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Articles 1591 - 1620 of 1826

Full-Text Articles in Chemistry

The Effect Of Aluminium Oxide And Cerium Oxide As Dispersoids In Chitosan-Lithium Acetate Complexes, Hoi Mien Leow Jan 2001

The Effect Of Aluminium Oxide And Cerium Oxide As Dispersoids In Chitosan-Lithium Acetate Complexes, Hoi Mien Leow

Student Works (2000-2009)

In this study, chitosan with 85% deacetylation was used with Ni(OAc)₂·2H₂O as doping salt and Al₂O₃, or CeO₂ as dispersoid. They were mixed in certain weight percentages and dissolved in 100ml of 0.5% acetic acid solution. These solutions were poured into petri dishes and left at room temperature for film formation. Infrared Spectroscopy has shown that there is interaction between chitosan and LiOAc with and without dispersoid. The peaks are shifted. broadened. split and differs in intensity. The electrical conductivity of all samples was calculated using the bulk resistance value obtained from the complex admittance plot. The highest electrical conductivity …


Infared Spectroscopy And Electrical Conductivity Of Copper(Ii) Cinnamate And Iodine-Doped Copper(Ii) Cinnamate, Kumar Krishnan Jan 2001

Infared Spectroscopy And Electrical Conductivity Of Copper(Ii) Cinnamate And Iodine-Doped Copper(Ii) Cinnamate, Kumar Krishnan

Student Works (2000-2009)

Copper(II) cinnamate (CC) was prepared from copper(II) acetate monohydrate and cinnamic acid. It was a light-blue powder. The Fourier Transform Infrared (FTIR) spectrum of CC, recorded as potasium bromide (K.Br) disc, indicated the presence of all bonds and functional groups expected of it and showed that it exist as an equal mixture of cis- and trans- isomers. The conductivity of CC at room temperature was 5.22 x 10⁻¹¹Scm⁻¹. It showed metallic behaviour in the temperature range 78-300 K, and its conduction mechanism obeyed Mott's variable range hopping (VRH) model in the same temperature range. The density of states at Fermi …


Electronic Structures And Magnetism Of Lani₅₋ₓfeₓ Compounds, Jinbo Yang, Chiu-Ying Tai, G. K. Marasinghe, George Daniel Waddill, Oran Allan Pringle, William Joseph James Jan 2001

Electronic Structures And Magnetism Of Lani₅₋ₓfeₓ Compounds, Jinbo Yang, Chiu-Ying Tai, G. K. Marasinghe, George Daniel Waddill, Oran Allan Pringle, William Joseph James

Physics Faculty Research & Creative Works

A systematic study of the magnetic moments and hyperfine interactions of the LaNi5-xFex compounds was performed using the spin-polarized tight-binding-linear-muffin-tin-orbital methods (TBLMTO). The calculated results were compared with neutron diffraction and Mössbauer experimental data and found to be in good agreement. Fe atoms exhibit more localized magnetic moments in LaNi5-xFex when the Fe content x is lower than 1.0. The calculated magnetic moments of the Fe atoms approach values as large as 2.5μB due to the dilution effect. The strong s-d hybridization between the Ni and La atoms and the neighboring Fe in …


Structural, Electronic, And Magnetic Properties Of Lani₅₋ₓtₓ (T = Fe, Mn) Compounds, Jinbo Yang, Chiu-Ying Tai, G. K. Marasinghe, George Daniel Waddill, Oran Allan Pringle, William Joseph James, Y. Kong Jan 2001

Structural, Electronic, And Magnetic Properties Of Lani₅₋ₓtₓ (T = Fe, Mn) Compounds, Jinbo Yang, Chiu-Ying Tai, G. K. Marasinghe, George Daniel Waddill, Oran Allan Pringle, William Joseph James, Y. Kong

Physics Faculty Research & Creative Works

Structures and magnetic properties of the LaNi5-xFex and LaNi5-xMnx compounds have been investigated using neutron diffraction and first-principles tight-binding-linear-muffin-tin-orbital methods. Both neutron diffraction refinement data and total energy calculations show that the Fe and Mn atoms preferentially occupy the 3g sites in the hexagonal CaCu5-type structure. The calculated magnetic moments of Fe and Ni atoms are of 2.4-2.5μB and 0.2-0.5μB in LaNi5-xFex, respectively. The magnetic structure exhibits more localized moments at Fe atoms in LaNi5-xFex when x ≤ 1.0. Electronic structure calculations indicate …


Order-Disorder Phase Transitions In Kno2 , Csno2, And Tlno2 Crystals: A Molecular Dynamics Study, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, Jianjun Liu, M. M. Ossowski, John R. Hardy Jan 2001

Order-Disorder Phase Transitions In Kno2 , Csno2, And Tlno2 Crystals: A Molecular Dynamics Study, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, Jianjun Liu, M. M. Ossowski, John R. Hardy

Physics Faculty Publications

The order-disorder phase transitions of KNO2 , CsNO2, and TlNO2 have been studied using parameter-free molecular dynamics simulation. It is found that the phase transitions in nitrites investigated are driven by the rotations of the NO2 2 ions about different axes together with displacements of cations and anions. We successfully reproduce the high-temperature phases of these nitrites, i.e., the NaCl-like structure for KNO2 and CsCl-like structure for Cs(Tl)NO2. Based on the investigation of the radial distribution function of the cations and anions, we explain why KNO2 and Cs(Tl)NO2 form quite different low-temperature phases.


Synthesis Of A Ruthenium-Tetra(Tht)Dichloride Compound And The Molecular Structure Of The Partially Oxidized Compound Rucl2(Tht)2.2(Tht-O)1.8, L. A. Thornton, Mark Draganjac, Andres Meza, A. W. Cordes Jan 2001

Synthesis Of A Ruthenium-Tetra(Tht)Dichloride Compound And The Molecular Structure Of The Partially Oxidized Compound Rucl2(Tht)2.2(Tht-O)1.8, L. A. Thornton, Mark Draganjac, Andres Meza, A. W. Cordes

Journal of the Arkansas Academy of Science

No abstract provided.


Synthesis And Characterization Of A Ruthenium-Thioxane Complex, Amanda Wroble, Scotty Sproles, Mark Draganjac, Paul M. Nave Jan 2001

Synthesis And Characterization Of A Ruthenium-Thioxane Complex, Amanda Wroble, Scotty Sproles, Mark Draganjac, Paul M. Nave

Journal of the Arkansas Academy of Science

No abstract provided.


Xenon Excimer Emission From Pulsed Microhollow Cathode Discharges, M. Moselhy, R. H. Stark, K. H. Schoenbach, U. Kogelschatz Jan 2001

Xenon Excimer Emission From Pulsed Microhollow Cathode Discharges, M. Moselhy, R. H. Stark, K. H. Schoenbach, U. Kogelschatz

Bioelectrics Publications

By applying electrical pulses of 20 ns duration to xenon microplasmas, generated by direct current microhollow cathode discharges, we were able to increase the xenon excimer emission by more than an order of magnitude over direct current discharge excimer emission. For pulsed voltages in excess of 500 V, the optical power at 172 nm was found to increase exponentially with voltage. Largest values obtained were 2.75 W of vacuum-ultraviolet optical power emitted from a single microhollow cathode discharge in 400 Torr xenon with a 750 V pulse applied to a discharge. Highest radiative emittance was 15.2 W/cm2. The …


Evidence Of Nanostructure In Multilayer Cdse Thin Films, Suganthi Devadason Jan 2001

Evidence Of Nanostructure In Multilayer Cdse Thin Films, Suganthi Devadason

Student Works (2000-2009)

Cadmium Selenide multilayer thin films have been prepared using physical vapour deposition method. Alternate layers of Cadmium and Selenium are deposited on unheated glass substrates. Morphological study of the samples has been done using SEM micrographs with a magnification of 5000. The EDX analysis gives the quantitative atomic percentage content of elements present in the samples. It is found that the high Cadmium content in the samples increased the crystallinity. From XRD measurements, it is evident that many films are polycrystalline in nature with a peak corresponding to < 111 > plane orientation of the zinc blende structure. The lattice constant of the …


Photoelectron Spectroscopy And The Dipole Approximation, Oliver Hemmers, Dennis W. Lindle Jan 2001

Photoelectron Spectroscopy And The Dipole Approximation, Oliver Hemmers, Dennis W. Lindle

Environmental Studies Faculty Publications

Over the past three decades, the dipole approximation has facilitated a basic understanding of the photoionization process in atoms and molecules. Advances in gas-phase photoemission experiments using synchrotron radiation have recently highlighted nondipole effects at relatively low photon energies while probing the limits of the dipole approximation. Breakdowns in this approximation are manifested primarily as deviations from dipolar angular distributions of photoelectrons. Detailed new results demonstrate nondipolar angular-distribution effects are easily observable in atomic gases at energies well below 1 keV, and, in molecules, a previously unexpected phenomenon greatly enhances the breakdown of the dipole approximation just above the core-level …


Sulphide Based Materials As Potential Anodes In Lithium Ion Cells, Azlin Sanusi Jan 2001

Sulphide Based Materials As Potential Anodes In Lithium Ion Cells, Azlin Sanusi

Student Works (2000-2009)

Sulphides based compounds PbS and SnS have been studied as possible anode material in lithium ion cell. PbS was prepared by the chemical bath deposition technique and SnS by the double decomposition method. Both samples were characterized by the powder X-ray diffraction technique and energy dispersive analysis of X-rays (EDAX). The room temperature electrical conductivity of PbS is 2.6 x 10⁻⁴ S cm⁻¹ and SnS is 5.3 x 10⁻⁷ S cm⁻¹ while at 90°C the electrical conductivity of PbS is 3.3 x 10⁻⁴ S cm⁻¹ and SnS is 2.90 x 10⁻⁶ S cm⁻¹ Cyclic voltammetry determined the potential anode ability …


Development Of Solid State Uv Detector Using Commercial Tld And Ln2o3:Re3+ (Ln=Y, La, Gd; Re=Tm, Tb, Eu, Er, Pr), Abdullah Mohd. Noh Jan 2001

Development Of Solid State Uv Detector Using Commercial Tld And Ln2o3:Re3+ (Ln=Y, La, Gd; Re=Tm, Tb, Eu, Er, Pr), Abdullah Mohd. Noh

Student Works (2000-2009)

Dosimetry of terrestrial ultraviolet (UV) using thermoluminescence (TL) material is an attractive method for a number of reasons. Such as the low cost per phosphor, the possibility to produce them in laboratory with simple facilities, the absence of any associated electronics at the site of measurement and the small size of solid phosphors which can also be used in personal dosimetry. In this research, we are searching for a suitable lanthanide oxide powder and commercial TLD material that can detect solar UV radiation using intrinsic method. The investigated lanthanide oxide powders include Gd₂O₃, La₂O₃ and Y₂O₃ doped with different rare …


Synthesis And Characterization Of Lithiated Mixed Metal Oxides For Lithium Ion Rechargeable Batteries, Seng Gee Tan Jan 2001

Synthesis And Characterization Of Lithiated Mixed Metal Oxides For Lithium Ion Rechargeable Batteries, Seng Gee Tan

Student Works (2000-2009)

Lilhiated mixed metal oxides for lithium ion rechargeable batteries were prepared by the sol gel technique. Samples consisting of lithium acetate, nickel nitrate, cobalt nitrate, manganese acetate and aluminium fluoride were characterised using X-ray Diffraction (XRD), Differential Scanning Calorimetry (DSC), Fourier Transform Infrared Spectroscopy (FTIRS). Energy Dispersive Analysis of X-rays (EDAX) w1d Cyclic Voltammetry (CV). Thermal characterization shows that the acetates, nitrates and fluorides of precursors material deform at temperature between 50° to 100°C and the products begin to form at a temperature between 264°C to 271°C. FTIR studies show that the materials must be heated for a longer time …


Observation Of Stratospheric Ozone Depletion Associated With Delta Ii Rocket Emissions, Martin N. Ross, Darin W. Toohey, W. T. Rawlins, E. C. Richard, K. K. Kelly, A. F. Tuck, M. H. Proffitt, Donald E. Hagen, Alfred R. Hopkins, Philip D. Whitefield, J. R. Benbrook, W. R. Sheldon Aug 2000

Observation Of Stratospheric Ozone Depletion Associated With Delta Ii Rocket Emissions, Martin N. Ross, Darin W. Toohey, W. T. Rawlins, E. C. Richard, K. K. Kelly, A. F. Tuck, M. H. Proffitt, Donald E. Hagen, Alfred R. Hopkins, Philip D. Whitefield, J. R. Benbrook, W. R. Sheldon

Physics Faculty Research & Creative Works

Ozone, chlorine monoxide, methane, and submicron particulate concentrations were measured in the stratospheric plume wake of a Delta II rocket powered by a combination of solid (NH4ClO4/Al) and liquid (LOX/kerosene) propulsion systems. We apply a simple kinetics model describing the main features of gas-phase chlorine reactions in solid propellant exhaust plumes to derive the abundance of total reactive chlorine in the plume and estimate the associated cumulative ozone loss. Measured ozone loss during two plume encounters (12 and 39 minutes after launch) exceeded the estimate by about a factor of about two. Insofar as only the …


42nd Rocky Mountain Conference On Analytical Chemistry Jul 2000

42nd Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Abstracts from the 42nd annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-sponsored by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Broomfield, Colorado, July 30 - August 3, 2000.


A Magnetic And Crystallographic Study Of (Sm/Gd)₂(Fe/Si)₁₇CZ Solid Solutions, Peter C. Ezekwenna, G. K. Marasinghe, J. H. Nam, William Joseph James, William B. Yelon, M. Ellouze, Ph. I'Héritier May 2000

A Magnetic And Crystallographic Study Of (Sm/Gd)₂(Fe/Si)₁₇CZ Solid Solutions, Peter C. Ezekwenna, G. K. Marasinghe, J. H. Nam, William Joseph James, William B. Yelon, M. Ellouze, Ph. I'Héritier

Chemistry Faculty Research & Creative Works

The crystallographic and magnetic properties of SmyGd2-yFe17-xSix (0 ≤ x ≤ 3 and y = 1 and 1.5) solid solutions and their interstitial carbides have been investigated using x-ray diffraction and magnetic measurements. The SmyGd2-yFe17-xSix samples crystallized in the rhombohedral Th2Zn17 structure with less than 5 mol % of impurities. The unit cells of the mixed rare-earth (R) samples are smaller than those of Sm2Fe17 and Gd2Fe17. The carbided samples contain up to a total of …


The Atomic And Magnetic Structure Of Ndmn(₆₋ₓ)Feₓge₆ Solid Solutions, J. Han, G. K. Marasinghe, William Joseph James, Muguo Chen, William B. Yelon, I. Dubenko, Naushad Ali May 2000

The Atomic And Magnetic Structure Of Ndmn(₆₋ₓ)Feₓge₆ Solid Solutions, J. Han, G. K. Marasinghe, William Joseph James, Muguo Chen, William B. Yelon, I. Dubenko, Naushad Ali

Chemistry Faculty Research & Creative Works

The magnetic and crystallographic properties of induction-melted NdMn(6-x)FexGe6 intermetallics (x = 0, 1.0, and 1.5) in the temperature range of 30-475 K have been studied by x-ray and neutron diffraction techniques and SQUID measurements. All of the samples crystallized in the YCo6Ge6-type structure (P6/mmm). A small amount ( < 5 mol%) of Nd(MnFe)2Ge2 is present as an impurity. As expected, iron replaces manganese at the 3g site. The unit cell volume decreases slightly with increasing iron content at an average rate of 1.3% per substituted atom. Lattice parameters a and c contract at …


Electric-Octupole And Pure-Electric-Quadrupole Effects In Soft X-Ray Photoemission, Andrei Derevianko, Oliver Hemmers, S. Oblad, P. Glans, H. Wang, S. B. Whitfield, R. Wehlitz, I. A. Sellin, W. R. Johnson, Dennis W. Lindle Mar 2000

Electric-Octupole And Pure-Electric-Quadrupole Effects In Soft X-Ray Photoemission, Andrei Derevianko, Oliver Hemmers, S. Oblad, P. Glans, H. Wang, S. B. Whitfield, R. Wehlitz, I. A. Sellin, W. R. Johnson, Dennis W. Lindle

Environmental Studies Faculty Publications

Second-order [O(k2), k = ω/c] nondipole effects in soft-x-ray photoemission are demonstrated via an experimental and a theoretical study of angular distributions of neon valence photoelectrons in the 100–1200 eV photon-energy range. A newly derived theoretical expression for nondipolar angular distributions characterizes the second-order effects using four new parameters with primary contributions from pure-quadrupole and octupole-dipole interference terms. Independent-particle calculations of these parameters account for a significant portion of the existing discrepancy between experiment and theory for Ne 2p first-order nondipole parameters.


Observations Of Particulates Within The North Atlantic Flight Corridor: Polinat 2, September-October 1997, J. D. Paladino, Donald E. Hagen, Philip D. Whitefield, Alfred Raymond Hopkins, Otmar Schmid, M. R. Wilson, Hans Schlager, Peter Schulte Feb 2000

Observations Of Particulates Within The North Atlantic Flight Corridor: Polinat 2, September-October 1997, J. D. Paladino, Donald E. Hagen, Philip D. Whitefield, Alfred Raymond Hopkins, Otmar Schmid, M. R. Wilson, Hans Schlager, Peter Schulte

Physics Faculty Research & Creative Works

This paper discusses particulate concentration and size distribution data gathered using the University of Missouri-Rolla Mobile Aerosol Sampling System (UMR-MASS), and used to investigate the southern extent of the eastern end of the North Atlantic Flight Corridor (NAFC) during project Pollution From Aircraft Emissions in the North Atlantic Flight Corridor/Subsonic Assessment (SASS) Ozone and Nitrogen Oxide Experiment (POLINAT 2/SONEX) from September 19 to October 23, 1997. The analysis presented in this paper focuses on "the corridor effect," or enhancement of pollutants by jet aircraft combustion events. To investigate the phenomena, both vertical and horizontal profiles of the corridor, and regions …


Lifetime Effects On The Dissociation Of Core-Excited N2 And Co Molecules, N. Saito, A. Hempelmann, F. Heiserq, Oliver Hemmers, K. Wieliczek, J. Viefhaus, U. Becker Feb 2000

Lifetime Effects On The Dissociation Of Core-Excited N2 And Co Molecules, N. Saito, A. Hempelmann, F. Heiserq, Oliver Hemmers, K. Wieliczek, J. Viefhaus, U. Becker

Environmental Studies Faculty Publications

Vibrational-resolved ion and ion-pair yield spectra of N2 and CO taken at their 1s⃗π* resonance excitations reveal decay-channel-dependent core hole lifetimes. The linewidths of the yield spectra tend to be shortened when the number of electrons ejected in the deexcitation process increases, finally becoming narrower than the total ion yield or absorption natural lifetime width of the core-excited states of N2 and CO, respectively. In contrast to this, the linewidths of the yield spectra for the singly charged molecular ions, N2+ and CO+, are shown to be broader than their corresponding natural linewidths. …


Crystal And Magnetic Structures Of Lani₅₋ₓmnₓ, Chiu-Ying Tai, G. K. Marasinghe, Oran Allan Pringle, William Joseph James, Muguo Chen, William B. Yelon, I. Dubenko, Naushad Ali, Ph. I'Héritier Jan 2000

Crystal And Magnetic Structures Of Lani₅₋ₓmnₓ, Chiu-Ying Tai, G. K. Marasinghe, Oran Allan Pringle, William Joseph James, Muguo Chen, William B. Yelon, I. Dubenko, Naushad Ali, Ph. I'Héritier

Physics Faculty Research & Creative Works

The crystallographic and magnetic properties of LaN5-xMnx with x = 1, 1.5, and 2, have been investigated using x-ray and neutron diffraction, vibrating sample magnetometer and superconducting quantum interference device measurements. All the samples crystallize in the hexagonal CaCu5-type (P6/mmm) structure. Manganese atoms preferentially occupy the 3 g site in the LaNi5 structure. The bulk magnetization of the LaNi5-xMnx powder samples decreases rapidly as nickel is replaced by manganese. A ferrimagnetic model is applied to describe the magnetic structure of the LaNi5-xMnx samples for x = 1.5 and …


The Effects Of Argon Dilution On Hydrogenated Amorphous Silicon Prepared By D.C. Plasma Glow Discharge : Optical And Infrared Spectroscopic Studies, Aniszawati Azis Jan 2000

The Effects Of Argon Dilution On Hydrogenated Amorphous Silicon Prepared By D.C. Plasma Glow Discharge : Optical And Infrared Spectroscopic Studies, Aniszawati Azis

Student Works (2000-2009)

Hydrogenated amorphous silicon (a-Si :H) films were prepared from the discharge of pure silane and silane diluted in argon using a home-built hori zontal direct current(d.c.) plasma glow discharge system. The effects of argon dilution of silane on the optical properties, chemical bonding properties, hydrogen content and microstructure parameter of the films produced were studied and analyzed. Film thickness, refractive index, optical energy gap and the Urbach tail bandwidth were obtained from the optical transmission spectra of the films while the H content and the microstructure parameter were derived from the Fourier Transform infra-red(FTIR) spectra of the films. The FTIR …


Infrared Spectoscopy And Electrical Conductivity Of Copper(Ii) 4-Aminobenzoate And Iondine-Doped Copper(Ii) 4-Aminobenzoate, Chang Fu Dee Jan 2000

Infrared Spectoscopy And Electrical Conductivity Of Copper(Ii) 4-Aminobenzoate And Iondine-Doped Copper(Ii) 4-Aminobenzoate, Chang Fu Dee

Student Works (2000-2009)

Copper(II) 4-aminobenzoate (CAB), prepared from copper(II) acetate monohydrate and 4-aminobenzoic acid, was a dark green powder. Fourier Transfonn lnfrared (FTIR) spectrum of CAB, recorded as KBr disc, indicated the presence of all bonds and functional groups expected of it, and the absence of hydrogen bonding. Its conductivity at room temperature was 4.2 x 10^-11 Scm^·1. The value increased as temperature decreased indicating metallic behaviour. Density of states at Fenni level, hopping distance, hopping energy and density of charge carriers calculated based on Mon's Variable Range Hopping model (VRH) are 2.65x 10^-22 (eV)^-1 cm^-3, 7.47 x 10^-8 cm, 0.02 eV and …


Investigations On The Conductivity Of Organotin-Doped Polyethyleneoxide Polymer System, Lekshmi Sarojiniamma Jan 2000

Investigations On The Conductivity Of Organotin-Doped Polyethyleneoxide Polymer System, Lekshmi Sarojiniamma

Student Works (2000-2009)

Poly(ethylene oxide) (PEO) has been doped with selected organotin compounds. The organotin dopants used were triphenyltin thiocyanate (Ph3SnSCN) and tetramethylammonium dichlorotriphenylstannate [Ph3SnClr[Me4N)•. Tin incorporation in the polymers was established by several physical techniques. The infrared spectroscopic analysis of the Pb3SnSCN - doped electrolyte film showed bands at 2080-2050 cm.·' which are also given by pure Ph3SnSCN. Different concentrations of organotin doped electrolytes were prepared and conductivity studies on these were perfonned using impedance spectroscopy. From the measurements it was found that the best conductivity of 7.6xJ0.g Siem was obtained for the composition with PEO :dopant ratio of90:10 at room temperature. …


A Study Of Traffic Noise From Selected Urban And Suburban Areas, Savitri Ramiah Jan 2000

A Study Of Traffic Noise From Selected Urban And Suburban Areas, Savitri Ramiah

Student Works (2000-2009)

The main aim of this study is to determine the noise levels in selected urban and suburban roads and to compare the difference in traffic noise levels between these areas. 1be noise attenuated by noise barrier was also surveyed as a small portion of this study. Analysis of traffic noise was surveyed at five locations. Two locations were surveyed for the urban area and two locations for the suburban area and one location for noise barrier. The traffic volume for the duration of the survey was also recorded. Both day time and night time noise levels were studied. The survey …


Beyond The Dipole Approximation: Angular-Distribution Effects In The 1s Photoemission From Small Molecules, Dennis W. Lindle, Oliver Hemmers, H. Wang, P. Focke, I. A. Sellin, J. D. Mills, J. A. Sheehy, P. W. Langhoff Jan 2000

Beyond The Dipole Approximation: Angular-Distribution Effects In The 1s Photoemission From Small Molecules, Dennis W. Lindle, Oliver Hemmers, H. Wang, P. Focke, I. A. Sellin, J. D. Mills, J. A. Sheehy, P. W. Langhoff

Environmental Studies Faculty Publications

Over the past two decades, the dipole approximation has facilitated a basic understanding of the photoionization process in atoms and molecules. Recent experiments on the 1s inner shells of small molecules at relatively low photon energies (⩽ 1000 eV) show strong nondipole effects. They are significant and measurable at energies close to threshold, in conflict with a common assumption that the dipole approximation is valid for photon energies below 1 keV.


Molecular-Dynamics Study Of Phase Transitions In Alkali Azides, M. M. Ossowski, John R. Hardy, Robert W. Smith Dec 1999

Molecular-Dynamics Study Of Phase Transitions In Alkali Azides, M. M. Ossowski, John R. Hardy, Robert W. Smith

Physics Faculty Publications

An account is presented of our studies of the order-disorder phase transitions in KN3, RbN3, and CsN3. These are based on parameter-free interionic potentials based on the Gordon-Kim modified electron-gas formalism extended to molecular ions. We performed static structural relaxations and supercell molecular dynamics and predicted with reasonable accuracy the temperatures for the onset of the transitions. In particular, we address the question of how the N3- ions reorient to yield the transitions. We found the existence of NaCl-type high-temperature phases in disordered KN3 and RbN3 and argue that this …


Validity Of The Independent-Particle Approximation In X-Ray Photoemission: The Exception, Not The Rule, D. Hansen, Oliver Hemmers, H. Wang, Dennis W. Lindle, P. Focke, I. A. Sellin, Clemens Heske, H. S. Chakraborty, P. C. Deshmukh, S. T. Manson Oct 1999

Validity Of The Independent-Particle Approximation In X-Ray Photoemission: The Exception, Not The Rule, D. Hansen, Oliver Hemmers, H. Wang, Dennis W. Lindle, P. Focke, I. A. Sellin, Clemens Heske, H. S. Chakraborty, P. C. Deshmukh, S. T. Manson

Environmental Studies Faculty Publications

A combined experimental and theoretical study of argon valence photoionization illustrates the discovery of the broad lack of validity of the independent-particle approximation (IPA) for x-ray photoemission. In addition to previously known breakdowns of the IPA, which are limited to high photon energies and regions very near threshold, the observed breakdown in photoionization at intermediate energies demonstrates generally that the IPA is valid only in very restricted domains. These restrictions are expected to be relevant throughout the periodic table, with consequences for a wide variety of applications.


Micromagnetics Simulation Of Nanoshaped Iron Elements: Comparison With Experiment, Ngocnga Dao, S. R. Homer, Scott L. Whittenburg Sep 1999

Micromagnetics Simulation Of Nanoshaped Iron Elements: Comparison With Experiment, Ngocnga Dao, S. R. Homer, Scott L. Whittenburg

Chemistry and Biochemistry Faculty Publications

A micromagnetics simulation has been conducted on nanostructured magnetic elements of iron in order to investigate the effect of the shape of the element on magnetic properties, such as domain formation and hysteresis loops. These results are compared with recent experimental studies. The results display an impressive agreement with both the experimentally observed magnetic domains in individual particles as well as the shape of the hysteresis loops. The simulation results then explain features in the hysteresis loops in terms of vortice formation and motion.


41st Rocky Mountain Conference On Analytical Chemistry Aug 1999

41st Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 41st annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-sponsored by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, August 1-5, 1999.