Digital Commons Network^™

Determination Of Dissociation Energies And Thermal Functions Of Hydrogen‐Bond Formation Using High Resolution Ftir Spectroscopy, B. A. Wofford, M. E. Eliades, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

A technique which employs high resolution Fourier transform infrared spectroscopy is demonstrated for evaluation of hydrogen bonddissociation energiesD ₀ and D _e . Results for HCN‐‐HF give a D ₀=20.77(22) and D _e =28.77(45) kJ/mol which are compared with previously determined values obtained from microwave absolute intensity measurements and a b i n i t i o molecular orbital calculations. Rovibrational band information available for HCN‐‐HF also permits evaluation of thermal functions of dimer formation in kJ/mol: ΔU ^○ _298.2 =20.1(2), ΔH ^○ _298.2 =22.6(2), ΔG ^○ _298.2 =59.4(2), ΔS ^○ _298.2 =−0.1235.

Molecular Dynamics In Hydrogen‐Bonded Interactions: A Preliminary Experimentally Determined Harmonic Stretching Force Field For Hcn‐‐‐Hf, B. A. Wofford, Shannon Lieb, J. W. Bevan

Scholarship and Professional Work - LAS

Observation of the 2ν₁ overtone band in the hydrogen‐bonded complex HCN‐‐‐HF permits evaluation of the anharmonicity constant X _{1 1}=−116.9(1) cm^{− 1} and determination of the anharmonicity corrected fundamental frequency ω₁. This information, and available data from previous rovibrational analyses in the common and perdeuterated isotopic species of HCN‐‐‐HF, offer an opportunity for calculation of an approximate stretching harmonic force field. With the assumptions f _{1 2}=f _{2 4}=0.0, the remaining force constants (in mdyn/Å) are evaluated as: f _{1 1}=8.600(20), f _{2 2}=6.228(9), f _{3 3}=19.115(40), f _{4 …}

Electron Correlation Effects In Nonresonant Multiphoton Ionization Processes, Anthony F. Starace

Anthony F. Starace Publications

The role of electron correlations in nonresonant multiphoton processes of atoms is presented. The evidence for the validity of a lowest order perturbation theory (LOPT) approach for the laser field in the case of nonresonant processes is sketched. The growing consensus for a LOPT interpretation of even the multiply-charged ion spectra obtained with high intensity lasers is reviewed. Finally, a review of those specific electron correlation processes within LOPT that are important for the quantitative prediction of two-photon ionization cross sections is presented and some of their effects on calculated generalized cross sections are exhibited.

Test Of Quasiclassical Theories Of Redistribution In Atomic Collisions, Ronald James Bieniek

Physics Faculty Research & Creative Works

The first numerical tests, for a real system, of the Quasi classical description of redistribution of polarized radiation through atomic collisions are presented. Polarization results are reported for red-wing redistribution of Sr (1S0 1P1) in the presence of Ar colliders. They compare favorably to recent quantal, nonadiabatic computations. It is shown that the effects of bent trajectories are important. Modified Quasi classical formulas to account for some of these are presented and tested. The results indicate that Quasi classical analysis can be used to probe the transformation from molecular to atomic states as atoms separate in a half-collision. © 1987 …

Parametric Equation Of State For The N-Vector Model And Polymers, Rolfe G. Petschek

Faculty Scholarship

We introduce a new parametric form for the scaling equation of state of the n-vector model of magnetism correct to first order in μ=4-d. It is based on the equation of state of Schaaumlfer and Horner in a general parametric form proposed earlier by Schofield, Litster, and Ho. We integrate it to obtain the scaling part of the free energy F(T,H) of the n-vector model, correct to order μ, for general n. We use it to discuss the behavior of polymer solutions and equilibrium polymerization. This equation of state of the n0, T

Evaluation Of The Reduction Of The Nonadiabatic Hyperspherical Radial Equation To The First Order, Steven L. Carbon

Retrospective Theses and Dissertations

In this paper we examine the effectiveness of reducing the second order radial equation, of the hyperspherical coordinate solution to the two-electron Schrodinger equation, into a set of coupled first order linear equations as suggested by Klar. All results have been obtained in a completely nonadiabatic formalism thereby ensuring accuracy. We arrive at the conclusion that our application of the reduction process is in some way inconsistent and suggest a possible resolution to this anomaly.

Hydrodynamic Fluctuations In A Fluid Under Constant Shear, Alejandro Garcia, M. Malek Mansour, G. Lie, E. Clementi, M. Mareschal

Faculty Publications

No abstract provided.

Fluctuating Hydrodynamics In A Dilute Gas, Alejandro Garcia, G. Lie, E. Clementi

Faculty Publications

Hydrodynamic fluctuations in a dilute gas subjected to a constant heat flux are studied by both a computer simulation and the Landau-Lifshitz formalism. The latter explicitly incorporates the boundary conditions of the finite system, thus permitting quantitative comparison with the former. Good agreement is demonstrated.

Oxidation Kinetics Of Polycrystalline Lacro3, Chikung J. Yu, Don M. Sparlin, Harlan U. Anderson

Physics Faculty Research & Creative Works

The oxidation kinetics of polycrystalline LaCrO3 were determined by measuring the time and temperature dependence of the weight and conductivity change of reduced samples. A region of fast diffusion followed by a smaller, slower diffusion "tail" was observed in the thermogravimetric measurements. This observation can be interpreted as the rapid diffusion along the grain boundaries and subsequent diffusion into the body of the grain. The absence of the "tail" in the conductivity measurements is due to the high hole mobility along the boundaries. Copyright © 1987, Wiley Blackwell. All rights reserved.

Comment On "Orientation, Alignment, And Hyperfine Effects On Dissociation Of Diatomic Molecules To Open Shell Atoms", Mark D. Havey, Linda L. Vahala

Electrical & Computer Engineering Faculty Publications

A recent paper in this journal [Y. B. Band e t a l., J. Chem. Phys. 8 4, 3762 (1986)] reported parameters describing orientation and alignment produced, in an axial recoil limit, by one photondissociation of diatomic molecules. Reported also were values, applicable to the resonance transitions of the alkali atoms, for orientation and alignment depolarization coefficients. Most of the numerical values reported for the coefficients were incorrect, in some cases by as much as a factor of 2. We report a tabulation of correct depolarization coefficients applicable to the resonance transitions of common alkali isotopes. Further, the coefficients …

Positronium Formation From Li And Na Atoms By Use Of Pseudopotential, Sultana N. Nahar, J M. Wadehra

Physics and Astronomy Faculty Research Publications

The differential and total cross sections for the formation of positronium in its ground state from Li and Na atoms by the impact of intermediate-energy positrons are calculated in the first Born and distorted-wave Born approximations. Hellmann-type pseudopotentials are used to represent the alkali-metal ion cores. The difference in the use of pseudopotentials and the static potential for the core representation for evaluating various rearrangement cross sections is discussed.

A Criterion For Vortex Breakdown, R. E. Spall, T. B. Gatski, C. E. Grosch

CCPO Publications

A criterion for the onset of vortex breakdown over a wide range of the Reynolds number is proposed. Based upon previous experimental, theoretical, and numerical studies, as well as a new numerical study, an appropriately defined local Rossby number is used to delineate the region where breakdown occurs. Comparisons are made with previously suggested criticality parameters and the unique features of the proposed Rossby number parameter are shown. A number of previous theoretical studies concentrating on inviscid standing‐wave analyses for trailing wing‐tip vortices are reviewed and reinterpreted, along with the previous numerical and experimental studies, in terms of the Rossby …

Search For The S Meson In Antiproton-Proton Interactions, William J. Fickinger, R. Marino, D. K. Robinson

Faculty Scholarship

The interaction between antiprotons and protons has been studied in the range 1910 to 1990 MeV center-of-mass energy in a drift-chamber experiment at the Brookhaven Alternating Gradient Synchrotron. The total cross section has been determined at eleven different incident momenta, and the elastic cross section between 8 and 30 deg in the laboratory has been measured with an energy resolution of about 5 MeV. The cross section for annihilation into charged mesons has also been measured, with the same resolution. There is no evidence in any of these channels for the existence of a narrow resonance.

Photorefraction In Batio3, Stephen Ducharme

Stephen Ducharme Publications

This thesis summarizes the results of experimental investigations of the photorefractive properties of melt-grown BaTiO₃ single crystals. Three basic photorefractive material properties are studied: (1) the effective density of photorefractive charges, (2) the photoconductivity of the photorefractive charges, and (3) the relative contributions of electron and hole photoconduction. Volume holographic measurement techniques are used: two-beam energy coupling, four-wave mixing, and erasure of volume holograms. The photorefractive properties were altered experimentally by chemically reducing or oxidizing a BaTiO₃ crystal. I have extended the “hopping conduction” model of photorefractive transport to include simultaneous electron and hole photoconduction. The extension of …

Photoconductivity Parameters In Lithium Niobate, Robert Gerson, J. F. Kirchhoff, L. E. Halliburton, D. A. Bryan

Physics Faculty Research & Creative Works

Measurements on a variety of doped (magnesium and/or iron) and undoped lithium niobate crystals in the oxidized state demonstrate an Arrhenius dependence of dark conductivity on reciprocal temperature between 460 and 590 K. All of the crystals had roughly the same conductivity and activation energy (1.21 eV) over the temperature range, implying that all have about the same free-carrier concentration and mobility. The enhanced photoconductivity of magnesium-doped lithium niobate is attributed to a greatly reduced trapping cross section of Fe³⁺ for electrons, the smaller cross section being due to a changed substitutional site for Fe³⁺. The Fe …

The Radial Distribution Of Dose Around The Path Of A Heavy Ion In Liquid Water, M. P. R. Waligorski, R. N. Hamm, Robert Katz

Robert Katz Publications

Monte Carlo calculations of the radial distribution of dose in liquid water, incorporating energy deposition due to primary excitations and ionizations, have been performed for protons of energy 1, 10, 20, 50, and 100 MeV. By combining these results with earlier semi-empirical formulae used in track structure theory calculations, a corrected analytic formulation has been developed which on radial integration closely reproduces the value of stopping power for protons in the energy range 0.1–1000 MeV. After including a β-dependent ‘effective charge’ formula, this corrected formulation is tested against all published measurements of radial distribution of dose from energetic ions in …

Experimental Test Of Higher-Order Electron-Capture Processes In Collisions Of Fast Protons With Atomic Hydrogen, Hans G. Vogt, Reinhold S. Schuch, Edson L B Justiniano, Michael Schulz, W. Schwab

Physics Faculty Research & Creative Works

We present measurements of the angular distribution of fast hydrogen atoms formed by electron capture of 2.8- and 5.0-MeV protons in atomic hydrogen. In the angular region of the Thomas peak (0.47 mrad) the experimental results obtained with this pure three-body collision system are in reasonable agreement with a strong-potential Born calculation and the impulse approximation, but not with other higher-order theories.

Thin-Film Beam Splitter That Reflects Light As A Half-Wave Retarder And Transmits It Without Change Of Polarization: Application To A Michelson Interferometer, R. M.A. Azzam

Electrical Engineering Faculty Publications

The refractive index n₁ of a transparent layer of quarter-wave optical thickness coating a transparent substrate of refractive index n₂ can be chosen to produce half-wave retardation (HWR) in reflection and no change of polarization in refraction at any angle of incidence ø. The function n₁(ø, n₂), and the associated polarization-independent reflectance of the film-substrate system R(ø, n₂) are determined. Such a coated surface can be used as a beam splitter with excellent characteristics (e.g., split fractions that do not depend on source polarization, a split beam whose polarization is identical …

First-Principles Theoretical Explanation Of Incommensurate Behavior In Rbznc4, V. Katkanant, P. J. Edwardson, John R. Hardy, L. L. Boyer

John R. Hardy Papers

We have carried out an ab initio theoretical study of the potential energy and molecular dynamics of Rb₂ZnCl₄. These calculations demonstrate that the incommensurate transition in this compound is caused by the relaxation of imperfect-hexagonal spirals of highly unstable ZnCl₄^2- ions. This leads to angstrom-size displacements with essentially zero energy change. We argue that such "latent" (or imperfect) symmetry could be the general cause of incommensurate transitions in insulators.

Multicritical Points In An Ising Random-Field Model, Miron Kaufman, Philip E. Klunzinger, A. Khurana

Physics Faculty Publications

The phase diagram of the mean-field Ising model in a random field obeying a symmetric three-peak distribution is determined. This distribution is relevant to diluted antiferromagnets in a uniform magnetic field. The phase diagram includes a fourth-order point, tricritical points, ordered critical points, critical end points, and a double critical end point. An ordered phase persists for arbitrarily large random fields at low temperatures.

Experimental Fine-Structure Branching Ratios For Na-Rare-Gas Optical Collisions, Mark D. Havey, F. T. Delahanty, Linda L. Vahala, Gary E. Copeland

Electrical & Computer Engineering Faculty Publications

Experimental ratios for branching into the fine-structure levels of the Na 3p multiplet, as a consequence of an optical collision with He, Ne, Ar, Kr, or Xe, are reported. The process studied is Na(3s²S_1/2)+R+nhNNa(3^p2P_j)+R+(n-1)_hN, where R represents a rare-gas atom and where the laser frequency N is tuned in the wings of the Na resonance transitions. The branching ratios are defined as I(D1)/I(D2) where I(D1) and I(D2) are measured intensities of the atomic Na D1 and D2 lines. The ratios are determined for detunings ranging from about 650 …

General Results On Glueball Masses In Qcd, I. J. Muzinich, V. Parameswaran Nair

Publications and Research

A number of authors have investigated mass inequalities for mesons and baryons in QCD. These provide rigorous nonperturbative constraints on the mass spectrum. Similar inequalities for glueballs are investigated. For nonzero spin J, in the large-N_c approximation, m_J ^- ⩾ m_J⁺ is found. (For J = 0, the existence of a gluon condensate can modify this statement.) There are also constraints on how fast m_J can grow with J. For example, for m_J = a + bJ^α, 0 ⩽ α ⩽ 1 is found, a result consistent with Regge behaviour.

Equilibrium Polymerization Of Chains And Rings: A Bicritical Phenomenon, Rolfe G. Petschek

Faculty Scholarship

The equilibrium polymerization of chains and rings together is a (n=1) critical phenomenon with aspects of bicriticality, governed by exponents not found in any symmetric O(n) model. The bicritical nature of the critical point is the result of a competition between a transition to form long-chain polymers and a transition to form an infinite-rings condensate. As a result the fraction of monomers incorporated in chains and in rings varies with temperature according to a different power law than that for the total fraction of polymerized material and is governed by an exponent that depends on the crossover exponent φfor …

New Insights Into Mott-Scattering Electron Polarimetry, G. D. Fletcher, Timothy J. Gay, M. S. Lubell

Timothy J. Gay Publications

In order to understand some of the systematic effects associated with conventional Mottscattering electron polarization measurements, we analyzed asymmetry data obtained with 94-keV polarized electrons scattered at 120° from gold-foil targets ranging in thickness from 27 to 62 μg/cm2. Based upon an examination of the influence of multiple and plural scattering, we conclude that the precision of such Mott measurements is fundamentally limited by an experimental uncertainty of greater than ±2.5% and an absolute uncertainty of approximately ±5%, considerably worse than is customarily assumed. We believe that similar conclusions can be drawn for measurements made with “compact” cylindrical and spherical …

Further Studies On Purification Of A Mannitol Binding Protein: Use Of Ph Gradients For Elution From Cation Exchange Resin, Kristyne Ann Baumgarten

Masters Theses

Studies on the purification of a mannitol binding protein (MBP) from Pseudomonas aeruginosa PAO were performed. Utilizing the alkaline isoelectric point (pi 8.3) of MBP, pH gradients were used to elute MBP from carboxymethylcellulose cation exchange resins. Purification of MBP was monitored by sodium dodecyl sulfate-polyacrylam ide gel electrophoresis (SDS-PAGE). Only one protein band was seen on SDS-PAGE from MBP fractions elutedat pH 7-8 and 8 .2. Although pH gradients appear to give good purification from cation exchange resins, these procedures lead to loss of MBP activity.

A Study Of Classical Elastic Scattering For Heavy-Ion Nuclear Reactions, John C. Orrison

Masters Theses

Numerical computer programs were developed to calculate the classical elastic scattering orbits, deflection functions and differential scattering cross-sections for a heavy-ion nuclear reaction model.

Critical points of the deflection functions and differential scattering cross-sections were examined.

Semiclassical modifications were developed for future study to account for the phase relation between independent orbits that lead to the same scattering direction.

Universality Classes For The Isotropic-To-Nematic Transition In Systems Of Interacting, Semiflexible Polymers, Rolfe G. Petschek

Faculty Scholarship

This paper discusses the behavior of simple models of interacting, semiflexible, nonchiral polymers. The Ursell-Mayer expansion is used to systemize calculation of the properties of such systems and avoid problems encountered with the strong, bonding interactions in a direct analysis of this problem. The formation of a nematic phase is discussed within a field theory which is equivalent, order by order in perturbation theory, to the Ursell-Mayer expansion. Symmetry analysis allows two universality classes; one has the usual, tensor order parameter, the other has a vectorlike order parameter. The vectorlike order parameter has no direct physical interpretation (distinguishing the transition …

Science And Society Test Ix: Technical Means Of Verification, David W. Hafemeister

Physics

Technical means of monitoring are used to verify compliance to arms control treaties. Numerical estimates are developed in order to quantify some aspects of (1) nuclear testing (signatures, optical double pulse calibration, decoupling in cavities, and high-frequency components in seismic signals), (2) optical reconnaissance (films versus CCDs, air turbulence, adaptive optics, and digital image processing), (3) infrared (resolution and detection sensitivity), and (4) radar (synthetic aperture and missile coefficient).

Surface-Reconstruction-Induced Changes In Free-Carrier Scattering From The W(100) Surface: Aninfrared Surface-Electromagnetic-Wave Study, D. Mark Riffe, L. M. Hanssen, A. J. Sievers

All Physics Faculty Publications

Using the infrared-absorption technique of surface-electromagnetic-wave spectroscopy (SEWS) we have studied the effects of H₂ and D₂ chemisorption on the SEW attenuation coefficient α in the 10-μm region between 165 and 350 K. The change in α at room temperature has also been measured for N₂, O₂, and CO adsorption. The coverage (CTHETA) dependence of α for N₂, O₂, and CO is fairly simple [either a monotonic increase (N₂) or a peak at some intermediate coverage (O₂, CO)] and points to changes in free-carrier (FC) surface …

Observation Of Resonant Tunneling In Silicon Inversion Layers, A. B. Fowler, G. L. Timp, J. J. Wainer, Richard A. Webb

Faculty Publications

Measurements of the temperature and carrier-density dependence of the strongly localized conductance of short silicon inversion layers are reported. At the lowest temperatures we observe well-isolated, large conductance peaks whose width and temperature dependence are only consistent with resonant tunneling and are inconsistent with Mott hopping. Several new features are observed which we believe may be the result of Coulomb interactions.