金属离子与腺嘌呤异构体复合物的稳定性

在B3LYP/6-311++G**//6-31+G*基组水平上结合PCM模型系统的优化了气相和液相环境中14种腺嘌呤异构体与四种金属离子(Na+,K+,Mg2+,Ca2+)形成的132个稳定复合物。通过能量对比,得到了所有复合物异构体在气液两相中的稳定性顺序及不同金属离子与同一异构体形成的复合物的能量排序,首次给出了液相中这些不同金属离子复合物的最稳定结构。结果发现溶剂效应导致了液相中的复合物稳定性顺序与气相中的相比发生了很大变化;同一异构体与不同金属离子形成的复合物其稳定性在排序中也变化很大。对于这些变化,本文分别从金属离子与腺嘌呤的复合物在气相中的结合能(EBE)及在液相中的溶质溶剂相互作用能(Epol)能等方面进行了系统的阐述     

NORMAL GRID RULE FOR HYPERSONIC HEAT FLUX NUMERICAL SIMULATION

采用数值求解雷诺平均Navier-Stokes 方程方法对高超声速钝双锥模型进行了计算,比较了不同法向网格尺度对热流计算的影响,并在此基础上提出了一种适于热流计算的网格准则. 研究表明:在实际外形的热流计算中,使用过密或过粗的法向网格均不利于得到准确的热流数据;采用该文提出的基于当地温度梯度的法向网格尺度准则可以在保证热流计算精度的同时实现较高的收敛速度.     

液相色谱-串联质谱法测定蜂蜜和鱼肉中烟曲霉素残留量

提出了液相色谱串联质谱测定蜂蜜和鱼肉中烟曲霉素残留量的分析方法。蜂蜜样品和鱼肉样品分别用磷酸盐缓冲液和乙腈提取,经Oasis MAX固相萃取柱净化后,在Kinetex C18(2.6μm×2.1 mm×100 mm)反相色谱柱上以乙腈-0.1%甲酸酸水溶液(70+30)为流动相色谱分离,采用电喷雾正离子扫描、多反应监测模式(ESI+-MRM)进行质谱检测,外标法定量。方法的测定下限(10S/N)蜂蜜为2μg/kg,鱼肉为5μg/kg。在2～100μg/L的浓度范围内呈良好线性,线性相关系数>0.9997。方法在3个水平的添加回收率在75.4%～79.6%之间,相对标准偏差在6.4%～8.4%之间。方法适用于蜂产品和鱼肉中烟曲霉素残留的定量及确证检测。     

Performance and early applications of a versatile double aberration-corrected JEOL-2200FS FEG TEM/STEM at Aalto University

Applications relevant to carbon based nano-materials have been explored using a newly installed JEOL-2200FS field emission gun (FEG) (scanning) transmission electron microscope (S)TEM which is integrated with two CEOS aberration correctors for both the TEM image-forming and the STEM probe-forming lenses. The performance and utility of this newly commission hardware has been reviewed with a particular focus on operation at an acceleration voltage of 80 kV, thus bringing the primary electron beam voltage below the knock-on threshold for carbon materials and opening up a range of possibilities for the study of carbon-based nanostructures in the aberration-corrected electron microscope. The ability of the microscope to obtain both atomic TEM images and high-quality electron diffraction patterns from carbon nanotubes was demonstrated. The chiral structure of a double-walled carbon nanotube was determined from its diffraction pattern. The aberration corrected TEM imaging technique facilitates a unique approach to accurate determination of single-walled carbon nanotube diameters. On the other hand, the probe-corrected high angle annular dark field (HAADF) STEM imaging performance allows for the detection of single gold atoms at 80 kV and was used to study the graphite interlayer spacing in a multi-walled carbon nanotube.     

Pareto-Geometric分布

本文提出了一种具有单调失效率的新型寿命分布, 即由Pareto分布和Geometric分布生成的两参数的Pareto-Geometric分布, 研究了该分布的各种性质和参数极大似然估计的存在唯一性, 并应用 EM 算法得到了参数的极大似然估计值和相应的渐近方差、协方差.     

Skew-adjacency matrices of graphs

The spectra of the skew-adjacency matrices of a graph are considered as a possible way to distinguish adjacency cospectral graphs. This leads to the following topics: graphs whose skew-adjacency matrices are all cospectral; relations between the matchings polynomial of a graph and the characteristic polynomials of its adjacency and skew-adjacency matrices; skew-spectral radii and an analogue of the Perron–Frobenius theorem; and, the number of skew-adjacency matrices of a graph with distinct spectra.     

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通过对套铣筒这种特殊结构钻柱的分析,在现有钻柱力学模型研究的基础上,针对 套铣筒结构特点(大筒径、薄壁筒型钻柱),建立套铣筒与井壁接触力学模型,通过分析套铣 管柱在井下屈曲状态以及与井壁接触压力的计算,对套铣筒进行力学分析以及摩阻力计算.     

The Influence of the Renormalization Condition to the Equation of State of the Nuclear Matter

In the relativistic σ-ω model, the influences of the parameters b, c, d in the potential U(σ)=(1/2!)bσ²+(1/3!)cσ³+ (1/4!)dσ⁴ to the incompressibility, effective mass and binding energy of the nuclear matter are studied in detail. The calculation of equation of state of nuclear matter shows that the values of b, c, d depend on the renormalization condition, we also find that a soft equation of state of nuclear matter can be obtained in a suitable renormalization condition, and the experimental incompressibility coefficient can be reproduced. These results are also used to study the thermal properties of hot Δ-resonant nuclear matter.     

利用蒙特卡洛方法计算陶瓷刀具磨损可靠性

在连续切削条件下,陶瓷刀具的失效形式是以磨粒磨损为主的摩损失效,其磨损寿命由材料的断裂韧性、硬度和切削过程的参数决定,利用蒙特卡洛方法分别随机生成断裂韧性与硬度的样本值,利用连续车削试验确定切削过程参数,将得到的样本值与切削参数相结合可计算刀具在相应切削条件下的磨损寿命及其可靠性,计算结果表明：陶瓷刀具的断裂韧对磨损寿命的可靠性影响较为明显,因而可以利用断裂韧性来估算磨损可靠性。     

宇宙核钟

以很长半衰期 ( 4 2× 1 0 9a)的 β-衰变的187Re-187Os核对作为大尺度的宇宙核钟来量度宇宙的年纪 ,是近代天文学与核物理学相结合的又一典范 .这种宇宙时钟是利用裸核187Re与它的衰变子体187Os同位素在共生矿中天然含量的比值来测定时间的 .利用187Re裸核的半衰期通过核物理计算可对中性 187Re的半衰期进行修定.To the great scale of the universe age, 187 Re- 187 Os isotopic pair, which have very long half life, was used as a cosmic nuclear clock of cosmochronometr. It is a typical relationship between modern astronomy and nuclear physics. The neutral isotope abundance ratio of 187 Re over daughter nucleus 187 Os in common growth mineral can be used as the clock to measure the time. After the 75 electrons in all shells of 187 Re were stripped ...