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991.
992.
Katsufumi Hashimoto Jií íek Josef Paldus 《International journal of quantum chemistry》1988,34(5):407-415
The ground state energies of finite Hubbard molecules are calculated by numerically solving the Lieb–Wu equations for a complex Hubbard repulsion parameter U. From the positions of the singular points located in the complex plane, the radii of convergence of the perturbation expansions for the ground state energies are determined. 相似文献
993.
994.
995.
Abdillah Sani Bin Mohd Najib Xiaobo Peng Ayako Hashimoto Shusaku Shoji Takayuki Iida Yunxing Bai Hideki Abe 《化学:亚洲杂志》2019,14(16):2802-2805
Mesoporous precious metals with abundant active sites and high surface area have been widely recognized as high‐performance catalytic materials. However, the templated synthesis is complex and costly. Herein, we report a mesoporous rhodium (m‐Rh) that can be readily synthesized from entangled nanofibres of Rh and Y2O3 without templates. The entangled nanofibres, prepared from uniform Rh‐Y alloys under redox atmosphere, were the key precursor in the synthesis processes. Moreover, the m‐Rh efficiently catalyzed carbon dioxide reforming of methane (DRM) at a low reaction temperature of 683 K. Further, electrochemical methods of CO electro‐oxidation were innovatively used to demonstrate the stability of CO and oxygen species for the DRM reaction. 相似文献
996.
A protocol for searching the most probable phase‐retrieved maps in coherent X‐ray diffraction imaging by exploiting the relationship between convergence of the retrieved phase and success of calculation 下载免费PDF全文
Yuki Sekiguchi Saki Hashimoto Amane Kobayashi Tomotaka Oroguchi Masayoshi Nakasako 《Journal of synchrotron radiation》2017,24(5):1024-1038
Coherent X‐ray diffraction imaging (CXDI) is a technique for visualizing the structures of non‐crystalline particles with size in the submicrometer to micrometer range in material sciences and biology. In the structural analysis of CXDI, the electron density map of a specimen particle projected along the direction of the incident X‐rays can be reconstructed only from the diffraction pattern by using phase‐retrieval (PR) algorithms. However, in practice, the reconstruction, relying entirely on the computational procedure, sometimes fails because diffraction patterns miss the data in small‐angle regions owing to the beam stop and saturation of the detector pixels, and are modified by Poisson noise in X‐ray detection. To date, X‐ray free‐electron lasers have allowed us to collect a large number of diffraction patterns within a short period of time. Therefore, the reconstruction of correct electron density maps is the bottleneck for efficiently conducting structure analyses of non‐crystalline particles. To automatically address the correctness of retrieved electron density maps, a data analysis protocol to extract the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a single diffraction pattern is proposed. Through monitoring the variations of the phase values during PR calculations, the tendency for the PR calculations to succeed when the retrieved phase sets converged on a certain value was found. On the other hand, if the phase set was in persistent variation, the PR calculation tended to fail to yield the correct electron density map. To quantify this tendency, here a figure of merit for the variation of the phase values during PR calculation is introduced. In addition, a PR protocol to evaluate the similarity between a map of the highest figure of merit and other independently reconstructed maps is proposed. The protocol is implemented and practically examined in the structure analyses for diffraction patterns from aggregates of gold colloidal particles. Furthermore, the feasibility of the protocol in the structure analysis of organelles from biological cells is examined. 相似文献
997.
Takeshi Kikuchi 《Physica A》2009,388(2-3):129-136
The properties of correlation functions between spins in a specific spin model with no frustration, and with high frustration are compared. It was already confirmed that the ground state formation of our no frustration model showed two-state Arrhenius-like kinetics, such as observed in protein folding. In this paper, we present that the correlation functions of the non-frustration system are characterized by spin motions of the lowest eigenvalue mode, defined by the interspin interactions near the transition temperature. The Arrhenius kinetics are regarded as the transition between this and the ground states, and thus our result denotes the implication to the protein folding mechanism. 相似文献
998.
Yohei Noda Takayuki Kumada Takeji Hashimoto Satoshi Koizumi 《Physica B: Condensed Matter》2009,404(17):2572-2574
We carried out a small-angle neutron scattering (SANS) study of dynamically polarized polyethylene (PE) samples doped with 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO). The transmission of the PE with almost fully polarized neutrons (98.5%) increased with increasing the proton polarization, P. The incoherent scattering cross section decreased with increasing P. The effect of P on the polarized neutrons’ transmission and the incoherent scattering cross section agreed well with the theory. The q-dependence of the coherent scattering, which reflects a two-phase structure of PE composed of crystalline and amorphous domains, was kept unchanged by the proton polarization, but the intensity increased by a factor of 3 and 6 for P=+23% and −23%, respectively. The results mean that the contrast between the two phases was successfully enhanced by a dynamic nuclear polarization (DNP) technique. However, the enhancement is only 1/13–1/16 of the enhancement calculated by assuming a homogeneous polarization through the PE sample. The discrepancy suggests that P in amorphous domains (25%) should be higher than that in crystalline domains (22%) by 3%, which in turn may suggest the partial depolarization of proton spins on the way of the spin diffusion from amorphous domains, where TEMPO radicals localize, to crystalline domains. 相似文献
999.
Chang Liu Takeshi Kondo A.D. Palczewski G.D. Samolyuk Y. Lee M.E. Tillman Ni Ni E.D. Mun R. Gordon A.F. Santander-Syro S.L. Bud’ko J.L. McChesney E. Rotenberg A.V. Fedorov T. Valla O. Copie M.A. Tanatar C. Martin B.N. Harmon P.C. Canfield A. Kaminski 《Physica C: Superconductivity and its Applications》2009,469(9-12):491-497
We present an overview of the electronic properties of iron arsenic high temperature superconductors with emphasis on low energy band dispersion, Fermi surface and superconducting gap. ARPES data is compared with full-potential linearized plane wave (FLAPW) calculations. We focus on single layer NdFeAsO0.9F0.1 (R1111) and two layer Ba1?xKxFe2As2 (B122) compounds. We find general similarities between experimental data and calculations in terms of character of Fermi surface pockets, and overall band dispersion. We also find a number of differences in details of the shape and size of the Fermi surfaces as well as the exact energy location of the bands, which indicate that magnetic interaction and ordering significantly affects the electronic properties of these materials. The Fermi surface consists of several hole pockets centered at Γ and electron pockets located in zone corners. The size and shape of the Fermi surface changes significantly with doping. Emergence of a coherent peak below the critical temperature Tc and diminished spectral weight at the chemical potential above Tc closely resembles the spectral characteristics of the cuprates, however the nodeless superconducting gap clearly excludes the possibility of d-wave order parameter. Instead it points to s-wave or extended s-wave symmetry of the order parameter. 相似文献
1000.
We have been studying various types of computer-generated holograms for three-dimensional (3D) displays both for a real-time holographic video display and a hard copy, or a printed hologram. For the hard copy output, we have developed a direct fringe printer, which is achieved to print over 100 gigapixels computer-generated hologram with 0.44μm pitch. In this paper, we introduce our recent progresses on the rainbow hologram, the cylindrical holograms, and the disk hologram for 3D display. 相似文献