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Articles 1951 - 1980 of 2065

Full-Text Articles in Atomic, Molecular and Optical Physics

Calculated Point Defect Properties Of The Intermetallic Compounds Nickel Titanium (Niti) And Iron Titanium (Feti), Russell T. Lutton Mar 1991

Calculated Point Defect Properties Of The Intermetallic Compounds Nickel Titanium (Niti) And Iron Titanium (Feti), Russell T. Lutton

Theses and Dissertations

Atomistic simulation with a modified version of the DYNAMO code was used to calculate the point defect properties of the intermetallic compounds nickel titanium and iron titanium. The calculated energies are believed to be experimentally accurate to within +/- 0.1 eV. Vacant Ni or Fe lattice sites were preferred and had energies of 6.356 eV for NiTi and 5.899 eV for FeTi. Removing a Ti atom resulted in a neighboring antisite defect caused by migration of a Ni or Fe atom into the vacant Ti site. These configurations had energies of 7.024 eV for NiTi and 6.336 eV for FeTi. …

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Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera Mar 1991

Polarized X-Ray-Emission Studies Of Methyl Chloride And The Chlorofluoromethanes, Dennis W. Lindle, P. L. Cowan, T. Jach, R. E. Lavilla, R. D. Deslattes, Rupert C. Perera

Chemistry and Biochemistry Faculty Research

A new technique sensitive to molecular orientation and geometry, and based on measuring the polarization of x-ray emission, has been applied to the Cl-containing molecules methyl chloride (CH3Cl) and the chlorofluoromethanes (CF3Cl, CF2Cl2, and CFCl3) in the gas phase. Upon selective excitation using monochromatic synchrotron radiation in the Cl K-edge (Cl 1s) near-threshold region, polarization-selective x-ray emission studies reveal highly polarized molecular valence x-ray fluorescence for all four molecules. The degree and the orientation of the polarized emission are observed to be sensitive to the incident excitation energy near …

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High Altitude Neutral Particle Transport Using The Monte Carlo Simulation Code Mcnp With Variable Density Atmosphere, David L. Monti Mar 1991

High Altitude Neutral Particle Transport Using The Monte Carlo Simulation Code Mcnp With Variable Density Atmosphere, David L. Monti

Theses and Dissertations

The Monte Carlo transport code, MCNP was modified for purposes of two dimensional neutron-photon transport modelling in a variable density atmosphere. Calculations were performed using cylindrical (r, z) geometry and a point isotropic neutron-photon source at an elevation of 40 kilometers. Neutron and photon fluence results were computed using ring detectors for field points at constant range versus source elevation angle and for field points at constant altitude versus radius. Comparisons between the modified and unmodified versions of MCNP showed a decrease in run time by a factor of two was possible. Only a fraction of the spatial cells previously …

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A Study Of The Liquid-Solid Interface During Rapid Resolidification Of Cooper-Titanium Using Molecular Dynamics, Craig L. Loisel Mar 1991

A Study Of The Liquid-Solid Interface During Rapid Resolidification Of Cooper-Titanium Using Molecular Dynamics, Craig L. Loisel

Theses and Dissertations

The behavior of the liquid-solid interface during resolidification of a condensed copper-titanium crystal is studied by atomistic simulation. A system of 1080 atoms (540 of each type) was simulated. The interface was created using monte carlo techniques and resolidification was performed by molecular dynamics. Resolidification was attempted at temperatures of 1200 K, 1100 K, 1000 K, 900 K, 818 K and 773 K. The liquid-solid interface was found to move only at 773 K, resulting in a chemically disordered crystal. The interface velocity observed in the simulation is 6.6 m/s which agrees well with the theoretical value of 5.5 m/ …

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First-Order Amplitude For General State-To-State Transitions In Hydrogen By Projectile Impact, Jack C. Straton Feb 1991

First-Order Amplitude For General State-To-State Transitions In Hydrogen By Projectile Impact, Jack C. Straton

Physics Faculty Publications and Presentations

The closed analytic form for bound-state transitions due to projectile impact is found in the intermediate representation. The coordinate integral is obtained by evaluating the remaining two integrals in the general multicenter integral derived previously [J.C. Straton, Phys. Rev. A 41, 71 (1990)]. Evaluating the remaining time integral depends upon relating a sum of modified Bessel functions of the second kind KN+1/2(z) to a simple polynomial in 1/z. The results of Van Den Bos and De Heer [Physica 34, 333 (1967)] are shown to be missing a phase factor of (-i)(l′+l)

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High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker Feb 1991

High-Resolution Photoelectron Spectrometry Study Of Conjugate Shakeup Processes In The Li 1s Threshold Region, B. Langer, J. Viefhaus, Oliver Hemmers, A. Menzel, U. Becker

Environmental Studies Faculty Publications

Partial cross sections and angular-distribution asymmetry parameters of diagram and satellite lines associated with Li 1s photoionization were measured using synchrotron-radiation excitation. Special emphasis was given to a high-resolution study of the 1P and 3P conjugate shakeup satellite lines testing qualitative predictions of the conjugate shakeup model: increasing σ and decreasing β values towards threshold, both being verified. Comparison with recent relaxed Hartree-Fock calculations shows good agreement for the 1P satellite, but demonstrates also that the present theory does not seem to be able to describe the cross-section behavior of the 3P satellite correctly.

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Resistivity And Thermoelectric-Power Measurements Of PrXY1-XBa2Cu3O7-Δ Up To 1200 K And An Electronic-Structure Analysis, B. Fisher, J. Genossar, L. Patlagan, J. Ashkenazi Jan 1991

Resistivity And Thermoelectric-Power Measurements Of PrXY1-XBa2Cu3O7-Δ Up To 1200 K And An Electronic-Structure Analysis, B. Fisher, J. Genossar, L. Patlagan, J. Ashkenazi

Physics Articles and Papers

We report measurements of absolute thermoelectric power and resistivity in PrxY1-xBa2Cu3O7-δ, as function of x and δ, over a wide temperature range. At high temperature, the substitution of Pr for Y does not affect the thermopower and resistivity; Pr behaves then as a trivalent ion: Pr3+. For small x and δ the effects of substitution of Y by Pr and of oxygen deficiency on the low-temperature resistivity are additive. A simple electronic-structure model is proposed to account for thermopower as function of temperature, x, and δ.

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Flux States For The Infinite-U Limit Of The Hubbard Model, S. E. Barnes Jan 1991

Flux States For The Infinite-U Limit Of The Hubbard Model, S. E. Barnes

Physics Articles and Papers

For finite doping, δ, relative to half filling, it is shown, within the confines of a mean-field auxiliary-operator formulation, for the strictly infinite-U, i.e., J=0, limit of the two-dimensional Hubbard model, that the spinons generate a fictitious magnetic flux to which holons are subject and vice versa. For small doping, a flux state is the absolute ground state and has 1-δ=2p/q, where p/q is a rational fraction and the flux per plaquette is Φ=(p/q)Φ0, where Φ0 is the flux quantum. This phenomenon can be viewed upon as an all-electron Peierls instability or as broken statistical symmetry.

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Magnetic-Field-Induced Alignment-To-Orientation Conversion In Sodium, G. W. Schinn, Xianming Han Jan 1991

Magnetic-Field-Induced Alignment-To-Orientation Conversion In Sodium, G. W. Schinn, Xianming Han

Scholarship and Professional Work - LAS

We report a detailed investigation of excited-state alignment-to-orientation conversion in the presence of an external magnetic field. This counterintuitive phenomenon occurs under intermediate-coupling conditions. A weak, linearly polarized, cw laser beam was used to excite and align the Na 3P3/2 state in an atomic beam along the z direction. The degree of circular polarization of the resulting fluorescence was detected along the z direction as a function of magnetic-field strength. The spectrally integrated transitions originating from individual F levels of the 3S1/2 state yield a maximum circular-polarization fraction of ∼40%; integrating the circular polarization over all the allowed 3S1/2-3P3/2 transitions …

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Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly Jan 1991

Fine‐Structure Mixing Within The Zn(43pj) Multiplet By Collisions With The Noble Gases, Xianming Han, J. F. Kelly

Scholarship and Professional Work - LAS

Measurements of rate coefficients for intramultiplet state transfer of Zn(4 3 P 1→4 3 P J’) by collisions with the rare gases are presented. The state‐to‐state binary rate coefficients are derived from least‐squares fittings of the time‐resolved triexponential behavior of the 4 3 P 1fluorescence. These rate coefficients were studied systematically over a temperature range of 690–1100 K in order to characterize the velocity dependence of the collisional coupling. The systematic behavior of the rate coefficients with varying temperature and noble gas species is qualitatively consistent with a nearly adiabatic coupling limit for noncrossing levels.

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Forbidden Lines Of Np^Q Ions. Ii. Line Intensities, J. P. Lynch, Menas Kafatos Jan 1991

Forbidden Lines Of Np^Q Ions. Ii. Line Intensities, J. P. Lynch, Menas Kafatos

Mathematics, Physics, and Computer Science Faculty Articles and Research

Ground state forbidden transitions of np^q ions of C, N, 0, Ne, Mg, Si, S, and Fe can provide important information on the state of cosmic ionized gases. Wavelengths of these lines are in the far- and near-UV visible and near- and far-IR regions of the spectrum. The line intensity ratios of particular transitions in q = 2, 4 ions can provide information on the temperature of the gas and in q = 3 ions information on the density of the gas. In the present work we have tabulated the line intensities of 95 transitions of these ions, which include …

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Direct Determination Of Molecular-Orbital Symmetry Of H2s Using Polarized X-Ray Emission, R. Mayer, Dennis W. Lindle, S. H. Southworth, P. L. Cowan Jan 1991

Direct Determination Of Molecular-Orbital Symmetry Of H2s Using Polarized X-Ray Emission, R. Mayer, Dennis W. Lindle, S. H. Southworth, P. L. Cowan

Chemistry and Biochemistry Faculty Research

X-ray emission from the molecule H2S is strongly polarized following excitation of a sulfur K-shell electron to an unoccupied subthreshold molecular orbital with a polarized x-ray beam. Changes in the polarization of the emission spectrum are observed as the incident beam's energy is swept across the subthreshold absorption resonance. The previously unresolved absorption resonance is shown experimentally to be primarily associated with a molecular orbital of b2 symmetry, but with a high-excitation-energy component due to an orbital with a1 symmetry. Satellite emission intensity is shown to depend on the primary photon energy and is therefore associated …

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A Computer Model Of A Co2 Oscillator-Amplifier System, William F. Anderson Dec 1990

A Computer Model Of A Co2 Oscillator-Amplifier System, William F. Anderson

Theses and Dissertations

An existing CO2 laser amplifier simulation model developed for use on IBM-compatible personal computers has been improved through the redesign and addition of supplemental procedures from several models. The models and selected procedures which form the basis of the improved model are described. One procedure calculates the pumping rates of CO2 and N2 through calculation of the Boltzmann equation. Another procedure calculates the average vibrational temperatures of C2's vibrational modes. A third procedure replaces the Runge- Kutta integrator used in the original model with a faster, more accurate Adams- Bashforth-Moulton predictor-corrector integrator.

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Analysis Of Space Radiation Effects In Gallium Arsenide And Cadmium Selenide Semiconductor Samples Using Luminescence Spectroscopic Techniques, Brad Lee Shaffer Dec 1990

Analysis Of Space Radiation Effects In Gallium Arsenide And Cadmium Selenide Semiconductor Samples Using Luminescence Spectroscopic Techniques, Brad Lee Shaffer

Theses and Dissertations

Analysis of space radiation effects in gallium arsenide and cadmium selenide semiconductor samples using luminescence spectroscopic techniques. The M0006 semiconductor samples were placed into a 28.5 degree inclination, 480 km altitude, near-circular orbit aboard the Long Duration Exposure Facility satellite and exposed to direct space environment for a period of 11 months, and were shielded by 0.313 inches of aluminum for another 58 months. The samples were examined for changes using cathodoluminescence and photoluminescence in various wavelength regions from 0.5 to 1.8 microns. Samples were cooled to approximately 10 degrees Kelvin in a vacuum of 10-8.

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Dynamic Origin Of Non-Abelian Berry's Phase Effects In A Simple Atomic System, Martin K. Ligare Nov 1990

Dynamic Origin Of Non-Abelian Berry's Phase Effects In A Simple Atomic System, Martin K. Ligare

Faculty Journal Articles

The full effect of adiabatically varying Hamiltonians on systems prepared in eigenstates of the stationary Hamiltonian often includes geometric Berry's phases. For degenerate systems these effects may result in transitions between distinct degenerate eigenstates that can be described in terms of a non-Abelian gauge potential. I demonstrate the explicit dynamic origin of such transitions between degenerate angular-momentum sublevels in an atom that is subject to collinear electric and magnetic fields that rotate adiabatically. The origin of the effects becomes clear when eigenstates of the total Hamiltonian, which includes the rotating fields, are calculated. The total Hamiltonian removes the degeneracy, and …

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Effects Of Quantum Noise On A Two-Level System In A Single-Mode Cavity, Linda L. Vahala Aug 1990

Effects Of Quantum Noise On A Two-Level System In A Single-Mode Cavity, Linda L. Vahala

Electrical & Computer Engineering Faculty Publications

The effects of quantum noise on a two-level system in the bad-cavity regime are considered perturbatively in the form of closure at the pair-correlation level. It is found that pair-correlation effects can reduce the level of semiclassical chaos. However, under the rotating-wave approximation (RWA), quantum noise can lead to chaos if there is an initial population inversion, while the full RWA Hamiltonian system remains integrable.

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Argon-Photoion–Auger-Electron Coincidence Measurements Following K-Shell Excitation By Synchrotron Radiation, Jon C. Levin, C. Biedermann, N. Keller, L. Liljeby, C.-S. O, R. T. Short, Ivan A. Sellin, Dennis W. Lindle Aug 1990

Argon-Photoion–Auger-Electron Coincidence Measurements Following K-Shell Excitation By Synchrotron Radiation, Jon C. Levin, C. Biedermann, N. Keller, L. Liljeby, C.-S. O, R. T. Short, Ivan A. Sellin, Dennis W. Lindle

Chemistry and Biochemistry Faculty Research

Argon photoion spectra have been obtained for the first time in coincidence with K-LL and K-LM Auger electrons, as a function of photon energy. The simplified charge distributions which result exhibit a much more pronounced photon-energy dependence than do the more complicated noncoincident spectra. In the near-K-threshold region, Rydberg shakeoff of np levels, populated by resonant excitation of K electrons, occurs with significant probability, as do double-Auger processes and recapture of the K photoelectron through postcollision interaction.

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Reduced Form For Coulomb-Wave Multicenter Integrals, Jack C. Straton Jul 1990

Reduced Form For Coulomb-Wave Multicenter Integrals, Jack C. Straton

Physics Faculty Publications and Presentations

In a previous paper [J. C. Straton, Phys. Rev. A 41, 71 (1990)] an integro-differential transform was introduced and utilized to obtain the analytically reduced form for multicenter integrals composed of general-state hydrogenic orbitals, Yukawa or Coulomb potentials, and plane waves. The present paper extends this result to include Coulomb waves.

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All-Electronic Peierls Instability In The Infinite-U Mean-Field Theory For The Hubbard Model, S. E. Barnes Jan 1990

All-Electronic Peierls Instability In The Infinite-U Mean-Field Theory For The Hubbard Model, S. E. Barnes

Physics Articles and Papers

It is shown, for a small hole doping relative to half filling, that the large-U limit of the Hubbard model (or J=0 limit of the t-J model) exhibits an all-electron Peierls instability towards a state with a charge-density wave. The resulting gap in the spinon spectrum renders the model an insulator.

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Spin-Disordered Ground State For A Nearly Half-Filled Hubbard Model, S. E. Barnes Jan 1990

Spin-Disordered Ground State For A Nearly Half-Filled Hubbard Model, S. E. Barnes

Physics Articles and Papers

Following Nagaoka, the ground state of the large-U nearly half-filled Hubbard model is ‘‘ferromagnetic.’’ However, because of the anisotropic exchange energy JA, the physical Nagaoka ground state is nondegenerate and comprises a totally disordered spin state, i.e., a linear combination of all possible spin arrangements. For this ground state the susceptibility is Pauli-like but of a magnitude associated with a narrow band of width ∼JA while the holons, i.e., the charge excitations, correspond to spinless fermions with a band of width 2zt. Associated with the spinon sector are very poorly defined spin waves, i.e., bosons, with a …

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Differential, Partial Cross Sections For Electron Excitation Of The Sodium 3p State, Xianming Han, G. W. Schwinn, A. Gallagher Jan 1990

Differential, Partial Cross Sections For Electron Excitation Of The Sodium 3p State, Xianming Han, G. W. Schwinn, A. Gallagher

Scholarship and Professional Work - LAS

Using a powerful laser-based experimental method, the cross section for electron excitation of Na(3S) atoms to the Na(3P) state has been decomposed into partial components with respect to changes in the spin and angular momentum of the atomic electron, and these partial cross sections are further reduced to their differential character with respect to the electron scattering angle. Partial, differential cross sections are reported for electron collision energies from threshold 2.1 to 3.6 eV, and compared to available calculations.

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Reduced Form For The General-State Multicenter Integral From An Integro-Differential Transform, Jack C. Straton Jan 1990

Reduced Form For The General-State Multicenter Integral From An Integro-Differential Transform, Jack C. Straton

Physics Faculty Publications and Presentations

In a previous paper Gaussian transforms were utilized to obtain the analytically reduced form for the class of multicenter integrals containing a product of hydrogenic orbitals for s states, Yukawa or Coulomb potentials, and plane waves. In the present paper a related transformation is developed for nonspherical functions, leading to the reduced form for multicenter integrals that include hydrogenic orbitals representing states of arbitrary angular momentum.

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High-Velocity Limits For The Ratio Of Double To Single Ionisation Of Helium By Projectiles With Electrons, Y. D. Wang, Jack C. Straton, James H. Mcguire, R. D. Dubois Jan 1990

High-Velocity Limits For The Ratio Of Double To Single Ionisation Of Helium By Projectiles With Electrons, Y. D. Wang, Jack C. Straton, James H. Mcguire, R. D. Dubois

Physics Faculty Publications and Presentations

The ratio of total double to total single ionisation cross sections, R, by high velocity projectiles containing electrons is examined in the first Born approximation. For ionisation of helium by H+, H0 and He0 impact, it is found that t filt H+ < filt Ho < filt Heo . Connection with Bohr's free-collision model for collisions with projectile electrons is given.

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Recoil Distributions In Particle Transfer, James H. Mcguire, Jack C. Straton, W. J. Axmann, T. Ishihara, E. Horsdal Sep 1989

Recoil Distributions In Particle Transfer, James H. Mcguire, Jack C. Straton, W. J. Axmann, T. Ishihara, E. Horsdal

Physics Faculty Publications and Presentations

Classical Thomas peaks in various fast second-order particle transfer processes are quantum mechanically broadened by energy nonconservation in the intermediate states of collision. This quantum broadening is considered in observable velocity distributions of recoil particles.

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Post-Prior Symmetrical First-Order T Matrix For Charge Transfer, Jack C. Straton, M. D. Girardeau Sep 1989

Post-Prior Symmetrical First-Order T Matrix For Charge Transfer, Jack C. Straton, M. D. Girardeau

Physics Faculty Publications and Presentations

The Fock-Tani Hamiltonian is found for systems containing two protons and one electron. It is shown that a post-prior symmetrical T-matrix element for a+ + (b+ c-)→(a+ c-)+b+ may be found from that of the simpler proton-proton-electron system if a and b are treated as isospin projections of a single type of nucleon. The Coulomb-exchange contribution to the inelastic (isospin flip) scattering of this system gives a first-order T matrix that is completely symmetrical with respect to post and prior interactions and orthogonalizations, a symmetry of the exact …

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Analytically Reduced Form For The Class Of Integrals Containing Multicenter Products Of 1s Hydrogenic Orbitals, Coulomb Or Yukawa Potentials, And Plane Waves, Jack C. Straton May 1989

Analytically Reduced Form For The Class Of Integrals Containing Multicenter Products Of 1s Hydrogenic Orbitals, Coulomb Or Yukawa Potentials, And Plane Waves, Jack C. Straton

Physics Faculty Publications and Presentations

The class of integrals containing the product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials with m plane waves is investigated analytically. The results obtained by Straton (1989) are extended and generalized. It is shown that the dimensionality of the entire class can be reduced from 3m to M+N-1.

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Fourier Transform Of The Multicenter Product Of 1s Hydrogenic Orbitals And Coulomb Or Yukawa Potentials And The Analytically Reduced Form For Subsequent Integrals That Include Plane Waves, Jack C. Straton May 1989

Fourier Transform Of The Multicenter Product Of 1s Hydrogenic Orbitals And Coulomb Or Yukawa Potentials And The Analytically Reduced Form For Subsequent Integrals That Include Plane Waves, Jack C. Straton

Physics Faculty Publications and Presentations

The Fourier transform of the multicenter product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials is given as an (M+N-1)-dimensional Feynman integral with external momenta and shifted coordinates. This is accomplished through the introduction of an integral transformation, in addition to the standard Feynman transformation for the denominators of the momentum representation of the terms in the product, which moves the resulting denominator into an exponential. This allows the angular dependence of the denominator to be combined with the angular dependence in the plane waves.

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Application Of The Linear Muffin-Tin-Orbital Band-Structure Method To Calculate Optical Properties Of Solids, R. Zemach, J. Ashkenazi, E. Ehrenfreund Jan 1989

Application Of The Linear Muffin-Tin-Orbital Band-Structure Method To Calculate Optical Properties Of Solids, R. Zemach, J. Ashkenazi, E. Ehrenfreund

Physics Articles and Papers

Optical matrix elements have been derived for crystals by applying the theory of optical transitions within the formalism of the linear muffin-tin-orbital band-structure method and using Racah algebra. A Brillouin-zone integration by the tetrahedron method allows straightforward numerical computation of the optical function ε2(ω) [or σ(ω)]. Other optical functions may be derived by using a Kramers-Kronig analysis.

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Calculation Of Optical Properties Of Trans-Polyacetylene By The Linear Muffin-Tin-Orbital Method, R. Zemach, J. Ashkenazi, E. Ehrenfreund Jan 1989

Calculation Of Optical Properties Of Trans-Polyacetylene By The Linear Muffin-Tin-Orbital Method, R. Zemach, J. Ashkenazi, E. Ehrenfreund

Physics Articles and Papers

The basic optical properties of trans-(CH)x in the P21/n and the P21/a space groups are derived from first principles. The relevant optical matrix elements are calculated within the self-consistent linear muffin-tin-orbital band-structure method. The derived optical response functions are compared with the results from a variety of optical as well as electron-energy-loss experimental studies. It is shown that the measured optical constants are consistent with the P21/n structure.

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Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Ashkenazi Et Al. Reply, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb Jan 1989

Ground State Of Trans-Polyacetylene And The Peierls Mechanism - Ashkenazi Et Al. Reply, J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, S. R. Chubb

Physics Articles and Papers

Ashkenazi et al. reply to Original Article: J. Ashkenazi, W. E. Pickett, H. Krakauer, C. S. Wang, B. M. Klein, and S. R. Chubb, Ground state of trans-polyacetylene and the Peierls mechanism, Physical Review Letters 62, 2016 (1989).

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