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Single hole motion in LaMnO$_3$

Wei-Guo Yin、Hai-Qing Lin、Chang-De Gong2001-03-07arXiv

We study single hole motion in LaMnO$_3$ using the classical approximation for JT lattice distortions, a modified Lang-Firsov approximation for dynamical breathing-mode phonons, and the self-consistent Born approximation (verified by exact diagonalization) for hole-orbital-excitation scattering. We show that in the re…

Strongly Correlated ElectronsMaterials Science

Criterion for crack formation in disordered materials

Peter F. Arndt、Thomas Nattermann2001-03-07Physical review. B, Condensed matter

Crack formation is conventionally described as a nucleation phenomenon despite the fact that the temperatures necessary to overcome the nucleation barrier are far too high. In this paper we consider the possibility that cracks are created due to the presence of frozen disorder (e.g., heterogeneities or frozen dislocat…

Material Properties and Failure MechanismsGeotechnical and Geomechanical EngineeringElasticity and Wave Propagation

Fluctuation Magnetoconductance in MgB2

W. N. Kang、Kijoon H. P. Kim、Hyeong-Jin Kim 等 11 位作者2001-03-07arXiv

We report fluctuation magnetoconductance in a MgB2 superconductor prepared under a high pressure of 3 GPa. This excess magnetoconductance, $Δσ(H)$, follows the three-dimensional scaling function for the critical fluctuations proposed by Ullah and Dorsey. This feature is inferred to originate from the isotropic nature…

Materials ScienceSuperconductivity

Mesoporous Tantalum Oxide. 1. Characterization and Photocatalytic Activity for the Overall Water Decomposition

Yoshiko Takahara、Junko N. Kondo、Tsuyoshi Takata 等 5 位作者2001-03-07Chemistry of Materials

Mesoporous Ta 2 O 5 was synthesized by the ligand-assisted templating method, and its stability for use as a photocatalyst was studied by X-ray diffraction, N 2 adsorption isotherm analysis, and transmission electron microscopy. The photocatalytic activity for the overall water decomposition on the mesoporous Ta 2 O 5…

Advanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceMesoporous Materials and Catalysis

Electron-electron interactions in graphene sheets

J. González、F. Guinea、María A. H. Vozmediano2001-03-07Physical review. B, Condensed matter

The effects of the electron-electron interactions in a graphene layer are investigated. It is shown that short-range couplings are irrelevant and scale towards zero at low energies, due to the vanishing of density of states at the Fermi level. Topological disorder enhances the density of states and can lead to instabi…

Topological Materials and PhenomenaFullerene Chemistry and ApplicationsGraphene research and applications

Nuclear spin relaxation in quasicrystals via hierarchically variable-range electron hopping

J. Dolinšek、M. Klanjšek2001-03-06Physical review. B, Condensed matter

A model of NMR spin-lattice relaxation in quasicrystals is presented, which takes into account two important quasicrystals-specific features: (i) the critical nature of the electronic states and (ii) the phonon-assisted hopping nature of electronic conduction within the self-similar quasiperiodic structure of hierarch…

X-ray Diffraction in CrystallographyQuasicrystal Structures and Properties

Computer simulation of intrinsic defects in PbWO 4

Qisheng Lin、Xiqi Feng、Zhenyong Man2001-03-06Physical review. B, Condensed matter

A computer simulation study has been performed to investigate the intrinsic defects in ${\mathrm{PbWO}}_{4}$ (PWO). The interatomic potentials were empirically fit to the known crystal properties. Calculations reveal that PbO nonstoichiometry dominates the intrinsic defects in PWO, whereas the oxygen Frenkel defects w…

Advanced Condensed Matter PhysicsLuminescence Properties of Advanced MaterialsElectronic and Structural Properties of Oxides

Comparing protein–ligand interactions in solution and single crystals by Raman spectroscopy

Michael D. Altose、Yuangang Zheng、Jian Dong 等 5 位作者2001-03-06Proceedings of the National Academy of Sciences

By using a Raman microscope, we show that it is possible to probe the conformational states in protein crystals and crystal fragments under growth conditions (in hanging drops). The flavin cofactor in the enzyme para-hydroxybenzoate hydroxylase can assume two conformations: buried in the protein matrix ("in") or essen…

Protein Structure and DynamicsMetabolomics and Mass Spectrometry StudiesEnzyme Structure and Function

Mechanism of Adsorption of Water, Benzene, and Nitrogen on Al-MCM-41 and Effect of Coking on the Adsorption

M. Rozwadowski、Maria Leżańska、Jerzy Włoch 等 6 位作者2001-03-06Langmuir

Water, benzene, and nitrogen were adsorbed on Al-MCM-41 molecular sieves, both unmodified and modified via controlled deposition of coke, and adsorption isotherms were determined. The mechanism of adsorption most probably includes multilayer adsorption at lower relative pressures, followed by capillary condensation. I…

Catalytic Processes in Materials ScienceMesoporous Materials and CatalysisZeolite Catalysis and Synthesis

Loading dynamics ofCO2laser traps

K. M. O’Hara、S. R. Granade、Michael E. Gehm 等 4 位作者2001-03-06Physical Review A

We present a simple Fokker-Planck model for the evolution of the number of atoms and the spatial distribution in a ${\mathrm{CO}}_{2}$ laser trap which is loaded from a magneto-optical trap (MOT). Deep ${\mathrm{CO}}_{2}$ laser traps can achieve very high densities, but reach equilibrium slowly compared to shallow tra…

Protein Interaction Studies and Fluorescence AnalysisDiamond and Carbon-based Materials ResearchLaser Design and Applications

Synthesis and Characterization of Mesoscopic Hollow Spheres of Ceramic Materials with Functionalized Interior Surfaces

Yadong Yin、Yu Lu、Byron D. Gates 等 4 位作者2001-03-06Chemistry of Materials

Mesoscopic hollow spheres of ceramic materials whose interior surfaces were functionalized by nanoscopic objects were generated by templating sol−gel precursors against three-dimensional arrays of polystyrene beads whose surfaces had been derivatized with submonolayers of the nanoscopic objects.

Mesoporous Materials and CatalysisPolymer Surface Interaction StudiesPickering emulsions and particle stabilization

Correlations between the magnetic and structural properties of Ca-dopedBiMnO3

H. Woo、Trevor A. Tyson、Mark Croft 等 5 位作者2001-03-06Physical review. B, Condensed matter

The ${\mathrm{Bi}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ system is known to exhibit charge ordering for a much broader range of x than the ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ system. However, the properties of ${\mathrm{Bi}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm…

Multiferroics and related materialsAdvanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materials

Coherent description of electrical and thermal impurity-and-phonon limited transport in simple metals

M. Ausloos、K. Durczewski、J. Ulner2001-03-06arXiv

The electrical resistivity, thermoelectric power and electronic thermal conductivity of simple (isotropic) metals are studied in a uniform way. Starting from results of a variational solution of the Boltzmann equation, a generalized Matthiessen rule is used in order to superpose the inelastic (or not) electron-phonon…

cond-mat.stat-mechStrongly Correlated ElectronsMaterials Science

Metal-Boron Nanotubes

Alexander Quandt、Amy Y. Liu、Ihsan Boustani2001-03-06arXiv

Nanotubular materials inspired by crystalline diborides such as AlB_2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated using density-functional calculations for prototype systems. The optimized tubular…

Materials Science

Monolithic Metal Oxide Thin-Wall Substrates with Closed and Open Cells: Optimal Designs by Theoretical Modeling and Experiment

Eugene Shustorovich、Victor Shustorovich、К. А. Солнцев2001-03-05SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">Recently, ASMT has developed a process of making monolithic metal oxide thin-wall structures from mechanically assembled metal preforms, whose shape and internal configuration are retained in the (oxidation) process. Because metallic designs can be extremely diverse, the same vari…

Semiconductor materials and devicesAdvanced ceramic materials synthesisThermal properties of materials

Development of Second Generation of Gasoline P-ZEV Technolgy

Kimiyoshi Nishizawa、Shunichi Mitsuishi、Kouji Mori 等 4 位作者2001-03-05SAE technical papers on CD-ROM/SAE technical paper series

This paper describes the third generation of the partial zero emission vehicle (P-ZEV) technology originally adopted on the Nissan Sentra CA sold in California. The 2000 Nissan Sentra CA became the world's first gasoline-fueled car to qualify for P-ZEV credits from the California Air Resources Board (CARB). The third-…

Vehicle emissions and performanceAdvanced Combustion Engine TechnologiesCatalytic Processes in Materials Science

Modeling and Numerical Analysis of NOx Storage-Reduction Catalysts - On the Two Effects of Rich-Spike Duration

Shinji Kojima、Naoki Baba、Shinichi Matsunaga 等 6 位作者2001-03-05SAE technical papers on CD-ROM/SAE technical paper series

Two effects of rich-spike duration on NOx-storing have been analyzed. The first one, that NOx-storing speed decreases as rich-spike duration increases, is explained as the influence of NOx diffusion in wash-coat layer, which is quantified by a simple mathematical expression for NOx-storing rate. The second one, a pecu…

Catalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Innovative Design and Ballistic Performance of Lightweight Composite Integral Armor

Bazle A. Gama、John W. Gillespie、Travis A. Bogetti 等 4 位作者2001-03-05SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">Recent developments in design of composite armor for lightweight ground vehicle applications is discussed. Composite integral armor (CIA) is a multi-functional hybrid material system that has been successfully demonstrated in the Composite Armored Vehicle. A typical CIA hull consi…

Mechanical Behavior of CompositesEnergetic Materials and CombustionHigh-Velocity Impact and Material Behavior

A Modular Numerical Simulation Tool Predicting Catalytic Converter Light-Off by Improved Modeling of Thermal Management and Conversion Characteristics

S. Büchner、S. Santos Lardies、Alf Degen 等 5 位作者2001-03-05SAE technical papers on CD-ROM/SAE technical paper series

<div class="htmlview paragraph">Strict legislation standards for automotive emission limits (e.g. ULEV, SULEV), which target for HC conversion rates beyond 99 %, impose the necessity to dramatically shorten catalyst Light-Off time and increase catalytic efficiency through improved catalytic converter heat-up. Es…

Catalysis and Hydrodesulfurization StudiesCatalytic Processes in Materials ScienceCatalysts for Methane Reforming