Chemistry Commons^™

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle: Quarterly Report, William Culbreth, Pang Tao

Separations Campaign (TRP)

During the first two quarters of the work, the tasks included training students in the use of Monte Carlo codes used in radiation transport studies and the assessment of neutron multiplication factors for specific problems outlined by ANL-East through Drs. Laidler and Vandegrift.

The proposal also included objectives for the first year of work on this project, as listed below. The work conducted in the second quarter of the project was in partial completion of these objectives.

• Train UNLV students in the use of SCALE and/or MCNP for the assessment of nuclear criticality.

• Assess neutron multiplication factor, k …

University Of Nevada, Las Vegas Advanced Accelerator Applications University Participation Program: Quarterly Report Fourth Quarter (December 2001 To February 2002), Anthony Hechanova

Transmutation Research Program Reports (TRP)

This Quarterly Report is a primary deliverable from the University of Nevada, Las Vegas (UNLV) Advanced Accelerator Applications (AAA) University Participation Program (UPP) Director to the U.S. Department of Energy (DOE) as described in the UNLV AAA proposal and Statement of Work for the Fourth Quarter.

The UNLV AAA UPP Director implements the program’s administration using staff from the Harry Reid Center for Environmental Studies (HRC) to ensure that work conducted under the UNLV AAA UPP meets program objectives. The UNLV AAA program consists of three components: Program Support, Research Infrastructure Augmentation, and Student Research.

Molecular Dynamics Simulations Of Phase Transition In Agno3, Jianjun Liu, Chun-Gang Duan, M. M. Ossowski, Wai-Ning Mei, Robert W. Smith, J. R. Hardy

Chemistry Faculty Publications

Structural phase transition in AgNO₃ at high temperature is simulated by molecular dynamics. The simulations are based on the potentials calculated from the Gordon–Kim modified electron-gas formalism extended to molecular ionic crystals. AgNO₃ transforms into rhombohedral structure at high temperature and the phase transition is associated with the rotations of the NO₃ ions and displacements of the NO₃ and Ag ions.

Polymorphous Transformations In Alkaline-Earth Silicates, Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, Robert W. Smith, John R. Hardy

Physics Faculty Publications

Structural phase transitions in Ca₂SiO₄ and Sr₂SiO₄ are investigated by molecular dynamics simulations. The simulations are based on the potentials calculated from the Gordon–Kim modified electron gas formalism extended to molecular ions. We successfully reproduced the transition γ -α’_H and β-α’_L - α’_H - α in Ca₂SiO₄, and the transition β-α’ in Sr₂SiO₄. We find that the α’_L phase of Ca₂SiO₄ is an ax3b x c superstructure of the α’_H phase, while the α’_H phase …

Third Quarter Report, Covering January Through March 2002, John Farley

Transmutation Sciences Materials (TRP)

Progress from June 2001-November 2001 was presented at the winter meeting of the American Nuclear Society in Reno (November 12-15, 2001), and incorporated into a refereed conference proceeding. A copy of the refereed conference proceeding has been provided to Tony Hechanova. In brief, the paper described the new program to examine the corrosive effects of lead-bismuth eutectic (LBE) on steels. We employed various types of surface studies (Scanning Electron Microscope [SEM], and X-ray Photoelectron Spectrometry [XPS]) to examine steel samples that had been exposed to LBE for various lengths of time at various temperatures. The goal is to understand the …

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 La_1-xSr_xMO_3-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 La_0.6Sr_0.4FeO_3-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 La_0.6Sr_0.4FeO_3-δ compounds maintain the rhombohedral structure (space group R3̄c). The air- or oxygen-annealed samples have almost no oxygen …

University Of Nevada, Las Vegas Transmutation Research Program Annual Report 2001, Anthony Hechanova, Elizabeth Johnson, Gary Cerefice

Transmutation Research Program Reports (TRP)

The UNLV Transmutation Research Program was established in March 2001 as part of the national Advanced Accelerator Applications program to develop the technologies necessary for the ecological and economical treatment of spent nuclear fuel.

The primary role of the UNLV program in the national effort is the training of graduate and undergraduate students in nuclear engineering and other related fields to support the augmentation of the U.S. human infrastructure for transmutation technologies.

To accomplish this role, UNLV has developed the TRP with the primary focus of supporting student research into transmutation and supporting technologies. This focus is realized through the …

Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry, Allen L. Johnson

Transmutation Sciences Materials (TRP)

This research program will analyze various steel samples that have been exposed to LBE as part of the national program to develop LBE and transmutation technologies. This information will be paramount in developing engineering efforts to control, avoid, and/or minimize the effect of corrosion of steels by LBE in transmuter and LBE systems. Additionally, this program provides UNLV researchers with hands-on experience that will be crucial in developing the UNLV LBE program, supporting the University’s mission with the ISTC target complex, and the future development of additional facilities to examine LBE systems.

The research group plans to test the hypothesis …

Corrosion Of Steel By Lead Bismuth Eutectic: Year 1 Annual Report, John Farley

Transmutation Sciences Materials (TRP)

The goal is to investigate the corrosion of stainless steel by lead-bismuth eutectic (LBE), which has been proposed for use as a blanket coolant and a spallation target in the transmuter.

Development Of Dose Conversion Coefficients For Radionuclides Produced In Spallation Neutron Sources, Phillip W. Patton, Mark Rudin

Transmutation Sciences Physics (TRP)

For the first year of this effort, the UNLV research team set out four objectives. First, the university and laboratory consortium had to be established. This consortium was tasked with helping to determine the methodology for determining the dose coefficients, and to ensure that the resulting DCs will be of use to the national programs developing accelerator-driven nuclear systems (such as the SNS or an accelerator-driven transmutation system) and to the health physics community as a whole. The second goal of this program was to determine a methodology and then prioritize the radionuclides so that the research effort would address …

Development Of Dose Coefficients For Radionulides Produced In Spallation Neutron Sources: Annual Report, Phillip W. Patton, Mark Rudin

Transmutation Sciences Physics (TRP)

The University of Nevada, Las Vegas (UNLV) Transmutation Research Program has been tasked to support U.S. Department of Energy (DOE) efforts to assess the health risks associated with the operation of each of their accelerator-driven nuclear facilities for both NEPA and PSAR development. Quantifying the radiological risks to workers will have to be addressed during the design and siting of each of these facilities. U.S. Environmental Protection Agency (EPA) Federal Guidance Report No. 11 “Limiting Values of Intake and Air Concentration and Dose Conversion Factors for Inhalation, Submersion, and Ingestion”, developed two derived guides, Annual Limit on Intake (ALI) and …

Nuclear Criticality, Shielding, And Thermal Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Denis Beller

Separations Campaign (TRP)

The remediation of nuclear waste created by conventional fission reactors will rely upon the separation of the waste products for further treatment. The UREX+ process now under review will involve the use of an aqueous chemical process to separate out depleted uranium resulting in a product containing minor actinides, fission products, cesium, strontium, technetium, and iodine. The radioactive decay of strontium and cesium produces roughly half of the thermal and gamma production in spent fuel and the relatively short halflife of isotopes of both of these elements requires storage for about 300 years before heat and radiation decreases to safe …

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Pang Tao, Denis Beller

Separations Campaign (TRP)

The separation and partitioning of used commercial reactor fuel is a vital component of any reprocessing or transmutation strategy. To process the high actinide fuels required for a transmutation effort, the Chemical Technology Division (CMT) at Argonne National Laboratory (ANL) is developing a pyrochemical separations process. Currently, this work is being done via small experiments. While this is more than sufficient to develop the technologies required to process actinide-bearing fuels, it does not allow for the direct investigation of criticality concerns that would be present in larger systems. As the volume of waste to be treated increases, a higher probability …

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle: Quaterly Report, William Culbreth, Pang Tao

Separations Campaign (TRP)

During the first quarter of the work, the tasks included training students in the use of Monte Carlo codes used in radiation transport studies and the assessment of neutron multiplication factors for specific problems outlined by ANL-East through Drs. Laidler and Vandegrift.

The proposal also included objectives for the first year of work on this project, as listed below. The work conducted in the first quarter of the project was in partial completion of these objectives.

• Train UNLV students in the use of SCALE and/or MCNP for the assessment of nuclear criticality.

• Assess neutron multiplication factor, k_{eff …}

Large Nondipole Effects In The Angular Distributions Of K-Shell Photoelectrons From Molecular Nitrogen, Oliver Hemmers, H. Wang, P. Focke, I. A. Sellin, Dennis W. Lindle, J. C. Arce, J. A. Sheehy, P. W. Langhoff

Environmental Studies Faculty Publications

Measurements of angular distributions of K-shell electrons photoejected from molecular nitrogen are reported which reveal large deviations at relatively low photon energies ( ħω≤500eV) from emission patterns anticipated from the dipole approximation to interactions between radiation and matter. A concomitant theoretical analysis incorporating the effects of electromagnetic retardation attributes the observed large nondipole behaviors in N₂ to bond-length-dependent terms in the E1⊗(E2,M1) photoelectron emission amplitudes which are indicative of a potentially universal nondipole behavior in molecular photoionization.

Micromagnetics Simulation Of Deep-Submicron Supermalloy Disks, Scott L. Whittenburg, Ngocnga Dao, R. P. Cowburn

Chemistry and Biochemistry Faculty Publications

The results of recent micromagnetic simulations of deep submicron supermalloy disks are presented. A recent experimental measurement of the hysteresis and magnetic domain structure in supermalloy disks with diameters ranging from 55 to 500 nm and thickness ranging from 6 to 15 nm has been reported. Our micromagnetic simulations show remarkable agreement with the experimental hysteresis loops. The simulation results show that for thin or small diameter disks a single magnetic domain exists with all spins aligned. The hysteresis loop represents free rotation of these spins. For larger diameter disks or as the thickness increases the hysteresis loops change shape …

Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry

Transmutation Sciences Materials (TRP)

We examined stainless samples that were exposed to LBE in experiments conducted by the Russians, under contract to Los Alamos. We examined both corroded and uncorroded samples using the Scanning Electron Microscope (SEM), the Energy Dispersive X-Ray (EDAX) Spectroscopy, and the X-ray Photoelectron Spectrometer (XPS). We found that the surface of the corroded sample is covered by oxygen-containing compounds, presumably mostly iron oxide. In samples exposed for shorter times or lower temperatures, we found that some areas were covered by an oxide layer, and some areas was uncovered. We found that the level of Cr in the uncovered area is …

Magnetic Properties Of The Mnbi Intermetallic Compound, Jinbo Yang, Kishore Kamaraju, William B. Yelon, William Joseph James, Qingsheng Cai, A. Bollero

Physics Faculty Research & Creative Works

A MnBi alloy containing over 90 wt% low-temperature phase (LTP) has been obtained by high-temperature sintering and magnetic purification. The coercivity of the bonded MnBi magnet increases with increasing temperatures. A coercivity of 2.0 T has been achieved at 400 K. The maximum energy product (BH)_max; of the magnet is 7.7 MGOe (61 kJ/m³) and 4.6 MGOe (37 kJ/m³) at room temperature and 400 K, respectively. Neutron diffraction and magnetic data reveal a spin reorientation, which gives rise to low anisotropy fields and coercivity at lower temperatures for the LTP MnBi alloy.

Dynamical Relativistic Effects In Photoionization: Spin-Orbit-Resolved Angular Distributions Of Xenon 4d Photoelectrons Near The Cooper Minimum, H. Wang, G. Snell, Oliver Hemmers, M. M. Sant'anna, I. A. Sellin, N. Berrah, Dennis W. Lindle, P. C. Deshmukh, N. Haque, S. T. Manson

Environmental Studies Faculty Publications

Two decades ago, it was predicted [Y. S. Kim et al., Phys. Rev. Lett. 46, 1326 (1981)] that relativistic effects should alter the dynamics of the photoionization process in the vicinity of Cooper minima. The present experimental and theoretical study of the angular distributions of Xe 4d_3/2 and 4d_5/2 photoelectrons demonstrates this effect for the first time. The results clearly imply that relativistic effects are likely to be important for intermediate- Z atoms at most energies.

Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry

Transmutation Sciences Materials (TRP)

The goal is to achieve a basic understanding of the corrosion of stainless steel by Lead Bismuth Eutectic (LBE), which has been proposed for use in the transmuter as both a coolant and as a sputtering target.

Nuclear Criticality Analyses Of Separations Processes For The Transmutation Fuel Cycle, William Culbreth, Pang Tao

Separations Campaign (TRP)

To mitigate the waste created by conventional fission reactors, spent nuclear fuel must be mechanically separated from its cladding. For the development of fuel processing technology to support the Advanced Accelerator Applications (AAA) Program, aqueous and pyrochemical processes will be used to further separate technetium and iodine, uranium and the higher actinides (see Figure 1 for an example of the process layout)1. The higher actinides, including plutonium, americium, curium, and neptunium will be separated from the waste to facilitate their fabrication into new fuel for placement in a transmuter. High-energy neutrons generated by spallation in the transmuter break down these …

The Geochemistry Of Banded Iron Formations In The Sukumaland Greenstone Belt Of Geita, Northern Tanzania: Evidence For Mixing Of Hydrothermal And Clastic Sources Of The Chemical Elements, M A H Maboko

Tanzania Journal of Science

Major and trace element compositions of samples of Banded Iron Formations (BIF) from the Neoarchaean Sukumaland Greenstone Belt of Geita in northern Tanzania reveal that the BIF precipitated from hydrothermal solutions. Fe-Ti-Al-Mn systematics suggest that the hydrothermal deposits have been contaminated, by up to 20% by weight, with detrital material having a composition similar to modern deep-sea pelagic clays. SiO2 and Fe2O3 contents are 48.2 to 88.5% and 8.9 to 49.1% respectively. Al2O3 contents lie between 0.33 and 2.1% and show no correlation with either Fe2O3 or SiO2. Al2O3 is, however, positively correlated with Ti, Ga, Hf, Rb,Th, Zr and …

43rd Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 43rd 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, July 29 - August 2, 2001.

Relativistic Effects On Interchannel Coupling In Atomic Photoionization: The Photoelectron Angular Distribution Of Xe, Oliver Hemmers, S. T. Manson, M. M. Sant'anna, P. Focke, H. Wang, I. A. Sellin, Dennis W. Lindle

Environmental Studies Faculty Publications

Measurements of the photoelectron angular-distribution asymmetry parameter β for Xe 5s photoionization have been performed in the 80–200 eV photon-energy region. The results show a substantial deviation from the nonrelativistic value of β=2 and provide a clear signature of significant relativistic effects in interchannel coupling.

Shape Imprinting Due To Variable Disulfide Bonds In Polyacrylamide Gels, Andrew B. Greytak, Alexander Y. Grosberg, Toyoichi Tanaka

Faculty Publications

Through the use of variable disulfide crosslinkers, we have created polyacrylamide gels whose shape can be altered after polymerization. N,N'-bisacryloylcystamine is incorporated as a crosslinker, along with a smaller amount of a permanent crosslinker. After polymerization, the disulfide bonds are cleaved into thiols through reduction. By reoxidizing the thiols with the gel held in a new macroscopic shape, a new set of disulfide bonds is formed, and the gel is forced to adopt the new shape. Retension of the new shape improves with greater distortion from the original shape, as well as with increased concentration of variable …

Anionic Photofragmentation Of Co: A Selective Probe Of Core-Level Resonances, Wayne C. Stolte, D. L. Hansen, Maria Novella Piancastelli, I. Dominguez-Lopez, A. Rizvi, Oliver Hemmers, H. Wang, Alfred S. Schlachter, M. S. Lubell, Dennis W. Lindle

Environmental Studies Faculty Publications

Anion-yield spectroscopy using x rays is shown to be a selective probe of molecular core-level processes, providing unique experimental verification of shape resonances. For CO, partial anion and cation yields are presented for photon energies near the C K edge. The O^- yield exhibits features above threshold related only to doubly excited states, in contrast to cation yields which also exhibit pronounced structure due to the well-known σ^* shape resonance. Because the shape resonance is completely suppressed for O^-, anion spectroscopy thus constitutes a highly selective probe, yielding information unobtainable with absorption or electron spectroscopy.

Interchannel Coupling In The Photoionization Of The M-Shell Of Kr Well Above Threshold: Experiment And Theory, H. S. Chakraborty, D. L. Hansen, Oliver Hemmers, P. C. Deshmukh, P. Focke, I. A. Sellin, Clemens Heske, Dennis W. Lindle, S. T. Manson

Environmental Studies Faculty Publications

Photoionization cross sections and asymmetry (β) parameters for Kr 3s, 3p, and 3d subshells have been measured and calculated in the 300–1300-eV photon energy range. Good agreement between experiment and theory is found for both cross-section branching ratios and β parameters. Interchannel coupling among the channels arising from 3s, 3p, and 3d subshells is found to be necessary for quantitative accuracy of the theory. This shows that the interchannel coupling phenomenology far above threshold, found previously for outer shells of Ne and Ar, is also operative for inner atomic shells.

Use Of Quantum Mechanical Calculations To Investigate Small Silicon Carbide Clusters, Jean W. Henry

Theses and Dissertations

Density Functional Theory (DFT) method was employed to model silicon carbide small clusters. Comparing the DFT calculation results with experimental results that observed by using photoelectron spectroscopy (PES), DFT predicts the same structures that experiment observed. For electron affinity, DFT results are in good agreement with experimental results, the root mean square negative offset 0.1 eV found using medium size of basis set (cc-pVDZ+) calculation. DFT results for vibrational frequencies are in good agreement with experiment results; the root mean square error is 72.5 cm^-1 wave number. 16 ground state structures of Si_mC_n (m ≤ 4, …

Effects Of External Electric Field On The Interfacial Properties Of Weakly Dipolar Fluid, V. B. Warshavsky, T. V. Bykov, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

In the framework of modified mean-field density-functional theory, effects of a uniform electric field on the interfacial properties of a model dipolar fluid are studied. Both density and orientational order-parameter profiles of the planar vapor-liquid interface are obtained as a function of the field strength. For the dipolar fluids with reduced dipole moment μ₀^*0^*E*/T*!1) can shift the surface tension by few percent. We also find that the electric field actually reduces the thermodynamical surface tension but enhances the mechanical surface tension at the equimolar dividing surface. To detect these field effects on …

Report Of The State Nuclear Safety Advisor Submitted To The Governor And 120th Legislature As Of January 15, 2001, Paula M. Craighead

Maine Collection

Report of the State Nuclear Safety Advisor submitted to the Governor and 120th Legislature As of January 15, 2001

Paula M. Craighead, State Nuclear Safety Advisor, Executive Department, Maine State Planning Office, Augusta, Maine, 2001.

Contents: Introduction and Executive Summary / I. Maine Yankee Decommissioning / II. Portsmouth Naval Shipyard (PNS) / III. Low-Level Radioactive Waste (LLRW) / IV. High Level Radioactive Waste / V. Transport Routes and Safety Response / VI. Shipments / VII. Status of Federal and State Legal and Administrative Proceedings / References and Resources / Glossary