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2002

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Articles 391 - 420 of 425

Full-Text Articles in Physics

First Measurement Of The Double Spin Asymmetry In →E→P → E ‘Π⁺ In The Resonance Region, G. E. Dodge, K. V. Dharmawardane, T. A. Forest, C. E. Hyde-Wright, A. Klein, S. E. Kuhn, R. A. Niyazov, L. B. Weinstein, J. Yun, Et. Al., Clas Collaboration Jan 2002

First Measurement Of The Double Spin Asymmetry In →E→P → E ‘Π⁺ In The Resonance Region, G. E. Dodge, K. V. Dharmawardane, T. A. Forest, C. E. Hyde-Wright, A. Klein, S. E. Kuhn, R. A. Niyazov, L. B. Weinstein, J. Yun, Et. Al., Clas Collaboration

Physics Faculty Publications

The double spin asymmetry in the →e→p → e' π+n reaction has been measured for the first time in the resonance region for four-momentum transfer Q2 = 0.35-1.5 GeV2. Data were taken at Jefferson Lab with the CLAS detector using a 2.6 GeV polarized electron beam incident on a polarized solid NH3 target. Comparison with predictions of phenomenological models shows strong sensitivity to resonance contributions. Helicity-1/2 transitions are found to be dominant in the second and third resonance regions. The measured asymmetry is consistent with a faster rise with Q2 …

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Analytically Continued Hypergeometric Expression Of The Incomplete Beta Function, Jack C. Straton Jan 2002

Analytically Continued Hypergeometric Expression Of The Incomplete Beta Function, Jack C. Straton

Physics Faculty Publications and Presentations

The Incomplete Beta Function is rewritten as a Hypergeometric Function that is the analytic continuation of the conventional form, a generalization of the finite series, which simpifies the Stieltjes transform of powers of a monomial divided by powers of a binomial.

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A Simple Demonstration Of Mie Scattering Using An Overhead Projector, Charles L. Adler, James A. Lock Jan 2002

A Simple Demonstration Of Mie Scattering Using An Overhead Projector, Charles L. Adler, James A. Lock

Physics Faculty Publications

No abstract provided.

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Determination Of Magnetic Exchange Stiffness And Surface Anisotropy Constants In Epitaxial Ni_ {1-X} Co_ {X}(001) Films, P. Talagala, Petru S. Fodor, Haddad R. Naik, Lowell E. Wenger, P. P. Vaishnava, V. M. Naik Jan 2002

Determination Of Magnetic Exchange Stiffness And Surface Anisotropy Constants In Epitaxial Ni_ {1-X} Co_ {X}(001) Films, P. Talagala, Petru S. Fodor, Haddad R. Naik, Lowell E. Wenger, P. P. Vaishnava, V. M. Naik

Physics Faculty Publications

Magnetic characteristics of epitaxial Ni1-xCox(001) (x=0, 0.16, and 0.50) films with nominal 200 nm thickness on Cu(001)/Si(100) substrates have been investigated by magnetization and ferromagnetic resonance measurements in order to better clarify the rationale for the large variation in the magnetic exchange stiffness constant A, previously determined from different measurements. The exchange constant as well as the saturation magnetization, effective demagnetizing field, fourth-order magnetocrystalline, and second-order perpendicular uniaxial magnetic anisotropy fields has been determined. The analyses of low-temperature saturation magnetization data on these films yield A values that increase from 0.82×10-6erg/cm for a pure Ni film to 2.27×10-6erg/cm for the …

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Thermal Hysteresis In The Charge-Density-Wave Transition Of Lu5rh4si10, C. S. Lue, Y. K. Kuo, F. H. Hsu, H. H. Li, H. D. Yang, Petru S. Fodor, Lowell E. Wenger Jan 2002

Thermal Hysteresis In The Charge-Density-Wave Transition Of Lu5rh4si10, C. S. Lue, Y. K. Kuo, F. H. Hsu, H. H. Li, H. D. Yang, Petru S. Fodor, Lowell E. Wenger

Physics Faculty Publications

We report the detailed studies of resistivity, magnetic susceptibility, heat capacity, thermal conductivity, and thermoelectric power on the charge-density-wave (CDW) material Lu5Rh4Si10 in the vicinity of its transition temperature T0 ∼ 147 K. Pronounced thermal hystereses loops between heating and cooling cycles have been observed in all measured quantities, making this system very unique as compared to other isostructural compounds such as Lu5Ir4Si10. The thermal hysteresis features in Lu5Rh4Si10 are attributed to the presence of metastable states arising from pinning of the CDW phase to impurities. In addition, the measured physical quantities are magnetic field independent up to 8 T, …

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Phase And Absorption Gratings For Electrons, Hong Gao, Glen Gronniger, Daniel Friemund, Alex Cronin Jan 2002

Phase And Absorption Gratings For Electrons, Hong Gao, Glen Gronniger, Daniel Friemund, Alex Cronin

Department of Physics and Astronomy: Faculty Publications

We report the experimental realization of phase and absorption gratings for electrons. Phase gratings made with standing waves of light with a periodicity of 266 nm are used to diffract 380 eV electrons [1]. Material gratings of 100 and 200 nm periodicity are used to diffract 500 eV electrons. We are exploring the possibility to use these gratings for low energy electron interferometry.

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Optical And Magnetic Behaviour Of Low Dimensional Structures, Francis Pedreschi Jan 2002

Optical And Magnetic Behaviour Of Low Dimensional Structures, Francis Pedreschi

Doctoral

Low dimensional structures can exhibit unusual properties due to the quantum confinement of electrons. This may manifest itself in any effects that depend on electron behaviour. In this study, the optical and magnetic properties in particular of two types of low dimensional structures are examines. Quantum wires are structures that have macroscopic length scales along one dimension and nanometre length scales in the others. Two Indium induced reconstructions of Silicon surfaces were grown and examined to determine if quantum confinement, a necessary requirement for a quantum wire, did exist for their structures. A UHV compatible Reflectance Anisotropy Spectroscopy (RAS) instrument, …

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Flow Patterns In A Two-Roll Mill, Christopher Hills Jan 2002

Flow Patterns In A Two-Roll Mill, Christopher Hills

Articles

The two-dimensional flow of a Newtonian fluid in a rectangular box that contains two disjoint, independently-rotating, circular boundaries is studied. The flow field for this two-roll mill is determined numerically using a finite-difference scheme over a Cartesian grid with variable horizontal and vertical spacing to accommodate satisfactorily the circular boundaries. To make the streamfunction numerically determinate we insist that the pressure field is everywhere single-valued. The physical character, streamline topology and transitions of the flow are discussed for a range of geometries, rotation rates and Reynolds numbers in the underlying seven-parameter space. An account of a preliminary experimental study of …

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Rational Generalized Moonshine From Abelian Orbifoldings Of The Moonshine Module, Rossen Ivanov, Michael Tuite Jan 2002

Rational Generalized Moonshine From Abelian Orbifoldings Of The Moonshine Module, Rossen Ivanov, Michael Tuite

Articles

We consider orbifoldings of the Moonshine Module with respect to the abelian group generated by a pair of commuting Monster group elements with one of prime order p = 2, 3, 5, 7 and the other of order pk for k = 1 or k prime. We show that constraints arising from meromorphic orbifold conformal field theory allow us to demonstrate that each orbifold partition function with rational coefficients is either constant or is a hauptmodul for an explicitly found modular fixing group of genus zero. We thus confirm in the cases considered the Generalised Moonshine conjectures for all rational …

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Comment On ‘‘Stress-Density Ratio Slip-Corrected Reynolds Equation For Ultra-Thin Film Gas Bearing Lubrication’’, Alejandro Garcia Jan 2002

Comment On ‘‘Stress-Density Ratio Slip-Corrected Reynolds Equation For Ultra-Thin Film Gas Bearing Lubrication’’, Alejandro Garcia

Faculty Publications

No abstract provided.

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Liquid Crystals: Nature's Delicate Phase Of Matter, Peter J. Collings Jan 2002

Liquid Crystals: Nature's Delicate Phase Of Matter, Peter J. Collings

Physics & Astronomy Faculty Works

No abstract provided.

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Large Enhancement Of Spontaneous Emission Rates Of Inas Quantum Dots In Gaas Microdisks, W. Fang, Alexey Yamilov, Yinfa Ma, J. Y. Xu, S. T. Ho, G. S. Solomon, Hui Cao Jan 2002

Large Enhancement Of Spontaneous Emission Rates Of Inas Quantum Dots In Gaas Microdisks, W. Fang, Alexey Yamilov, Yinfa Ma, J. Y. Xu, S. T. Ho, G. S. Solomon, Hui Cao

Physics Faculty Research & Creative Works

Control of spontaneous emission in a microcavity has many important applications, e.g. improvement of the efficiency of light emitting devices. InAs quantum dots (QDs) embedded in microdisks are ideal systems for spontaneous emission control. The whispering gallery (WG) modes of microdisks have low volume and high quality factor. The homogeneous linewidth of InAs quantum dots is smaller than the spectral width of WG modes. Thus, a large enhancement of the spontaneous emission rates should be expected for QDs coupled to WG modes. However, large inhomogeneous broadening of the QD energy levels and random spatial distribution of the QDs in a …

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Effect Of Oxygen Vacancies On The Magnetic Structure Of The La₀.₆Sr₀.₄Feo3-Δ Perovskite: A Neutron Diffraction Study, Zili Chu, William B. Yelon, Jinbo Yang, William Joseph James, Harlan U. Anderson, Yixiang Xie, Satish K. Malik Jan 2002

Effect Of Oxygen Vacancies On The Magnetic Structure Of The La₀.₆Sr₀.₄Feo3-Δ Perovskite: A Neutron Diffraction Study, Zili Chu, William B. Yelon, Jinbo Yang, William Joseph James, Harlan U. Anderson, Yixiang Xie, Satish K. Malik

Physics Faculty Research & Creative Works

Magnetic interactions in perovskite compounds of the type La1-xSrxMO3-δ (M=3d transition such as Mn and Fe) are presumed to arise through a super exchange between 3d electrons of the magnetic ions via oxygen orbitals. The magnetic structure of La0.6Sr0.4FeO3-δ has been studied with neutron diffraction. Oxygen vacancies were created by annealing samples under various gases including N2, air and mixtures of CO/CO2. All La0.6Sr0.4FeO3-δ compounds maintain the rhombohedral structure (space group R3̄c). The air- or oxygen-annealed samples have almost no oxygen …

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Single-Particle Model For A Granular Ratchet, Albert J. Bae, Welles Antonio Martinez Morgado, J. J. P. Veerman, Giovani L. Vasconcelos Jan 2002

Single-Particle Model For A Granular Ratchet, Albert J. Bae, Welles Antonio Martinez Morgado, J. J. P. Veerman, Giovani L. Vasconcelos

Mathematics and Statistics Faculty Publications and Presentations

A simple model for a granular ratchet corresponding to a single grain bouncing off a vertically vibrating sawtooth-shaped base is studied. Depending on the model parameters, horizontal transport is observed in both the preferred and unfavoured directions. A phase diagram is presented indicating the regions in parameter space where the different regimes (no current, normal current, and current reversal) occur.

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The Principle Of Symmetric Criticality In General Relativity, Mark E. Fels, Charles G. Torre Jan 2002

The Principle Of Symmetric Criticality In General Relativity, Mark E. Fels, Charles G. Torre

All Physics Faculty Publications

We consider a version of Palais' principle of symmetric criticality (PSC) that is applicable to the Lie symmetry reduction of Lagrangian field theories. Given a group action on a space of fields, PSC asserts that for any group-invariant Lagrangian, the equations obtained by restriction of Euler–Lagrange equations to group-invariant fields are equivalent to the Euler–Lagrange equations of a canonically defined, symmetry-reduced Lagrangian. We investigate the validity of PSC for local gravitational theories built from a metric and show that there are two independent conditions which must be satisfied for PSC to be valid. One of these conditions, obtained previously in …

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Like A Bridge Over Colored Water: A Mathematical Review Of The Rainbow Bridge: Rainbows In Art, Myth, And Science, John A. Adam Jan 2002

Like A Bridge Over Colored Water: A Mathematical Review Of The Rainbow Bridge: Rainbows In Art, Myth, And Science, John A. Adam

Mathematics & Statistics Faculty Publications

Commenting on a recent book, the author discusses various views of the rainbow: its role in culture, its scientific description, and its mathematical theory.

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Electron Pulse Broadening Due To Space Charge Effects In A Photoelectron Gun For Electron Diffraction And Streak Camera Systems, Bao-Liang Qian, Hani E. Elsayed-Ali Jan 2002

Electron Pulse Broadening Due To Space Charge Effects In A Photoelectron Gun For Electron Diffraction And Streak Camera Systems, Bao-Liang Qian, Hani E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

The electron pulse broadening and energy spread, caused by space charge effects, in a photoelectron gun are studied analytically using a fluid model. The model is applicable in both the photocathode-to-mesh region and the postanode electron drift region. It is found that space charge effects in the photocathode-to-mesh region are generally unimportant even for subpicosecond pulses. However, because of the long drift distance, electron pulse broadening due to space charge effects in the drift region is usually significant and could be much larger than the initial electron pulse duration for a subpicosecond electron pulse. Space charge effects can also lead …

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Comment On "Ultrafast Electron Optics: Propagation Dynamics Of Femtosecond Electron Packets" J. Appl. Phys. 92, 1643 (2002), Bao-Liang Qian, Hani E. Elsayed-Ali Jan 2002

Comment On "Ultrafast Electron Optics: Propagation Dynamics Of Femtosecond Electron Packets" J. Appl. Phys. 92, 1643 (2002), Bao-Liang Qian, Hani E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

In a recent article 关J. Appl. Phys. 92, 1643 共2002兲兴 Siwick et al. investigated the space-charge-limited electron pulse propagation in a photoelectron gun using an analytical approach, referred to as mean-field theory, and a numerical N-body simulation. The results were compared with a one-dimensional fluid model 关J. Appl. Phys. 91, 462 共2002兲兴, and a conclusion was made that the fluid model overestimates the pulse duration after a certain propagation time. Although the mean-field theory and N-body simulation give exactly the same results for all examples studied, we point out that the expression for the on-axis potential in their mean-field model …

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Effects Of Nonequilibrium Atmospheric Pressure Plasmas On The Heterotrophic Pathways Of Bacteria And On Their Cell Morphology, Mounir Laroussi, J. Paul Richardson, Fred C. Dobbs Jan 2002

Effects Of Nonequilibrium Atmospheric Pressure Plasmas On The Heterotrophic Pathways Of Bacteria And On Their Cell Morphology, Mounir Laroussi, J. Paul Richardson, Fred C. Dobbs

OES Faculty Publications

To date, most research on the interaction of nonequilibrium, atmospheric pressure plasma discharges with bacteria has concentrated on the germicidal effects. Therefore, published results deal mainly with killing efficacy and little attention is given to physical mechanisms and biochemical pathways and their potential alterations when cells of microorganisms are exposed to the plasma. In this letter, an attempt to investigate the effects of plasma exposure on the biochemical pathways of bacteria is presented. In addition, using electron microscopy, we investigate if any gross morphological changes take place when cells are exposed to a lethal dose of plasma. We are testing …

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Fluid Dynamics And Energetics In Ideal Gas Mixtures, John D. Ramshaw Jan 2002

Fluid Dynamics And Energetics In Ideal Gas Mixtures, John D. Ramshaw

Physics Faculty Publications and Presentations

The generalization of fluid dynamics from pure to multicomponent fluids (fluid mixtures composed of different components or species) requires the introduction of new concepts, some of which are rather subtle and are less widely appreciated than they deserve to be. The purpose of this paper is to provide a simple didactic introduction to some of these concepts based on a detailed analysis of the equations governing the flow of ideal gas mixtures. The treatment is based entirely on a continuum description and makes no explicit use of the kinetic theory of gases. We include a straightforward and physically transparent derivation …

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Atomic Hydrogen Cleaning Of Inp(100): Electron Yield And Surface Morphology Of Negative Electron Affinity Activated Surfaces, M. A. Hafez, H. E. Elsayed-Ali Jan 2002

Atomic Hydrogen Cleaning Of Inp(100): Electron Yield And Surface Morphology Of Negative Electron Affinity Activated Surfaces, M. A. Hafez, H. E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

Atomic hydrogen cleaning of the InP(100) surface has been investigated using quantitative reflection high-energy electron diffraction. The quantum efficiency of the surface when activated to negative electron affinity was correlated with surface morphology. The electron diffraction patterns showed that hydrogen cleaning is effective in removing surface contaminants, leaving a clean, ordered, and (2×4)-reconstructed surface. After activation to negative electron affinity, a quantum efficiency of ∼6% was produced in response to photoactivation at 632 nm. Secondary electron emission from the hydrogen-cleaned InP(100)-(2×4) surface was measured and correlated to the quantum efficiency. The morphology of the vicinal InP(100) surface was investigated using …

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Indirect-Drive Noncryogenic Double-Shell Ignition Targets For The National Ignition Facility: Design And Analysis, Peter A. Amendt, J. D. Colvin, R. E. Tipton, D. E. Hinkel, M. J. Edwards, O. L. Landen, John D. Ramshaw, L. J. Suter, W. S. Varnum, R. G. Watt Jan 2002

Indirect-Drive Noncryogenic Double-Shell Ignition Targets For The National Ignition Facility: Design And Analysis, Peter A. Amendt, J. D. Colvin, R. E. Tipton, D. E. Hinkel, M. J. Edwards, O. L. Landen, John D. Ramshaw, L. J. Suter, W. S. Varnum, R. G. Watt

Physics Faculty Publications and Presentations

Analysis and design of indirect-drive National Ignition Facility double-shell targets with hohlraum temperatures of 200 eV and 250 eV are presented. The analysis of these targets includes the assessment of two-dimensional radiation asymmetry and nonlinear mix. Two-dimensional integrated hohlraum simulations indicate that the x-ray illumination can be adjusted to provide adequate symmetry control in hohlraums specially designed to have high laser-coupling efficiency [Suter et al., Phys. Plasmas 7, 2092 (2000)]. These simulations also reveal the need to diagnose and control localized 10?15 keV x-ray emission from the high-Z hohlraum wall because of strong absorption by the high-Z inner shell. Preliminary …

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Acceleration Element For Femtosecond Electron Pulse Compression, Bao-Liang Qian, Hani E. Elsayed-Ali Jan 2002

Acceleration Element For Femtosecond Electron Pulse Compression, Bao-Liang Qian, Hani E. Elsayed-Ali

Electrical & Computer Engineering Faculty Publications

An acceleration element is proposed for compressing the electron pulse duration in a femtosecond photoelectron gun. The element is a compact metal cavity with curved-shaped walls. An external voltage is applied to the cavity where a special electric field forms in such a way that the slow electrons in the electron pulse front are accelerated more than the fast electrons, and consequently the electron pulse duration will be compressed. The distribution of the electric field inside the acceleration cavity is analyzed for the geometry of the cavity. The electron dynamics in this acceleration cavity is also investigated numerically. Numerical results …

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High-Efficiency Solar Cells Based On Cu(Inal)Se[Sub 2] Thin Films, S. Marsillac, P. D. Paulson, M. W. Haimbodi, R. W. Birkmire, W. N. Shafarman Jan 2002

High-Efficiency Solar Cells Based On Cu(Inal)Se[Sub 2] Thin Films, S. Marsillac, P. D. Paulson, M. W. Haimbodi, R. W. Birkmire, W. N. Shafarman

Electrical & Computer Engineering Faculty Publications

A Cu(InAl)Se2solar cell with 16.9% efficiency is demonstrated using a Cu(InAl)Se2thin film deposited by four-source elemental evaporation and a device structure of glass/Mo/Cu(InAl)Se2/CdS/ZnO/indium tin oxide/(Ni/Algrid)/MgF2. A key to high efficiency is improved adhesion between the Cu(InAl)Se2 and the Mo back contact layer, provided by a 5-nm-thick Ga interlayer, which enabled the Cu(InAl)Se2 to be deposited at a 530 °C substrate temperature. Film and device properties are compared to Cu(InGa)Se2 with the same band gap of 1.16 eV. The solar cells have similar behavior, with performance limited by recombination through …

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Optimal Simulation Of Two-Qubit Hamiltonians Using General Local Operations, C. H. Bennett, J. I. Cirac, Matthew S. Leifer, D. W. Leung, N. Linden, S. Popescu, G. Vidal Jan 2002

Optimal Simulation Of Two-Qubit Hamiltonians Using General Local Operations, C. H. Bennett, J. I. Cirac, Matthew S. Leifer, D. W. Leung, N. Linden, S. Popescu, G. Vidal

Mathematics, Physics, and Computer Science Faculty Articles and Research

We consider the simulation of the dynamics of one nonlocal Hamiltonian by another, allowing arbitrary local resources but no entanglement or classical communication. We characterize notions of simulation, and proceed to focus on deterministic simulation involving one copy of the system. More specifically, two otherwise isolated systems A and B interact by a nonlocal Hamiltonian H≠HA+HB . We consider the achievable space of Hamiltonians H8 such that the evolution e2iH8t can be simulated by the interaction H interspersed with local operations. For any dimensions of A and B, and any nonlocal Hamiltonians H and H8, there exists a scale factor …

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Relative Solar And Auroral Contribution To The Polar F Region: Implications For National Space Weather Program, Michael David, Jan Josef Sojka, Robert W. Schunk, R. Heelis Jan 2002

Relative Solar And Auroral Contribution To The Polar F Region: Implications For National Space Weather Program, Michael David, Jan Josef Sojka, Robert W. Schunk, R. Heelis

All Physics Faculty Publications

When plasma in the polar cap F region becomes highly structured, patches, irregularities, and scintillations of HF signals may be observed. The topic of this paper is not the mechanism for structuring or distributing the plasma but rather the source of the plasma. By understanding the plasma source we gain insight into the specification and forecasting of ionospheric structures and irregularities as required for space weather applications. The two major sources of polar cap F region plasma are the solar EUV radiation and the auroral precipitation. The region over which solar EUV production occurs is readily modeled. In contrast, the …

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Temperature Dependence Of Silicon Carrier Effective Masses With Application To Femtosecondreflectivity Measurements, D. Mark Riffe Jan 2002

Temperature Dependence Of Silicon Carrier Effective Masses With Application To Femtosecondreflectivity Measurements, D. Mark Riffe

All Physics Faculty Publications

The conductivity effective masses of electrons and holes in Si are calculated for carrier temperatures from 1 to 3000 K. The temperature dependence of the electron mass is calculated by use of a phenomenological model of conduction-band nonparabolicity that has been fitted to experimental measurements of the dependence of the electron conductivity effective mass on carrier concentration. The hole mass is investigated by tight-binding calculations of the valence bands, which have been adjusted to match experimental values of the valence-band curvature parameters at the top of the valence band. The calculations are in excellent agreement with femtosecond-laser reflectivity measurements of …

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Quantum Dynamics Of The Polarized Gowdy T3 Model, Charles G. Torre Jan 2002

Quantum Dynamics Of The Polarized Gowdy T3 Model, Charles G. Torre

All Physics Faculty Publications

The polarized Gowdy T3 vacuum spacetimes are characterized, modulo gauge, by a “point particle” degree of freedom and a function φ that satisfies a linear field equation and a nonlinear constraint. The quantum Gowdy model has been defined by using a representation for φ on a Fock space F. Using this quantum model, it has recently been shown that the dynamical evolution determined by the linear field equation for φ is not unitarily implemented on F. In this paper, (1) we derive the classical and quantum model using the “covariant phase space” formalism, (2) we show that time evolution is …

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Tightness Of Slip-Linked Polymer Chains, Ralf Metzler, Andreas Hanke, Paul G. Dommersnes, Yacov Kantor, Mehran Kardar Jan 2002

Tightness Of Slip-Linked Polymer Chains, Ralf Metzler, Andreas Hanke, Paul G. Dommersnes, Yacov Kantor, Mehran Kardar

Physics and Astronomy Faculty Publications and Presentations

We study the interplay between entropy and topological constraints for a polymer chain in which sliding rings (slip links) enforce pair contacts between monomers. These slip links divide a closed ring polymer into a number of subloops which can exchange length among each other. In the ideal chain limit, we find the joint probability density function for the sizes of segments within such a slip-linked polymer chain (paraknot). A particular segment is tight (small in size) or loose (of the order of the overall size of the paraknot) depending on both the number of slip links it incorporates and its …

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Group-Fitted Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors, N. Dimakis, Grant Bunker Jan 2002

Group-Fitted Ab Initio Single- And Multiple-Scattering Exafs Debye-Waller Factors, N. Dimakis, Grant Bunker

Physics and Astronomy Faculty Publications and Presentations

X-ray absorption fine structure (XAFS) spectroscopy is one of the few direct probes of the structure of metalloprotein binding that is equally applicable to proteins in crystals, solutions, and membranes. Despite considerable progress in the calculation of the photoelectron scattering aspects of XAFS, calculation of the vibrational aspects has lagged because of the difficulty of the calculations. We report here initial results that express single- and multiple-scattering Debye-Waller factors as polynomial functions of first shell radial distance for metal-peptide complexes, enabling quantitatively accurate full multiple-scattering XAFS data analysis of active sites of unknown structure at arbitrary temperatures without the use …

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