactones has been established.This reaction represented a practical approach for the synthesis of structurally diverse pyrrolo[1,2-a]indoles with two vicinal stereocenters including one tetrasubstituted stereocenter in good yields and good stereoselectivities under mild conditions.     

Synthesis of core-shell structured Au@Bi2S3 nanorod and its application as DNA immobilization matrix for electrochemical biosensor construction

The core-shell structured Au@Bi2S3 nanorods have been prepared through direct in-situ growth of Bi2S3 at the surface of pre-synthesized gold nanorods.The product was characterized by X-ray diffraction,transmission electron microscopy and energy-dispersive X-ray spectroscopy.Then the obtained Au@Bi2S3 nanorods were coated onto glassy carbon electrode to act as a scaffold for fabrication of electrochemical DNA biosensor on the basis of the coordination of-NH2 modified on 5’-end of probe DNA and Au@Bi2S3.Electrochemical characterization assays demonstrate that the Au@Bi2S3 nanorods behave as an excellent electronic transport channel to promote the electron transfer kinetics and increase the effective surface area by their nanosize effect.The hybridization experiments reveal that the Au@Bi2S3 matrix-based DNA biosensor is capable of recognizing complementary DNA over a wide concentration ranging from 10 fmol/L to 1 nmol/L.The limit of detection was estimated to be 2 fmol/L(S/N=3).The biosensor also presents remarkable selectivity to distinguish fully complementa ry sequences from basemismatched and non-complementary ones,showing great promising in practical application.     

Remote regioselective organocatalytic asymmetric [3+2] cycloaddition of N-2,2,2-trifluoroethyl isatin ketimines with cyclic 2,4-dienones

An organocatalytic asymmetric [3+2] cycloaddition of trifluoromethyl-containing azomethine ylides with cyclic 2,4-dienones was developed.The process enables efficient incorporation of CF3 groups into functionalized spiro [pyrro lid in-3,2'-oxindoles] in high yields with good to excellent enantio-and diastereoselectivities.     

Synthesis of Z-scheme g-C3N4 nanosheets/Ag3PO4 photocatalysts with enhanced visible-light photocatalytic performance for the degradation of tetracycline and dye

Graphene-like C3N4/Ag3PO4 photocatalysts are synthesized by calcination and solutions precipitating method.The obtained g-C3N4/Ag3PO4 composites display excellent photocatalytic activity for the degradation of methylene orange(MO),rhodamine B(RhB)and tetracycline(TC)under visible light irradiation.The solutions containing RhB(10 mg/L)and MO(10 mg/L)can be efficiently degraded within15 min and 30 min.Especially,nearly 80%of TC(50 mg/L)is degraded within 20 min.which are much better than those of pure g-C3N4 nanosheets and Ag3PO4,implying that strong interaction and reasonable energy band alignment in the contact interface can effectively transfer the carries.Furthermore,the g-C3N4/Ag3PO4 composites exhibit the improved stability,and only a slight decrease is observed after three recycling runs.Moreover,the impact of inorganic ions and PH values on the degradation performance is rather small.The Z-scheme photocatalytic mechanism of the g-C3N4/Ag3PO4 composites based on the active species trapping experimental is proposed.This work demonstrates the promising applications of the g-C3N4/Ag3PO4 composites in environmental issues.     

Enhanced TE properties of Cu@Ag/Bi2Te3 nanocomposites by decoupling electrical and thermal properties

Cu@Ag/Bi2Te3 nanocomposites were prepared for the first time by ultrasonic dispersion-rapid freezedrying method combined with spark plasma sintering(SPS).By changing the content of Cu@Ag nanoparticle,we could modulate the temperature dependent thermoelectric properties.The highest ZT value can be obtained at 450 K for 1 vol%Cu@Ag/Bi2Te3,which is benefited from the decoupling of electrical and thermal properties.With the increase of electrical conductivity,the absolute value of Seebeck coefficient lifts while the thermal conductivity declines.Meanwhile,the average ZT value between 300 K and 475 K was 0.61 for 1 vol%Cu@Ag/Bi2Te3,which is much higher than that of pristine Bi2 Te3.Therefore,the decoupling effect of Cu@Ag nanoparticles incorporation could be a promising method to broaden the application of Bi2Te3 based thermoelectric materials.