Ab initio study of structural,electronic,thermo-elastic and optical properties of Pt3Zr intermetallic compound

Structural,elastic,electronic and optical properties of the Pt3Zr intermetallic compound are investigated using first principles calculations based on the density functional theory(DFT)within the generalized gradient approximation(GGA)and the local density approximation(LDA).The Pt3Zr compound is predicted to be of cubic L12 and hexagonal D024 structures.The calculated equilibrium ground-state properties(lattice parameters a and c,bulk modulus B and its pressure derivative B',formation enthalpy ΔH)of the Pt3Zr compound,for both cubic and hexagonal phases,show good agreement with the experimental results and other theoretical data.Elastic constants(C11,C12,C13,C33,C44,and C55)are calculated.The predicted elastic properties such as Young's modulus E and shear modulus GH,Poisson ratioν,anisotropic ratio A,Kleinman parameter ξ,Cauchy pressure(C12-C44),ratios B/C44 and B/G,and Vickers hardness Hv indicate the stiffness,hardness and ductility of the compound.Thermal characteristic parameters such as Debye temperature θD and melting temperature Tm are computed.Electronic properties such as density of states(DOS)and electronic specific heat γ are also reported.The calculated results reveal that the Fermi level is on the psedogap for the D024 structure and on the antibonding side for the L12 structure.The optical property functions(real partε1(ω)and imaginary part ε2(ω)of dielectric function),optical conductivity σ(ω),refraction index n(ω),reflectivity R(ω),absorption α(ω)and extinction coefficients k(ω)and loss function L(ω)are also investigated for the first time for Pt3Zr in a large gamme of energy from 0 to 70 eV.     

X射线荧光光谱扩展基本参数法测定不锈钢中的多种成分

针对多种类不锈钢多元素成分解析问题,应用X射线荧光光谱分析软件UniQuant,采用扩展基本参数法对多元不锈钢、双相不锈钢进行光谱干扰校正和基体校正,重新设定和优化多元不锈钢基体元素的测试条件,计算背景因子、杂质因子、谱线灵敏度系数和光谱重叠系数,测定Si、Mn、S、P、Ni、Cr、Cu、Mo、V、Al、Ti、Nb、Co、Ta、Fe的相对标准偏差在0.04%~3.8%,Ca、Zr、W、As、Sb、Sn的相对标准偏差在5.4%~20.3%,未知样品检测值与认定值比对结果相当理想,Ni、Cr的平均偏差小于0.05%,可以用很少标准样品实现各类型不锈钢多元素成分准确检测,检测范围宽,适用性好。     

统计模型在中文文本挖掘中的应用

本文讨论了中文文本挖掘的三个问题:分词、关键词提取和文本分类。对分词问题,介绍了基于层叠隐马尔可夫模型的ICTCLAS分词法,以及将词与词之间的分隔视为缺失数据并用EM算法求解的WDM方法;对关键词提取问题,提出了贝叶斯因子法,并介绍了使用稀疏回归的CCS方法;对文本分类问题,介绍了根据关键词频率建立分类器的方法,以及先建立主题模型再根据主题概率建立分类器的方法。本文通过两组文本数据对上述方法进行比较,并给出使用建议。     

Option Pricing and Hedging under a Markov Switching Lévy Process Model

In this paper,we consider a Markov switching Lévy process model in which the underlying risky assets are driven by the stochastic exponential of Markov switching Lévy process and then apply the model to option pricing and hedging.In this model,the market interest rate,the volatility of the underlying risky assets and the N-state compensator,depend on unobservable states of the economy which are modeled by a continuous-time Hidden Markov process.We use the MEMM(minimal entropy martingale measure) as the equivalent martingale measure.The option price using this model is obtained by the Fourier transform method.We obtain a closed-form solution for the hedge ratio by applying the local risk minimizing hedging.     

硼-10富集硼烷Lewis碱加合物的合成

天然硼中主要含有两种稳定同位素,即硼-10和硼-11,丰度分别为19.78%和80.22%.其中,富集的硼-10同位素在核工业以及放射治疗癌症等方面有重要应用.因此,硼-10富集含硼化合物的合成具有重要的研究意义.硼烷类化合物是合成这类化合物的主要起始原料,但是目前合成硼-10富集硼烷化合物的方法还比较少.以商业可得的硼-10富集硼酸为起始原料,首先采用改进的文献方法合成了硼-10富集的Na¹⁰BH₄,Na¹⁰BH₄与碘单质反应生成乙硼烷(¹⁰B₂H₆)然后,乙硼烷与各种Lewis碱进行配位,得到了一系列硼-10富集的硼烷Lewis碱加合物,包括四氢呋喃硼烷(THF·¹⁰BH₃)、二甲基硫醚硼烷(DMS·¹⁰BH₃)、N,N-二甲基苯胺硼烷(DMA·¹⁰BH₃)、氨硼烷(NH₃·     

Isolation and Crystal Structure of Ent-kaurane Diterpenes from Rubus corchorifolius L. f.

In this study, ent-Kaurane-3β,16β,17-triol(1) and ent-kaurane-2α,16β,17-triol(2), were isolated from the leaves of Rubus corchorifolius L. f. Their structures were elucidated based on extensive spectroscopic analysis. NMR experiments identified the two compounds and X-ray crystallographic analysis confirmed their crystal structures. The crystal of 1 belongs to monoclinic with space group P21 and a = 10.7641(3), b = 7.2789(3), c = 11.7862(4) , β = 95.275(3)°, V = 919.55(6) 3, Z = 2, C20H34O4, Mr = 322.49 g/mol, Dc = 1.230 g/m3, F(000) = 376, λ = 1.54178 , μ = 0.661 mm-1, R = 0.0319, and wR = 0.0811 for 10889 observed reflections(Ⅰ 2σ(Ⅰ)). The crystal of 2 is classified as orthorhombic with space group P212121 and a = 10.7641(3), b = 12.72224(19), c = 21.3929(3) , V = 1748.94(4) 3, Z = 4, C20H34O4, Mr = 322.47, Dc = 1.225 Mg/m3 F(000) = 712, λ = 1.54184 , μ = 0.625 mm-1, R = 0.0303 and w R = 0.0759 for 10470 observed reflections(Ⅰ 2σ(Ⅰ)). Meanwhile, the compound revealed low inhibitory activities toward Hep G2, MCF-7, and SCG-7901 cells.     

Weighted Cebysev-Ostrowski type inequalities

In account of the famous Cebysev inequality, a rich theory has appeared in the literature. We establish some new weighted Cebysev type integral inequalities. Our proofs are of independent interest and provide new estimates on these types of inequalities.     

Distribution function estimates by Wasserstein metric and Bernstein approximation for C-1 functions

The aim of the paper is to estimate the density functions or distribution functions measured by Wasserstein metric, a typical kind of statistical distances, which is usually required in the statistical learningBased on the classical Bernstein approximation, a scheme is presented.To get the error estimates of the scheme, the problem turns to estimating the L1 norm of the Bernstein approximation for monotone C-1functions, which was rarely discussed in the classical approximation theoryFinally, we get a probability estimate by the statistical distance.     

奥氏体不锈钢深冷低温冲击试验方法研究

以液氦作为冷源,结合G-M低温制冷机,实现-196~-269℃深冷温度环境,探索深冷低温冲击试验方法。结果表明,试样从低温环境中取出后置于大气环境中,温度出现快速回升。对于不同试验低温,可采用不同方法进行试验。试验温度T=4.2K时,可采用制冷机预冷+液氦持续喷淋的方法进行降温。试验温度10≤T77K时,可采用玻璃容器填充气凝胶粉体对试样进行绝热保温处理;或根据试验温度以及回温测试结果,以一定的过冷温度补偿值保证试验温度。过冷温度补偿方法可满足常规冲击试验的要求,但需要相对较大的过冷温度补偿值;玻璃容器填充粉体包裹试样,可减缓试样温度回升,但对材料冲击吸收能量有一定影响,可用多试样冲击试验并进行修正以反映材料冲击韧性水平。     

金属蒸气真空弧离子源CO离子注入对不锈钢摩擦磨损性能的影响

采用金属蒸气真空弧离子源对1Cr18Ni9Ti不锈钢进行Co离子注入,考察了注入处理试样的摩擦磨损性能.结果表明:Co注入处理样品的表面硬度比未注入样品的高1.0～1.5倍,且硬度随离子束流密度的增大而增大;Co注入处理试样的摩擦系数显著降低至约0.20,磨损体积损失降低25%～45%;当束流密度为22μA/cm2、注入剂量为5×1017/cm2时,注入处理样品的摩擦系数为0.19,耐磨寿命最长;在所选定的试验参数范围以内,当临界束流密度处于22μA/cm2时,保留剂量最大,改性表面硬度最高,耐磨性能最佳.