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61.
Bergkvist S Rosengren A Saers R Lundh E Rehn M Kastberg A 《Physical review letters》2007,99(11):110401
A two-dimensional system of atoms in an anisotropic optical lattice is studied theoretically. If the system is finite in one direction, it is shown to exhibit a transition between a two-dimensional superfluid and a one-dimensional Mott insulating chain of superfluid tubes. Monte Carlo simulations are consistent with the expectation that the phase transition is of Kosterlitz-Thouless type. The effect of the transition on experimental time-of-flight images is discussed. 相似文献
62.
Kristoffersen A 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2007,187(2):293-305
The magnitude operation changes the signal distribution in MRI images from Gaussian to Rician. This introduces a bias that must be taken into account when estimating the apparent diffusion coefficient. Several estimators are known in the literature. In the present paper, two novel schemes are proposed. Both are based on simple least squares fitting of the measured signal, either to the median (MD) or to the maximum probability (MP) value of the Probability Density Function (PDF). Fitting to the mean (MN) or a high signal-to-noise ratio approximation to the mean (HS) is also possible. Special attention is paid to the case of averaged magnitude images. The PDF, which cannot be expressed in closed form, is analyzed numerically. A scheme for performing maximum likelihood (ML) estimation from averaged magnitude images is proposed. The performance of several estimators is evaluated by Monte Carlo (MC) simulations. We focus on typical clinical situations, where the number of acquisitions is limited. For non-averaged data the optimal choice is found to be MP or HS, whereas uncorrected schemes and the power image (PI) method should be avoided. For averaged data MD and ML perform equally well, whereas uncorrected schemes and HS are inadequate. MD provides easier implementation and higher computational efficiency than ML. Unbiased estimation of the diffusion coefficient allows high resolution diffusion tensor imaging (DTI) and may therefore help solving the problem of crossing fibers encountered in white matter tractography. 相似文献
63.
A novel magnetic resonance imaging approach, called diffusion-direction-dependent imaging (DDI), is introduced. Due to inherent anisotropic diffusion properties, peripheral nerves can be visualized on diffusion tensor imaging (DTI). The largest signal attenuation on DTI correlates with the direction of a nerve fiber, and the least signal attenuation correlates with the direction perpendicular to the nerve fiber. Since low signal-to-noise ratio is a concern in peripheral nerve DTI, we explored a new approach focusing on the perpendicular diffusion direction. A 36-gradient diffusion direction scheme was used. A mean expected curve specific for peripheral nerves was calculated based on the sciatic nerve and its division into the common peroneal nerve and the tibial nerve in three healthy volunteers. By a simple postprocessing method, a comparison of the mean expected curve and the measured curve was made voxel by voxel, and the sciatic nerve and its division were reconstructed, excluding other tissues. More studies are needed to investigate whether other postprocessing methods or other diffusion direction schemes are more suited for peripheral nerve imaging with DDI. Further studies may also be of interest to investigate whether DDI can be a complementary method to conventional T(1)-weighted and T(2)-weighted sequences in the imaging of peripheral nerve pathology or even in the visualization of other tissues, possibly with different diffusion direction schemes. 相似文献
64.
运用多重态计算方法研究了在正八面体对称性的晶体场中Co2+离子的2p电子X射线L2,3吸收边光谱, 研究了Co2+离子和周围的配位离子之间的正八面体(Oh)晶体场效应和相应的电荷转移效应对于吸收光谱的影响. 系统讨论了在多重态计算中起作用的所有物理参数对CoO和CoCl2的X射线吸收光谱特性的特定影响及其物理机制. 将计算得出的光谱数据和同样具有Oh对称性结构Co2+离子的CoO和CoCl2实验光谱数据进行了对比, 在实验光谱数据中发现的特征被确定为来自不同自旋态, 并且光谱强度的变化与晶体场的强度相关, 揭示了其中包含的电荷转移效应. 本文为低对称性复杂系统的多重态计算提供了一个基础的参考标准, 可以适用于含有钴元素或其它过渡金属的复杂体系的X射线吸收光谱的理论计算. 相似文献
65.
Mono‐ and Bis(pyrrolo)tetrathiafulvalene Derivatives Tethered to C60: Synthesis,Photophysical Studies,and Self‐Assembled Monolayers 下载免费PDF全文
Dr. Marta Vico Solano Dr. Eduardo Antonio Della Pia Dr. Martyn Jevric Christina Schubert Xintai Wang Dr. Cornelia van der Pol Prof. Dr. Anders Kadziola Prof. Dr. Kasper Nørgaard Prof. Dr. Dirk M. Guldi Prof. Dr. Mogens Brøndsted Nielsen Prof. Dr. Jan O. Jeppesen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(32):9918-9929
A series of mono‐ (MPTTF) and bis(pyrrolo)tetrathiafulvalene (BPTTF) derivatives tethered to one or two C60 moieties was synthesized and characterized. The synthetic strategy for these dumbbell‐shaped compounds was based on a 1,3‐dipolar cycloaddition reaction between aldehyde‐functionalized MPTTF/BPTTF derivatives, two different tailor‐made amino acids, and C60. Electronic communication between the MPTTF/BPTTF units and the C60 moieties was studied by a variety of techniques including cyclic voltammetry and absorption spectroscopy. These solution‐based studies indicated no observable electronic communication between the MPTTF/BPTTF units and the C60 moieties. In addition, femtosecond and nanosecond transient absorption spectroscopy revealed, rather surprisingly, that no charge transfer from the MPTTF/BPTTF units to the C60 moieties takes place on excitation of the fullerene moiety. Finally, it was shown that the MPTTF–C60 and C60–BPTTF‐C60 dyad and triad molecules formed self‐assembled monolayers on a Au(111) surface by anchoring to C60. 相似文献
66.
Anders Broo 《International journal of quantum chemistry》1996,60(7):1331-1343
An extensive investigation of the basis-set effect on the predicted geometry of the redox pair [Ru(NH3)6]2+/3+ is presented. Basis sets where the core electrons have been replaced with a relativistic core potential as well as all-electron basis sets were tested. Best agreement with observations was obtained with the all-electron basis set MIDI augmented with a set of f-type polarization functions on the metal center. Other properties such as the vibration spectrum, the relative energy of the high-spin and low-spin states, and geometry changes upon oxidation/reduction of the central metal are discussed. The importance of electron correlation on the predicted geometry was estimated at the MP2, MP3, MP4(SDQ), CCSD, and CCSD(T) levels of theory. The MIDI(f) basis set is then used for other octahedral second-row transition-metal complexes and some other related complexes. The electronic spectrum of [Ru(NH3)6]2+ is also calculated using two different CI computational schemes. Surprisingly good agreement between the predicted electronic spectrum and the observed spectrum are obtained using one of the CI computational schemes. © 1996 John Wiley & Sons, Inc. 相似文献
67.
A low-temperature spray deposition synthesis was developed to prepare locally hexagonally ordered mesoporous titania films with polycrystalline anatase pore walls in an evaporation-induced self-assembly process. The titania film preparation procedure is conducted completely at temperatures below 50 °C. The effects of spray time, film thickness, synthesis time prior to spray deposition, and aging time at high relative humidity after deposition on the atomic arrangement and the mesoorder of the mesoporous titania were studied. We find the crystallite size to depend on both the synthesis time and aging time of the films, where longer times result in larger crystallites. Using the photocatalytic activity of titania, the structure-directing agent is removed with UV radiation at 43–46 °C. The capability of the prepared films to remove the polymer template increased with longer synthesis and aging times due to the increased crystallinity, which increases the photocatalytic efficiency of the titania films. However, with increasingly longer times, the crystallites grow too large for the mesoorder of the pores to be maintained. This work shows that a scalable spray coating method can be used to prepare locally ordered mesoporous polycrystalline titania films by judiciously tuning the synthesis parameters. 相似文献
68.
69.
Harry J. Whitlow Margaretha Andersson Mikael Hult Leif Persson Mohamed El Bouanani Mikael Östling Carina Zaring Nils Lundberg David D. Cohen Nick Dytlewski Peter N. Johnston Ian F. Bubb Scott R. Walker Erik Johanson Sture Hogmark P. Anders Ingemarsson 《Mikrochimica acta》1995,120(1-4):171-181
Recoil Spectrometry covers a group of techniques that are very similar to the well known Rutherford backscattering Spectrometry technique, but with the important difference that one measures the recoiling target atom rather than the projectile ion. This makes it possible to determine both the identity of the recoil and its depth of origin from its energy and velocity, using a suitable detector system. The incident ion is typically high-energy (30–100MeV)35C1,81Br or127I. Low concentrations of light elements such as C, O and N can be profiled in a heavy matrix such as Fe or GaAs. Here we present an overview of mass and energy dispersive recoil Spectrometry and illustrate its successful use in some typical applications. 相似文献
70.