双层铜金属薄膜纳米压痕机械性能的分子动力学模拟

多层金属薄膜的机械性质在纳米组件的设计上是非常重要的.目前,纳米尺度材料的机械性质测量的最主要方法为纳米压痕检测技术.本文应用分子动力学理论对双层铜金属薄膜界面的结构形态与特性进行分析探讨.选用FCC结构单晶铜的(100)面,(110)面和双层铜金属薄膜作为探讨界面性质的材料,进而探讨了单晶铜及双层铜金属薄膜的纳米压痕变形性质.     

Synthesis and Crystal Structure of a Novel 2D Cadmium(Ⅱ) Complex Constructed from N-(3-Carboxyphenyl)-4,4'-bipyridinium and Benzene-1,4-dicarboxylic Acid

A novel redox-active bipyridinium ligand N-(3-carboxyphenyl)-4,4'-bipyridinium chloride (HCPBPyCl) and its coordination polymer {[Cd2(CPBPy)2(BDC)(H2O)2Cl2]·6H2O}n 1 (H2BDC = benzene-1,4-dicarboxylic acid) were synthesized and characterized. Crystallographic data for 1: C42H44Cd2C12N4O16, Mr = 1156.51, monoclinic, space group C2/c, a = 21.046(3), b = 11.0036(15), c = 20.012(3)A, β = 98.694(8)°, Z = 4, V = 4581.1(11) A3, Dc = 1.677 g/cm3, F(000) = 2280 and μ = 1.120 mm-1. Complex 1 possesses a thick and undulated two-dimensional layer with (6,3) topology, which interpenetrates with two others (above and below) to extend into a three-di- mensional supramolecular framework.     

二芳氧基螺环磷酸酯的电喷雾电离质谱研究

以氯化螺环磷酸酯和酚类为原料,采用磷酰化反应生成了相应的二芳氧基季戊四醇螺环磷酸酯;通过电喷雾电离串联质谱仪（ESIMs）检测,首次提出了其质谱裂解规律,结果表明,磷酰氧键（O=P-OCH2-）和烷氧键（-OCH2-）均易断裂,为阻燃机理研究提供了依据。     

新型吡唑基咔唑衍生物的合成及其光学性质

以咔唑为原料,合成了一种新型的咔唑衍生物--9-丁基-3,6-二[3'-(5'-三氟甲基)吡唑基]咔唑(4),其结构经1H NMR,IR和MS表征.运用UV和单光子荧光光谱研究了中间体和4的光学性质,结果表明:4有望成为具有应用价值的发光材料.     

Linear analysis of degree correlations in complex networks

Many real-world networks such as the protein–protein interaction networks and metabolic networks often display nontrivial correlations between degrees of vertices connected by edges. Here, we analyse the statistical methods used usually to describe the degree correlation in the networks, and analytically give linear relation in the degree correlation. It provides a simple and interesting perspective on the analysis of the degree correlation in networks, which is usefully complementary to the existing methods for degree correlation in networks. Especially, the slope in the linear relation corresponds exactly to the degree correlation coefficient in networks, meaning that it can not only characterize the level of degree correlation in networks, but also reflects the speed that the average nearest neighbours’ degree varies with the vertex degree. Finally, we applied our results to several real-world networks, validating the conclusions of the linear analysis of degree correlation. We hope that the work in this paper can be helpful for further understanding the degree correlation in complex networks.     

铕(Ⅲ)、铽(Ⅲ) β-二酮配合物的制备及表征

醋酸铕、醋酸铽分别与乙酰丙酮在60°C水浴下加热回流,生成两种稀土β-二酮配合物,即乙酰丙酮铕(Eu(acac)3?3H2O)和乙酰丙酮铽(Tb(acac)3?3H2O),在紫外灯下观察配合物发光现象,乙酰丙酮铕在紫外灯下显暗红色,乙酰丙酮铽在紫外灯下显亮绿色。红外分析结果与理论相吻合,荧光分析表明它们是较好的荧光材料,热分析结果说明它们的热稳定性相对较高。     

Al2O3/SnO2 Co-Nanoparticle Modified Grafted Collagen for Improving Thermal Stability and Infrared Emissivity

Al2O3/SnO2 co-nanoparticles were prepared with a modified sol-gel technique followed by a thermal treatment process. With these co-nanoparticles the grafted collagen-Al2O3/SnO2 nanocomposites were obtained using a supersonic dispersion method. X-ray diffraction, FT-IR analysis, transmission electron microscopy, TGA/DTA and infrared emissivity test were performed to characterize the resulting nanoparticles and nanocomposites, respectively. The Al2O3/SnO2 co-nanoparticles showed a narrow distribution of size between 20-40 nm and could be uniformly absorbed on the tri-helix scaffolds of the grafted collagen without any aggregation. The nanocomposites possessed better thermal stability and substantially lower infrared emissivity than the grafted collagen and Al2O3/SnO2 co-nanoparticles with an increase of degradation temperature from 39 to 210 ℃ and a decrease of infrared emissivity from 0.850 of the grafted collagen and 0.708 of the Al2O3/SnO2 co-nanoparticles to 0.424, which provided a potential application of the nanocomposites to areas such as photoelectronics.     

关于一种新模型对软件总体可靠度的估计

本文在对文[4]中软件可靠度的估计进行研究的基础上,提出了软件总体可靠性的一个新模型,对软件总体的可靠度进行了讨论,利用点估计方法,得到软件可靠度的点估计值,证明了软件总体失效率λ估计解的唯一性,并对缺陷数进行了估计,从而给出了新模型下软体总体可靠性的估计.     

肉桂醛催化选择加氢反应中双金属的协同效应

对既含有ＣＣ键又含有ＣＯ键的分子,ＣＣ键的选择加氢意义重大［１］．α,β不饱和醛选择加氢成饱和醛就属于此类．钯是已知的可在温和条件下将α,β不饱和醛选择加氢生成饱和醛最有效的催化剂之一．人们曾研究了不同钯化合物催化剂对α,β不饱和醛中ＣＣ的双键选择加...     

Double Diffractive Dissociation Process p + p(p) → Xp + Xp(p) + Π+ + Π- at High Energy and the Pomeron Model of Donnachie-Landshoff

Large p_γ charged pion pair produced in Double Diffractive Dissocjation (DDD) process at high energy is studied with double pomeron (IP) exchange mechanism. Using DonnachieLandshoff pomeron model we have calculated the cross-section of the process at the energy interval from ISR to LHC when the rapidity of the charged pions is approximately equal to zero. It is shown that this process is the favorite in experiments which could effectively be used to examine Donnachie-Landshoff pomeron model and provide a possibility to check the value of the suppression coefficient N².