First-principles study on the crystal, electronic structure and mechanical properties of hexagonal Al3RE (RE = La, Ce, Pr, Nd, Sm, Gd) intermetallic compounds

The structural properties, elastic properties and electronic structures of hexagonal Al₃RE intermetallic compounds are calculated by using first-principles calculations based on density functional theory. Since there exists strong on-site Coulomb repulsion between the highly localized 4f electrons of RE atoms, we present a combination of the GGA and the LSDA+U approaches in order to obtain the appropriate results. The GGA calculated lattice constants for the hexagonal Al₃RE intermetallic compounds are in good agreement with available experimental values. The results of cohesive energy indicate that these compounds can be stable under absolute zero Kelvin and the stability of Al₃Gd is the strongest in all of the hexagonal Al₃RE compounds. The densities of states for GGA and LSDA+U approaches are also obtained for the Al₃RE intermetallic compounds. The mechanical properties are calculated from the GGA method in this paper. According to the computed single crystal elastic constants, Al₃La, Al₃Sm and Al₃Gd are mechanically unstable, while Al₃Ce, Al₃Pr and Al₃Nd are stable. The polycrystalline elastic modulus and Poisson’s ratio have been deduced by using Voigt-Reuss-Hill (VRH) approximations, and the calculated ratio of bulk modulus to shear modulus indicates that Al₃La compound is ductile material, but Al₃Ce, Al₃Pr, Al₃Nd, Al₃Sm and Al₃Gd are brittle materials.     

包层模谐振特种光纤及传感特性研究

研究了一种具有双包层结构的包层模谐振特种光纤,该特种光纤具有一个低折射率内包层,基于耦合模原理,纤芯模与包层模之间发生谐振耦合,从而获得具有带阻特性的传输光谱.系统介绍了包层模谐振光纤的制备、传输原理及其弯曲、溶液折射率、折射率/温度双参量等传感特性.实验和理论研究结果表明,包层模谐振特种光纤对于弯曲、溶液折射率参量具...     

高功率全固态绿光激光技术研究进展

 报道了高功率全固态腔内和腔外倍频两种绿光激光器研究进展。腔内倍频绿光激光器采用L型腔双棒串接结构,在重复频率10 kHz时,用三硼酸锂晶体倍频获得绿光功率186 W,光-光效率达15.8%。腔外倍频绿光激光器采用主振荡和功率放大器,在重复频率400 Hz时,获得基频激光单脉冲能量1.2 J,采用Ⅱ类相位匹配KTP晶体腔外倍频,获得525 mJ的绿光输出,倍频效率为43.7%。采用偏振合成技术获得了单脉冲能量大于1 J的绿光输出。在该激光放大器实验装置上,进行了双模块热效应补偿技术和受激布里渊散射相位共轭技术实验研究,改善了激光光束质量。     

Constrained Nonconvex Nonsmooth Optimization via Proximal Bundle Method

In this paper, we consider a constrained nonconvex nonsmooth optimization, in which both objective and constraint functions may not be convex or smooth. With the help of the penalty function, we transform the problem into an unconstrained one and design an algorithm in proximal bundle method in which local convexification of the penalty function is utilized to deal with it. We show that, if adding a special constraint qualification, the penalty function can be an exact one, and the sequence generated by our algorithm converges to the KKT points of the problem under a moderate assumption. Finally, some illustrative examples are given to show the good performance of our algorithm.     

Non-cooperative games with minmax objectives

We consider noncooperative games where each player minimizes the sum of a smooth function, which depends on the player, and of a possibly nonsmooth function that is the same for all players. For this class of games we consider two approaches: one based on an augmented game that is applicable only to a minmax game and another one derived by a smoothing procedure that is applicable more broadly. In both cases, centralized and, most importantly, distributed algorithms for the computation of Nash equilibria can be derived.     

Block diagonal dominance of matrix and spectral inclusion regions

Suppose that comlex matrix A or order n is partitioned as where the diagonal submatrices A_(ⅱ) are square of order n_i(1≤i≤N) .If each A_(ⅱ)is nonsingular and satisfies sum from (j=1 j≠i) to N(‖A_(ij)~(-1)A_(ij)‖≤1),1≤i≤N. thon A is called quasi-block diagonally domfnant. Specially, if strictly inequality in(2) is valid for all 1≤i≤N then A is called quasi-block strictly diagonally dominant. If strict inequality in (2) is valid for at least one i (1≤i≤N) and     

Synthesis of two new cage molecules containing trinitromethyl group

<正>Two new cage compounds,4-trinitroethyl-10-nitro-2,6,8,12-tetraacetylhexaazaisowurtzitane(3) and 4-trinitroethyl- 2,6,8,10,12-pentanitrohexaazaisowurtzitane(4),containing trinitromethyl group were synthesized by a novel method,and their structures were confirmed by IR,~1H NMR,MS and single crystal X-ray.DSC result shows that compound 4 has surprising thermal stability and could be a potential energetic compound.     

CuCl2·2N（C5D5）中的孤子激发

采用双子格模型和相干态表示，考虑磁－声子耦合作用和磁子间的相互作用，研究了具有最近邻和次近邻相互作用的一维反铁磁分子晶体ＣｕＣｌ２·２Ｎ（Ｃ５Ｄ５）的非线性集体激发特性，分析了孤子的峰值、宽度、能量和有效质量的特点，结果表明ＣｕＣｌ２·２Ｎ（Ｃ５Ｄ５）中出现孤子激发是可能的。     

交叉流聚丙烯中空纤维膜式氧合器的传质研究Ⅰ结构因子α、β的测定和氧合器传质效果评价

在膜式氧合器水气传递实验装置上分别对二种不同的交叉流微孔聚丙烯中空纤维膜式氧合器进行了水气传递实验，测得了氧合器的结构因子α、β，并用Ｍｏｃｋｒｏｓ和Ｌｅｏｎａｒｄ对Ｏ２传递建立的半经验数学模型拟合了血气传递实验中氧气在血中的传递速率。结果表明，理论计算与实验数据十分吻合，偏差小于１０％。讨论了α、β与膜式氧合器的传递效果的关系。     

Photodynamic effect on cancer cells influenced by electromagnetic fields.

The synergism of low-frequency electromagnetic field treatment and photodynamic effect on killing of human cancer cells is presented. The weak pulsating electromagnetic field (PEMF) generated by Helmholtz coils in the mT range influences the permeability of cell membranes for photosensitizers. Several types of sensitizers were excited by visible light during incorporation without and with two kinds of PEMF treatment. In the first part suitable photosensitizers were selected in the absorption range between 400 and 700 nm against human myeloid leukaemia K562 and human histiocytic lymphoma U937 cells by treatment of PEMF consisting of rectangular pulse groups. In the second part amplitude and frequency dependencies were measured using sinuous PEMF and white light with the result that after 12 min the PEMF treatment enhanced photodynamic effectivity by more than 40% over the control value. Taking into account the influence of many parameters, an additional optimization will be possible by photodynamic PEMF synergism for an increased drug delivery in general.