35 resultados para Radial Distribution Functions


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This paper presents exact density, velocity and temperature solutions for two problems of collisionless gas flows around a flat plate or a spherical object. At any point off the object, the local velocity distribution function consists of two pieces of Maxwellian distributions: one for the free stream which is characterized by free stream density, temperature and average velocity, n0, T0, U0; and the other is for the wall and it is characterized by density at wall and wall temperature, nw,Tw. Directly integrating the distribution functions leads to complex but exact flowfield solutions. To validate these solutions, we perform numerical simulations with the direct simulation Monte Carlo (DSMC) method. In general, the analytical and numerical results are virtually identical. The evaluation of these analytical solutions only requires less than one minute while the DSMC simulations require several days.

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采用提拉法生长了质量优异的Yb:Ca5(PO4)2F(Yb:FAP)晶体。运用化学腐蚀,光学显微镜、扫描电子显微镜以及能量散射光谱仪观察了该晶体中的生长条纹和包裹物等宏观缺陷,以及晶体的位错腐蚀形貌、位错密度及其分布情况,同时观察了晶体中亚晶界的形态。由晶体中位错的径向变化以及生长条纹可知:晶体在生长过程中为微凸界面生长。高温下CaF2的挥发造成了在晶体生长后期熔体中组分偏离化学计量比,出现组分过冷,形成包裹物。且位错密度显著增加。Yb:FAP晶体的各向异性使得晶体在(10 10)面的位错蚀坑形状、大小以

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提出从微观的角度,借助计算机工具,将薄膜破坏发展的细节展现出来的分子动力学研究的思想。使得实验上难以观察的现象变得形象而便于理解。应用分子动力学理论,使用伦纳德琼斯势函数,采用预校正积分法和虚拟外力约束标定方法,模拟薄膜体系的传热系数受体系的密度、温度的影响,同时结合体系粒子的径向分布函数和长程分布函数分析了相应的系统结构特性。另外,采用不同的模拟尺寸获得了低维材料所特有的“高温尺寸效应”。结果显示,导热系数随密度的增加变大,随温度的上升而变大。这些数据现有测量手段是难以得到的,这类模拟可以为研究提供一些

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根系分布影响着土壤水分养分吸收,实测根系分布费时费力,经验根系分布函数参数简单,应用方便。该研究在田间采用苜蓿栽培土柱试验,测定根系分布,并将其和不同经验根系分布函数分别应用于Hydrus-1D对土壤水分进行动态模拟,通过土壤水分实测值和模拟值比较,验证分析了经验根系分布函数的适用性以及对土壤水分动态变化的影响。结果表明:拟合的根系分布、Prasad分布、Hoffman和van Genuchten分布3种根系分布函数的根长密度模拟值与36cm以下的根长密度实测值较为吻合,Raats根系分布模拟值与实测值及其他分布函数则差别较大。不同根系分布下土壤水分模拟差别不大,平均相对均方根误差在3.5%以下。非胁迫生长条件下,Prasad根系分布、Hoffman和vanGenuchten根系分布都可描述紫花苜蓿实际根系分布状况。

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The electronic and the magnetic structure of the Nd2Fe17N1 phase in the family of Nd-Fe-N ternary compounds have been calculated using the first-principles, spin-polarized orthogonalized linear-combination-of-atomic-orbitals method. Results are presented in the form of site-decomposed and spin-projected partial density of states. The occupation sites of the three N atoms are determined by an average radial distribution of all possible N site configurations. Both cases of N occupying the 3b and the 18g sites are studied. The results indicate that the 6c Fe sites have the maximum and the 18h Fe sites have the minimum local moments. This is in good agreement with experiment. It is concluded that the influence on the local moment due to lattice expansion is less important compared to that due to interatomic interaction between the N atom and its neighbors. The results also show the important role of N atoms in raising the Curie temperature of this compound.

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Molecular dynamics is applied to the system of polystyrene-block-poly(methyl methacrylate). The simulation shows that for the block copolymer system, a layered structure, which reflects microphase separation, is obtained and this structure is stable. In order to elucidate that the formation of the layered structure is reasonable, some static properties such as the radial distribution function and the dipole moment are analyzed in some detail.

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Radial distribution function of CaCl2-KCl (1:2 mol) melt was measured by X-ray scattering of high temperature liquid. The nearest neighbour distances of Ca2+-Cl-, K+-Cl- and Cl--Cl- ionic pairs are 0.278, 0.306 and 0.380 nm, respectively, Discussion on the relation between structure and physicochemical properties in the melt was simply done in this paper.

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That the dodecahedral water cluster (DWC) can adsorb dissolved methane molecules, an important phenomenon related to the hydrate nucleation study, has been observed through molecular dynamics simulations, but it has not been explained satisfactorily [Guang-Jun Guo; Yi-Gang Zhang; Hua Liu. J. Phys. Chem. C, 2007, 111, 2595]. In order to explain this phenomenon by using the potential of mean force (PMF) between the DWC and the dissolved methane, we perform several series of constrained molecular dynamics simulations in the methane-water system. The distance between the center of DWC and the methane molecule is constrained from 5 Å to 18 Å by adding 0.2 Å every time. For each fixed distance, we perform 20 independent simulations to improve the statistical precision. We first get the constraint force between the DWC and the dissolved methane in each simulation and then calculate the PMF by integrating these forces. Subsequently, the radial distribution function (RDF) is obtained from the PMF through an equation of statistical mechanics. The results show that the RDF has a sharp peak at about 6.2 Å, successfully explaining why the DWC adsorbs dissolved methane molecules. The preferential binding coefficient is a positive value (=2.05±0.5), indicates that the DWC tends to adsorb dissolved methane rather than water molecules in methane aqueous solutions. The curve of PMF for the DWC encaging a methane almost coincides that for the empty DWC, meaning that it is the DWC rather than the encaged methane who could adsorb dissolved methane molecules. By comparing the curves of PMF for different directions of the DWC relative to the dissolved methane, we find that it is the cage face rather than the cage edge or vertex that plays an essential role when the DWC adsorbing dissolved methane. This research sheds light on the driving force for the methane adsorption, and it is helpful in understanding the nucleation process of methane hydrate.

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The thermodynamical model of intermittency in fully developed turbulence due to Castaing (B. Castaing, J. Phys. II France 6 (1996) 105) is investigated and compared with the log-Poisson model (Z-S, She, E. Leveque, Phys. Rev. Lett. 72 (1994) 336). It is shown that the thermodynamical model obeys general scaling laws and corresponds to the degenerate class of scale-invariant statistics. We also find that its structure function shapes have physical behaviors similar to the log-Poisson's one. The only difference between them lies in the convergence of the log-Poisson's structure functions and divergence of the thermodynamical one. As far as the comparison with experiments on intermittency is concerned, they are indifferent.

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The elastic plane problem of a rigid co-circular arc inclusion under arbitrary loads is dealt with. Applying Schwarz's reflection principle integrated with the analysis of the singularity of complex stress functions, the general solution of the problem is found and several closed-form solutions to some problems of practical importance are given. Finally, the stress distribution at the arc inclusion end is examined and a comparison is made with that of the rigid line inclusion end to show the effect of curvature.

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In this paper an electrically controllable radial birefringent pupil filter is proposed. It consists of two polarizers and an improved electrically controllable optical azimuth rotator which has two lambda/4 retarders, one electro-optical crystal and one radial birefringent crystal. The evolution and distribution of polarization states of this pupil filter are discussed. The most interesting and useful advantage of such a structure is that the characteristic of transverse superresolution and axial extended focal depth or focal shift can be obtained merely by controlling the applied voltage on the electro-optical crystal. The radial birefringent crystal azimuth angle cooperating with different electrical inductive phase differences will determine the transverse and axial intensity distribution. It is shown that for particular ranges of electrical inductive phase difference it is possible to obtain transverse superresolution along with extended focal depth or with a focal shift.

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Reshaping of a Gaussian laser beam into a uniform or other intensity distribution is required for various applications. The laser beam shaping system with a radial birefringent filter is presented in this paper. With such a system the Gaussian beams can be transformed into uniform or annular beams. The theory and simulation of the proposed systems are described in detail. The primary advantage of such a system is that the out beam pro. le can be tunable with the rotation of the radial birefringent element.

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An analytical expression of a radial laser array for flat-topped beam is derived based on the generalized Collins formula. The intensity distribution of the resulting beam focused by a lens at the focus plane, for phase-locked and nonphase-locked cases, is studied numerically. The effect of the Fresnel number and normalized radius on intensity distribution for phase-locked and nonphase-locked cases is also presented. It is found that intensity distribution for nonphase-locked case is much less sensible to the Fresnel number and normalized radius than that of phase-locked case. (C) 2008 Elsevier Ltd. All rights reserved.

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Anterior gradient 2 (Agr2) genes encode secretory proteins, and play significant roles in anterior-posterior patterning and tumor metastasis. Agr2 transcripts were shown to display quite diverse tissue distribution in different species, and little was known about the cellular localization of Agr2 proteins. In this study, we identified an Agr2 homologue from gibe[ carp (Carassius auratus gibelio), and revealed the expression patterns and cellular localization during embryogenesis and in adult tissues. The full-length cDNA of CagAgr2 is 803 nucleotides (nt) with an open reading frame of 510 nt encoding 169 amino acids. The Agr2 C-terminus matches to the class I PDZ-interacting motif, suggesting that it might be a PDZ-binding protein. During embryogenesis, CagAgr2 was found to be transcribed in the mucus-secreting hatching gland from tailbud stage and later in the pharynx region, swim bladder and pronephric duct as revealed by RT-PCR and whole mount in situ hybridization. In the adult fish, its transcription was predominantly confined to the kidney, and lower transcription levels were also found in the intestine, ovary and gills. To further localize the Agr2 protein, the anti-CagAgr2 polyclonal antibody was produced and used for immunofluorescence observation. In agreement with mRNA expression data, the Agr2 protein was localized in the pronephric duct of 3dph larvae. In adult fish, Agr2 protein expression is confined to the renal collecting system with asymmetric distribution along the apical-basolateral axis. The data provided suggestive evidence that fish Agr2 might be involved in differentiation and secretory functions of kidney epithelium. (C) 2009 Elsevier Inc. All rights reserved.

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Invasive alien species have become one of the most serious environmental issues in the world. Data of taxon, origin, pathway, and environmental impacts of invasive alien microorganisms, invertebrates, amphibians and reptiles, fish, birds, mammals, herbs, trees, and, marine organisms in terrestrial, aquatic, and marine ecosystems of China were analyzed during 2001 and 2003, based on literature retrieval and field survey. There were 283 invasive alien species in China, and the number of species of invasive alien microorganisms, aquatic plants, terrestrial plants, aquatic invertebrates, terrestrial invertebrates, amphibians and reptiles, fish, and mammals were 19, 18, 170, 25, 33, 3, 10, and 5, respectively. The proportion of invasive alien species originated from America, Europe, Asia, Africa, and Oceania were 55.1, 21.7, 9.9, 8.1, and 0.6%, respectively. Methods for estimation of direct economic losses to agriculture, forestry, stockbreeding, fishery, road and water transportation, storage, water conservancy, environment and public facilities, and human health were established. Methods for estimation of indirect economic losses caused by invasive alien species to service functions of forest ecosystems, agricultural ecosystems, grassland ecosystems, and wetland ecosystems were also established. The total economic losses caused by invasive alien species to China were to the time of USD 14.45 billion, with direct and indirect economic losses accounting for 16.59% and 83.41% of total economic losses, respectively.