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Quantum Dynamics of a Hydrogen Molecule Confined in a Cylindrical Potential

Taner Yildirim、A. Brooks Harris2003-01-23arXiv

We study the coupled rotation-vibration levels of a hydrogen molecule in a confining potential with cylindrical symmetry. We include the coupling between rotations and translations and show how this interaction is essential to obtain the correct degeneracies of the energy level scheme. We applied our formalism to stud…

Materials Sciencecond-mat.stat-mech

The existence of a stable noncollinear phase in a Heisenberg model with a complex structure

D. V. Shopova、T. L. Boyadjiev2003-01-23arXiv

We have analyzed the properties of a noncollinear magnetic phase obtained in the mean-field analysis of the model of two coupled Heisenberg subsystems. The domain of its existence and stability is narrow and depends on the ratio between the averaged over nearest neighbours microscopic exchange parameters.

Materials Science

Crossover between ionic/covalent and pure ionic bonding in magnesium oxyde clusters

F. Calvo2003-01-23arXiv

An empirical potential with fluctuating charges is proposed for modelling (MgO)_n clusters in both the molecular (small n) and bulk (n->infty) regimes. Vectorial polarization forces are explicitely taken into account in the self-consistent determination of the charges. Our model predicts cuboid cluster structures, in…

Materials Science

Study of Phase Stability in NiPt Systems

Durga Paudyal、Tanusri Saha-Dasgupta、Abhijit Mookerjee2003-01-23arXiv

We have studied the problem of phase stability in NiPt alloy system. We have used the augmented space recursion based on the TB-LMTO as the method for studying the electronic structure of the alloys. In particular, we have used the relativistic generalization of our earlier technique. We note that, in order to predict…

Materials Science

Motion of a transverse/parallel grain boundary in a block copolymer under oscillatory shear flow

Francois Drolet、Jorge Vinals2003-01-23arXiv

A mesoscopic model of a diblock copolymer is used to study the motion of a grain boundary separating two regions of perfectly ordered lamellar structures under an oscillatory but uniform shear flow. The case considered is a grain boundary separating lamellae along the so called parallel orientation (with wavevector pa…

Materials ScienceSoft Condensed Matter

Correlation between the photoluminescence lifetime and defect density in bulk and epitaxial ZnO

Takashi Koida、Shigefusa F. Chichibu、Akira Uedono 等 8 位作者2003-01-23Applied Physics Letters

Influences of point defects on the nonradiative processes in ZnO were studied using steady-state and time-resolved photoluminescence (PL) spectroscopy making a connection with the results of positron annihilation measurement. Free excitonic PL intensity naturally increased with the increase in the nonradiative PL life…

ZnO doping and propertiesCopper-based nanomaterials and applicationsGa2O3 and related materials

First-Principles Calculation of Vibrational Raman Spectra in Large Systems: Signature of Small Rings in CrystallineSiO2

Michele Lazzeri、Francesco Mauri2003-01-23arXiv

We present an approach for the efficient calculation of vibrational Raman intensities in periodic systems within density functional theory. The Raman intensities are computed from the second order derivative of the electronic density matrix with respect to a uniform electric field. In contrast to previous approaches,…

Zeolite Catalysis and SynthesisCrystal Structures and PropertiesSolid-state spectroscopy and crystallography

PbTe-based quantum-dot thermoelectric materials with high ZT

T. C. Harman、Patrick J. Taylor、D. L. Spears 等 4 位作者2003-01-22OpenAlex

Following the experimentally observed Seebeck coefficient enhancement in PbTe quantum wells in Pb/sub 1-x/Eu/sub x/Te/PbTe multiple-quantum-well structures which indicated the potential usefulness of low dimensionality, we have investigated the thermoelectric properties of PbSe/sub x/Te/sub 1-x//PbTe quantum-dot super…

Quantum and electron transport phenomenaAdvanced Thermoelectric Materials and DevicesTopological Materials and Phenomena

X‐ray Diffraction Studies on Mesophases of Cetyl‐ and Dodecyltrimethylammoniumbromide in Liquid Ammonia

Stefan Bzik、Martin Jansen2003-01-22Chemistry - A European Journal

We have studied solutions of the surfactants cetyltrimethylammoniumbromide (CTAB) and dodecyltrimethylammoniumbromide (DTAB) in liquid ammonia with respect to the formation of lyotropic phases. For this purpose, a set-up for performing X-ray scattering experiments at temperatures up to 120 degrees C on samples contain…

Surfactants and Colloidal SystemsMesoporous Materials and CatalysisPorphyrin and Phthalocyanine Chemistry

An introduction to the DARPA program in advanced thermoelectric materials and devices

Lawrence H. Dubois2003-01-22OpenAlex

The Defense Advanced Research Projects Agency (DARPA) initiated its program in advanced thermoelectric materials and devices in 1995 in response to a belief that these materials could play a significant role in the development of new and enhanced military capabilities. The current and future use of these all-solid-sta…

Advanced Thermoelectric Materials and Devices

Thermoelectric transport properties of porous silicon nanostructure

Atsushi Yamamoto、H. Takazawa、T. Ohta2003-01-22OpenAlex

We evaluated the in-plane thermoelectric transport properties of self-supporting porous silicon samples which were prepared through anodization of degenerate silicon wafer. Rapid decrease of both electrical and thermal conductivity were observed alter the anodization. The thermal conductivities decreased by two orders…

Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsThermal properties of materials

Advances in 1D and 2D thermoelectric materials

M. S. Dresselhaus、Yanming Lin、G. Dresselhaus 等 8 位作者2003-01-22OpenAlex

Recent advances in our understanding of 1D and 2D thermoelectric materials in the form of quantum wires (1D) and quantum wells (2D) are reviewed, with emphasis given to the physical mechanisms responsible for the enhanced thermoelectric figure of merit (ZT) in these low dimensional systems. Starting with 2D superlatti…

Advanced Thermoelectric Materials and DevicesTopological Materials and PhenomenaThermal properties of materials

Analysis on thermo-mechanical stress of thermoelectric module

Yasuhiko Hori、D. Kusano、T. Ito 等 4 位作者2003-01-22OpenAlex

This paper describes the thermo-mechanical performance of thermoelectric modules. A heat cycle test was performed in order to analyze the thermo-mechanical performance of modules of three different cross sectional area of elements. Modules of all the three types declined in generated output with the increase of heat c…

Advanced Thermoelectric Materials and DevicesElectronic Packaging and Soldering TechnologiesHeat Transfer and Optimization

Structural and Physical Properties of the Ferromagnetic Tris-Dithiooxalato Compounds, A[MIICrIII(C2S2O2)3], with A+ = N(n-CnH2n+1)4+ (n = 3−5) and P(C6H5)4+ and MII = Mn, Fe, Co, and Ni

Justin M. Bradley、Simon G. Carling、D. Visser 等 6 位作者2003-01-22Inorganic Chemistry

The structural and magnetic properties of the tris-dithiooxalato salts, A[M(II)Cr(C(2)S(2)O(2))(3)], have been investigated with A(+) = PPh(4)(+), N(n-C(n)()H(2)(n)()(+1))(4)(+), with n = 3-5, where M(II) is Mn, Fe, Co, and Ni. With the exception of A[MnCr(C(2)S(2)O(2))(3)], all the salts are ferromagnets with Curie t…

Crystal structures of chemical compoundsMagnetism in coordination complexesOrganometallic Compounds Synthesis and Characterization

Light emission and detection by metal oxide silicon tunneling diodes

C. W. Liu、M. H. Lee、Ching‐Fuh Lin 等 6 位作者2003-01-22OpenAlex

Both NMOS and PMOS light-emitting diodes and photodetectors are demonstrated. For the ultrathin gate oxide, the tunneling gate of metal oxide silicon (MOS) diodes can be utilized as both emitters for light emitting devices and collectors for light detectors. An electron-hole plasma model is used to fit the emission sp…

Semiconductor materials and devicesThin-Film Transistor TechnologiesSilicon Nanostructures and Photoluminescence

Preparation and Some Electrical Properties of Yttrium-Doped Antimonic Acids

Kiyoshi Ozawa、Junhu Wang、Jinhua Ye 等 5 位作者2003-01-22Chemistry of Materials

New kinds of yttrium-doped antimonic acid compounds with the compositional formula of H 1 - 3 x Y x SbO 3 · n H 2 O (0 ≤ x ≤ 0.22, n = 0.5) were successfully synthesized by solution processing using the reaction of an aqueous hydrogen peroxide solution with antimony and yttrium alkoxides, i.e., Sb(O- iso -C 3 H 7 ) 3…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsSolid-state spectroscopy and crystallography

Application of thermoelectrics to cooling electronics: review and prospects

Richard C. Chu、Robert E. Simons2003-01-22OpenAlex

This paper provides a review of the applications of thermoelectric devices to cooling electronics and prospects for the future. The need to accommodate increased module heat flux and reduce chip operating temperatures is discussed, along with the cooling technology developed within IBM to do this. A brief background d…

Advanced Thermoelectric Materials and DevicesHeat Transfer and OptimizationAdvanced Thermodynamics and Statistical Mechanics

Local structure and glass transition of polybutadiene up to 4 GPa

A. Cailliaux、C. Alba‐Simionesco、B. Frick 等 5 位作者2003-01-22Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

This communication presents a determination of the glass transition of polybutadiene under very high pressure, and raises the problem of the determination of the relative effects of temperature and density on the glass transition, depending on the pressure and temperature conditions. Local structure and slow dynamics…

Phase Equilibria and ThermodynamicsHigh-pressure geophysics and materialsMaterial Dynamics and Properties

Mixed-Valence State of Europium in the Misfit Layer Compound (EuS)1.173NbS2

Laurent Cario、P. Palvadeau、A. Lafond 等 7 位作者2003-01-22Chemistry of Materials

A new misfit layer compound (EuS) 1.173 NbS 2 was synthesized, and its structure was solved in a (3+1) D superspace using the superspace group Xm 2 m( α 00 ) with X referring to a pseudo F centering. The cell parameters are a s = 3.3251(9) Å, b s = 5.7432(9) Å, and c s = 22.939(5) Å ( V s = 438.1(3) Å 3 ) with a modul…

Crystal Structures and PropertiesIron-based superconductors researchInorganic Chemistry and Materials

New tools to determine the vulnerability of stator windings to voltage surges from IFDs

G.C. Stone、S.R. Campbell、M. Susnik2003-01-22OpenAlex

It is well known that repetitive voltage surges from modern inverter fed drives (IFD) may age the insulation of motor stator windings, even on motors rated 440 V, leading to premature failure. Insulation aging seems to be correlated to the partial discharge (PD) activity of surges with very fast risetimes and high mag…

High voltage insulation and dielectric phenomenaPower Transformer Diagnostics and InsulationElectrostatic Discharge in Electronics