994 resultados para Atomic Displacement Parameters


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Hartree-Fock (HF) calculations have had remarkable success in describing large nuclei at high spin, temperature and deformation. To allow full range of possible deformations, the Skyrme HF equations can be discretized on a three-dimensional mesh. However, such calculations are currently limited by the computational resources provided by traditional supercomputers. To take advantage of recent developments in massively parallel computing technology, we have implemented the LLNL Skyrme-force static and rotational HF codes on Intel's DELTA and GAMMA systems at Caltech.

We decomposed the HF code by assigning a portion of the mesh to each node, with nearest neighbor meshes assigned to nodes connected by communication· channels. This kind of decomposition is well-suited for the DELTA and the GAMMA architecture because the only non-local operations are wave function orthogonalization and the boundary conditions of the Poisson equation for the Coulomb field.

Our first application of the HF code on parallel computers has been the study of identical superdeformed (SD) rotational bands in the Hg region. In the last ten years, many SD rotational bands have been found experimentally. One very surprising feature found in these SD rotational bands is that many pairs of bands in nuclei that differ by one or two mass units have nearly identical deexcitation gamma-ray energies. Our calculations of the five rotational bands in ^(192)Hg and ^(194)Pb show that the filling of specific orbitals can lead to bands with deexcitation gamma-ray energies differing by at most 2 keV in nuclei differing by two mass units and over a range of angular momenta comparable to that observed experimentally. Our calculations of SD rotational bands in the Dy region also show that twinning can be achieved by filling or emptying some specific orbitals.

The interpretation of future precise experiments on atomic parity nonconservation (PNC) in terms of parameters of the Standard Model could be hampered by uncertainties in the atomic and nuclear structure. As a further application of the massively parallel HF calculations, we calculated the proton and neutron densities of the Cesium isotopes from A = 125 to A = 139. Based on our good agreement with experimental charge radii, binding energies, and ground state spins, we conclude that the uncertainties in the ratios of weak charges are less than 10^(-3), comfortably smaller than the anticipated experimental error.

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Several schemes for coherent quantum control of atomic and molecular processes have been proposed and investigated by using the techniques of adiabatic passage and ultrashort pulses, respectively. Some interesting results have been found.

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The photoelectron angular distributions (PADs) from above-threshold ionization of atoms irradiated by one-cycle laser pulses satisfy a scaling law. The scaling law denotes that the main features of the PADs are determined by four dimensionless parameters: (1) the ponderomotive number u(p) = U-p/hw, the ponderomotive energy U-p in units of laser photon energy; (2) the binding number E-b = E-b/h(w), the atomic binding energy E-b in units of laser photon energy; (3) the number of absorbed photons q; (4) the carrier-envelope phase phi(0), the phase of the carrier wave with respect to the envelope. We verify the scaling law by theoretical analysis and numerical calculation, compared to that in long-pulse case. A possible experimental test to verify the scaling law is suggested.

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In this work, the results of numerical simulations of X-ray fluorescence holograms and the reconstructed atomic images for Fe single crystal are given. The influences of the recording angles ranges and the polarization effect on the reconstruction of the atomic images are discussed. The process for removing twin images by multiple energy fluorescence holography and expanding the energy range of the incident X-rays to improve the resolution of the reconstructed images is presented. (c) 2005 Elsevier B.V. All rights reserved.

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By using time-of-flight spectroscopy, the ionization and explosion of large argon clusters ( (n) over bar = 3 x 10(3) - 3 x 10(6)) in the intense femtosecond pulsed laser field (60 fs,2 x 10(16) W/cm(2)) has been studied, and the dependence of average energy of ions emitted from argon clusters on the gas backing pressure has been measured. By comparing the average ion energies obtained with two different supersonic conical nozzles and considering the Hagena's scaling law of clusters, we have found that the average ion energy is determined by the cluster size when the laser parameters are kept unchanged. The experimental results indicated that when the cluster size is less than 3 x 10(5) atoms per cluster, the Coulomb repulsion force is the dominating factor in the expansion mechanism. Beyond this size, for 3 x 10(5) < (n) over barn < 3 x 10(6), the expansion is the result of the combined effect of both the Coulomb repulsion force and the hydrodynamic force, and the latter will play the dominating role for increasing cluster size.

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[EN] This paper is devoted to i, the Basque dative case marker. In part I, the paper aims at presenting a general approach the locus of syntactic variation within Universal Grammar (sections 1.1 to 1.3). After an excursus on the use of minorized languages in science (1.4), a discussion on parameters is provided. In (1.5), the notion of macroparameter from the 80’s is critically discussed mainly but not along the lines of Newmeyer (2005). The last section (1.6)supports to focus on microparameters, along the lines of Kayne (2000, 2005), as the right way to properly understand and explain variation. Part II provides an analysis of the main properties of Basque datives (sections 2.1 and 2.2). Sections 2.3 and 2.4 are devoted to the nature of Basque inflectional morpheme (k)i, interpreted asan applicative morpheme which ‘applies’ dative object arguments to the structure. Finally, microcomparative analyses on Basque Differential Object Marking and Dative Displacement are presented in sections (2.6) and (2.7) respectively.

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利用强激光场电离和离解分子来研究分子激发态的波包结构是强场物理的重要研究方向。利用短时指数传播子对称分割法和快速傅里叶变换技术。数值求解了一维含时Schr(oe)dinger方程,探讨了双色激光场中激光的基波和谐波强度之间的不同配比以及脉宽对线性多原子分子离子电离的影响。理论计算结果表明:基波和谐波的相对相位为π时,尽管随着激光的基波和谐波强度之间配比的变化,电离几率随原子间距变化的趋势基本保持不变,但在一定的激光基波强度下(1.2×10^13~1.2×10^15W/cm^2),激光基波强度的变化可以明显

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By solving numerically the full Maxwell-Bloch equations without the slowly varying envelope approximation and the rotating-wave approximation, we investigate the effects of Lorentz local field correction (LFC) on the propagation properties of few-cycle laser pulse in a dense A-type three-level atomic medium. We find that: when the area of the input pulse is larger, split of pulse occurs and the number of the sub-pulses with LFC is larger than that without LFC; at the same distance, the time interval between the first sub-pulse and the second sub-pulse in the case without LFC is longer than that with LFC, the time of pulse appearing in the case without LFC is later than that in the case with LFC, and the two phenomena are more obvious with propagation distance increasing; time evolution rules of the populations of levels vertical bar 1 >, vertical bar 2 > and vertical bar 3 > in the two cases with and without LFC are much different. When the area of the input pulse is smaller, effects of LFC on time evolutions of the pulse and populations are remarkably smaller than those in the case of larger area pulse. (c) 2008 Elsevier B.V. All rights reserved.

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The effect of physico-chemical parameters and plankton composition on fish production in ponds was investigated in six fish farms for eight weeks. The physicochemical parameters investigated were temperature=25-30 plus or minus C, transparency=0.45-0.57m, dissolved oxygen=3.0-10.9mg/l, pH=6.0-7.7, dissolved carbon dioxide=5.46-28.3mg/l, total alkalinity=44.37-80.0ppm, chemical oxygen demand=31.88-72.18mg/l and biological oxygen demand=0.66-48.34mg/l. Plankton composition varies and was made of four families of phytoplankton namely; Cyanophyceae, Chlorophyceae, Dinophyceae and Diatomida; and four families of zooplankton viz; Protozoa, Rotifera, Copepoda and Dinoflagellates. Farm 1 and 6 recorded the highest average weight of about 1.0kg and average total length of about 40.0cm for the two fish species. This study showed that fish yield was dependable on the quality and management of pond water characteristics

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We investigate the Kerr nonlinearity of a V-type three-level atomic system where the upper two states decay outside to another state and hence spontaneous generated coherence may exist. It is shown that dark state and hence perfect transparency present under certain conditions. Meanwhile, the Kerr nonlinearity can be controlled by manipulation of the decay rates and the splitting of the two excited states. Therefore, enhanced Kerr nonlinearity without absorption can be obtained under proper parameters.

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分析了四能级原子系统中左手材料的克尔非线性特性。研究表明,由于量子干涉作用,选择合适的物理参数,可以在这种负折射原子介质中获得无吸收增强的克尔非线性。这种介质不但表现出很强的克尔非线性而且还可以起到相位补偿和振幅补偿的作用。

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The effect of physico-chemical parameters and plankton composition on fish production in ponds was investigated in six fish farms for eight weeks. The physicochemical parameters investigated were temperature=25-30 plus or minus C, transparency=0.45-0.57m, dissolved oxygen=3.0-10.9mg/l, pH=6.0-7.7, dissolved carbon dioxide=5.46-28.3mg/l, total alkalinity=44.37-80.0ppm, chemical oxygen demand=31.88-72.18mg/l and biological oxygen demand=0.66-48.34mg/l. Plankton composition varies and was made of four families of phytoplankton namely: Cyanophyceae, Chlorophyceae, Dinophyceae and Diatomida; and four families of zooplankton viz: Protozoa, Rotifera, Copepoda and Dinoflagellates. Farm 1 and 6 recorded the highest average weight of about 1.0kg and average total length of about 40.0cm for the two fish species. This study showed that fish yield was dependable on the quality and management of pond water characteristics