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1.
Ab initio study of structural,electronic,thermo-elastic and optical properties of Pt3Zr intermetallic compound 下载免费PDF全文
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. 相似文献
2.
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。 相似文献
3.
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. 相似文献
4.
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· 相似文献
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6.
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. 相似文献
7.
Arif Rafiq Nazir Ahmad Mir Farooq Ahmad 《应用数学和力学(英文版)》2007,28(7):901-906
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. 相似文献
8.
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. 相似文献
9.
提出了一种结合摄动法和L1正则化方法的随机梁式结构静力损伤识别方法。考虑初始模型误差和测量误差的影响,建立了关于随机损伤指数的控制方程,并将摄动法和L1正则化方法相结合,对随机损伤指数的控制方程进行求解,进而从概率的角度对结构的损伤进行识别。损伤试验结果表明,和传统的最小二乘求解法相比,本文方法能够更为准确地识别多处局部损伤的位置及大小,对实际结构损伤检测具有较好的参考价值。 相似文献
10.
为了减小常规L波段高功率微波测量接收天线的结构尺寸及增益,设计了一种基于轴向缝隙馈电的小型化同轴扩张型天线.通过理论分析和数值模拟,选择了较优的结构尺寸,得到天线的增益及方向图特性:在1.3~1.6 GHz范围内,增益从-2.0 dBi变化至0.8 dBi;天线最大辐射方向在物理结构轴向.基于矢量网络分析仪E8362B的天线特性测量结果与数值计算结果基本一致:工作频率从1 3~1 6GHz变化时,增益从-2.3 dBi变化至1.2 dBi;E面方向图主瓣宽度大于 60°,轴向轴比大于35dB,结果表明设计的天线能够满足L波段高功率微波渊量天线低增益小型化要求. 相似文献