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Variations in the Nature of Metal Adsorption on Ultrathin Al(2)O(3) Films

Description: First-principles density-functional calculations are used to study metal adsorption (Li, K, Y, Nb, Ru, Pd, Pt, Cu, Ag, Au, and Al at 1/3-4 monolayer coverages) atop 5 ~ A1203 films on Al(Ill). The oxide-metal bond is ionic at Iow coverages but, with interesting exceptions, caused by polari@i ,~-cE!vED at high coverages where the overlayer is metallic. Binding trends are explained in terms of s'imp e concepts. Increasing overlayer thickness can cause the adsorbate-oxide interface structure to than . %lEc o ~ 1998 and while some metals wet, most do not.
Date: November 24, 1998
Creator: Bogicevic, A. & Jennison, D.R.
Partner: UNT Libraries Government Documents Department

Environmental Effects in Advanced Intermetallics

Description: This paper provides a comprehensive review of environmental embrittlement in iron and nickel aluminizes. The embrittlement involves the interaction of these intermetallics with moisture in air and generation of atomic hydrogen, resulting in hydrogen-induced embrittlement at ambient temperatures. Environmental embrittlement promotes brittle grain-boundary fracture in Ni{sub 3}Al alloys but brittle cleavage fracture in Fe{sub 3}Al-FeAl alloys. The embrittlement strongly depends on strain rate, with tensile-ductility increase with increasing strain rate. It has been demonstrated that environmental embrittlement can be alleviated by alloying additions, surface modifications, and control of grain size and shape. Boron tends to segregate strongly to grain boundaries and is most effective in suppressing environmental embrittlement in Ni{sub 3}Al alloys. The mechanistic understanding of alloy effects and environmental embrittlement has led to the development of nickel and iron aluminide alloys with improved properties for structural use at elevated temperatures in hostile environments.
Date: November 24, 1998
Creator: Liu, C.T.
Partner: UNT Libraries Government Documents Department

COMSORS: A light water reactor chemical core catcher

Description: The Core-Melt Source Reduction System (COMSORS) is a new approach to terminate lightwater reactor (LWR) core-melt accidents and ensure containment integrity. A special dissolution glass made of lead oxide (PbO) and boron oxide (B{sub 2}O{sub 3}) is placed under the reactor vessel. If molten core debris is released onto the glass, the following sequence happens: (1) the glass absorbs decay heat as its temperature increases and the glass softens; (2) the core debris dissolves into the molten glass; (3) molten glass convective currents create a homogeneous high-level waste (HLW) glass; (4) the molten glass spreads into a wider pool, distributing the heat for removal by radiation to the reactor cavity above or transfer to water on top of the molten glass; and (5) the glass solidifies as increased surface cooling area and decreasing radioactive decay heat generation allows heat removal to exceed heat generation.
Date: February 24, 1997
Creator: Forsberg, C.W.; Parker, G.W.; Rudolph, J.C.; Osborne-Lee, I.W. & Kenton, M.A.
Partner: UNT Libraries Government Documents Department

The Heisenberg representation of quantum computers

Description: Since Shor`s discovery of an algorithm to factor numbers on a quantum computer in polynomial time, quantum computation has become a subject of immense interest. Unfortunately, one of the key features of quantum computers--the difficulty of describing them on classical computers--also makes it difficult to describe and understand precisely what can be done with them. A formalism describing the evolution of operators rather than states has proven extremely fruitful in understanding an important class of quantum operations. States used in error correction and certain communication protocols can be described by their stabilizer, a group of tensor products of Pauli matrices. Even this simple group structure is sufficient to allow a rich range of quantum effects, although it falls short of the full power of quantum computation.
Date: June 24, 1998
Creator: Gottesman, D.
Partner: UNT Libraries Government Documents Department

Surface contamination initiated laser damage

Description: We are engaged in a comprehensive effort to understand and model the initiation and growth of laser damage initiated by surface contaminants. This includes, for example, the initial absorption by the contaminant, heating and plasma generation, pressure and thermal loading of the transparent substrate, and subsequent shockwave propagation, ``splashing`` of molten material and possible spallation, optical propagation and scattering, and treatment of material fracture. The integration use of large radiation hydrodynamics codes, optical propagation codes and material strength codes enables a comprehensive view of the damage process The following picture of surface contaminant initiated laser damage is emerging from our simulations. On the entrance optical surface, small particles can ablate nearly completely. In this case, only relatively weak shockwaves are launched into the substrate, but some particulate material may be left on the surface to act as a diffraction mask and cause further absorption. Diffraction by wavelength scale scattering centers can lead to significant intensity modulation. Larger particles will not be completely vaporized. The shockwave generated in this case 1642is larger and can lead to spallation of contaminant material which then may be deposited in the substrate. A gaseous atmosphere can lead to radiation trapping with concomitant increases in temperature and pressure near the surface. In addition, supersonic ionization waves in air may be generated which greatly extend the plasma plume spatially and temporally. Contaminants on the exit optical surface behave differently. They tend to heat and pop off completely in which case significant damage may not occur. Since plasma formed at the interface of the optic and absorbing particle is confined, much stronger pressures are generated in this case. Imaging of contaminants resulting in ``writing`` a diffraction pattern on the exit surface due to contamination on the entrance surface has been observed experimentally and predicted theoretically. Such imprinted damage ...
Date: January 24, 1997
Creator: Feit, M.D.; Rubenchick, A.M. & Faux, D.R.
Partner: UNT Libraries Government Documents Department

The Synergism Between Heat and Mass Transfer Additive and Advanced Surfaces in Aqueous LiBr Horizontal Tube Absorbers

Description: Experiments were conducted in a laboratory to investigate the absorption of water vapor into a falling-film of aqueous lithium bromide (LiBr). A mini-absorber test stand was used to test smooth tubes and a variety of advanced tube surfaces placed horizontally in a single-row bundle. The bundle had six copper tubes; each tube had an outside diameter of 15.9-mm and a length of 0.32-m. A unique feature of the stand is its ability to operate continuously and support testing of LiBr brine at mass fractions {ge} 0.62. The test stand can also support testing to study the effect of the failing film mass flow rate, the coolant mass flow rate, the coolant temperature, the absorber pressure and the tube spacing. Manufacturers of absorption chillers add small quantities of a heat and mass transfer additive to improve the performance of the absorbers. The additive causes surface stirring which enhances the transport of absorbate into the bulk of the film. Absorption may also be enhanced with advanced tube surfaces that mechanically induce secondary flows in the falling film without increasing the thickness of the film. Several tube geometry's were identified and tested with the intent of mixing the film and renewing the interface with fresh solution from the tube wall. Testing was completed on a smooth tube and several different externally enhanced tube surfaces. Experiments were conducted over the operating conditions of 6.5 mm Hg absorber pressure, coolant temperatures ranging from 20 to 35 C and LiBr mass fractions ranging from 0.60 through 0.62. Initially the effect of tube spacing was investigated for the smooth tube surface, tested with no heat and mass transfer additive. Test results showed the absorber load and the mass absorbed increased as the tube spacing increased because of the improved wetting of the tube bundle. However, tube spacing ...
Date: March 24, 1999
Creator: Miller, W.A.
Partner: UNT Libraries Government Documents Department

Magnetic excitations in a random exchange system Fe{sub x}Mn{sub 1-x}TiO{sub 3}

Description: In order to examine the influence of exchange frustration on spin wave excitations, inelastic neutron scattering experiments have been performed on a random exchange system Fe{sub x}Mn{sub l-x}TiO{sub 3} with x = 0.00, 0.10, 0.25 and 0.33. For all three mixed systems, the magnetic excitation spectra consist of two components: a well-defined spin wave component and a broad damped component. The latter can be well fitted to a spectral weight function for a damped harmonic oscillator.
Date: August 24, 1994
Creator: Kawano, H.; Yoshizawa, H.; Nicklow, R.M. & Ito, A.
Partner: UNT Libraries Government Documents Department

Statistical Analyses of Scatterplots to Identify Important Factors in Large-Scale Simulations, 1: Review and Comparison of Techniques

Description: The robustness of procedures for identifying patterns in scatterplots generated in Monte Carlo sensitivity analyses is investigated. These procedures are based on attempts to detect increasingly complex patterns in the scatterplots under consideration and involve the identification of (i) linear relationships with correlation coefficients, (ii) monotonic relationships with rank correlation coefficients, (iii) trends in central tendency as defined by means, medians and the Kruskal-Wallis statistic, (iv) trends in variability as defined by variances and interquartile ranges, and (v) deviations from randomness as defined by the chi-square statistic. The following two topics related to the robustness of these procedures are considered for a sequence of example analyses with a large model for two-phase fluid flow: the presence of Type I and Type II errors, and the stability of results obtained with independent Latin hypercube samples. Observations from analysis include: (i) Type I errors are unavoidable, (ii) Type 11errors can occur when inappropriate analysis procedures are used, (iii) physical explanations should always be sought for why statistical procedures identify variables as being important, and (iv) the identification of important variables tends to be stable for independent Latin hypercube samples.
Date: March 24, 1999
Creator: Kleijnen, J.P.C. & Helton, J.C.
Partner: UNT Libraries Government Documents Department

Electron heat transport in improved confinement discharges in DIII-D

Description: In DIII-D tokamak plasmas with an internal transport barrier (ITB), the comparison of gyrokinetic linear stability (GKS) predictions with experiments in both low and strong negative magnetic shear plasmas provide improved understanding for ion and electron thermal transport within much of the plasma. As previously reported, the region for improved ion transport seems well characterized by the condition OE~B>Y-, where SERB is the ExB flow shear, calculated from measured quantities, and y,, is the maximum linear growth rate for ion temperature gradient (ITG) modes in the absence of flow shear. Within a limited region just inside the ITB, the electron temperature gradient (ETG) modes appear to control the electron temperature gradient and, consequently, the electron thermal transport. The increase in electron temperature gradient with more strongly negative magnetic shear is consistent with the increase in the ETG mode marginal gradient. Closer to the magnetic axis the Te profile flattens and the ETG modes are predicted to be stable. With additional core electron heating, FIR scattering measurements near the axis show the presence of high k fluctuations (12 cm-l), rotating in the electron diamagnetic drift direction. This turbulence could impact electron transport and possibly also ion transport. Thermal diffusivities for electrons, and to a lesser degree ions, increase. The ETG mode can exist at this wavenumber, but it is computed to be robustly stable near the axis.
Date: November 24, 1998
Creator: Stallard, B. W.
Partner: UNT Libraries Government Documents Department

Effects of Elevated Radon Levels on Kanne Tritium Monitors

Description: The Savannah River Site has used Kanne ionization chambers since the late 1950's to monitor for airborne tritium in reactor facilities. Two Kanne monitors indicated elevated airborne tritium levels while monitoring a non-ventilated room used to store tritiated liquid moderator. Subsequent air sample analysis failed to reveal the presence of airborne tritium. It was suspected that elevated radon levels caused the Kanne monitors to falsely indicate tritium activity. Two commercially available monitoring systems were used to quantify radon levels in the storage room. Measurements performed during this evaluation found that radon caused the Kanne monitors in the storage room to falsely indicate the presence of airborne tritium. A side-by-side comparison of a filtered versus an unfiltered Kanne monitor found that a high efficiency particulate filter reduced monitor response to near background under high radon conditions. It was recommended that a high efficiency filter be installed on the dedicated storage room Kanne monitor and that the room be de-posted as an Airborne Radioactivity Area. It was also found that the Kanne monitors would detect a spill from a single drum of moderator within minutes and the dose rate due to tritium exposure at 20 hours following this spill would be 4.56 rem/hour.
Date: November 24, 2003
Creator: Farrell, W.E.
Partner: UNT Libraries Government Documents Department


Description: The PHOBOS experiment at RHIC has measured the multiplicity of primary charged particles as a function of centrality and pseudorapidity in Au+Au collisions at {radical}(s{sub NN}) = 19.6, 130 and 200 GeV. Two observations indicate universal behavior of charged particle production in heavy ion collisions. The first is that forward particle production, over a range of energies, follows a universal limiting curve with a non-trivial centrality dependence. The second arises from comparisons with pp/{bar p}p and e{sup +}e{sup -} data. <N{sub ch}>/<N{sub part}/2> in nuclear collisions at high energy scales with {radical}s in a similar way as N{sub ch} in e{sup +}e{sup -} collisions and has a very weak centrality dependence. These features may be related to a reduction in the leading particle effect due to the multiple collisions suffered per participant in heavy ion collisions.
Date: July 24, 2002
Partner: UNT Libraries Government Documents Department

Underground Corrosion of Activated Metals in an Arid Vadose Zone Environment

Description: The subsurface radioactive disposal site located at the Idaho National Engineering and Environmental Laboratory contains neutron-activated metals from nonfuel nuclear-reactor- core components. A long-term corrosion test is being conducted to obtain site-specific corrosion rates to support efforts to more accurately estimate the transfer of activated elements in an arid vadose zone environment. The tests use nonradioactive metal coupons representing the prominent neutron-activated material buried at the disposal location, namely, Type 304L stainless steel, Type 315L stainless steel, nickel-chromium alloy (UNS NO7718), beryllium, aluminum 6061-T6, and a zirconium alloy, (UNS R60804). In addition, carbon steel (the material presently used in the cask disposal liners and other disposal containers) and a duplex stainless steel (UNS S32550) (the proposed material for the high- integrity disposal containers) are also included in the test program. This paper briefly describes the test program and presents the early corrosion rate results after 1 year and 3 years of underground exposure.
Date: October 24, 2001
Creator: Adler Flitton, M.K; Mizia, R.E. & Bishop, C.W.
Partner: UNT Libraries Government Documents Department

Apacheta, a new geothermal prospect in Northern Chile

Description: The discovery of two high-temperature fumaroles, with gas geochemistry compatible with an economic geothermal system, established Apacheta as one of the most attractive geothermal exploration prospects in northern Chile. These remote fumaroles at 5,150 m elevation were first sampled in 1999 by ENAP and its partners, following up on the reports of a CODELCO water exploration well that flowed small amounts of dry steam at 4,540 m elevation in the valley 4.5 km east of the fumaroles. The prospect is associated with a Plio-Pleistocene volcanic complex located within a NW-trending graben along the axis of the high Andes. The regional water table is 4,200 masl. There are no hot springs, just the 88 degrees C steam well and the 109 degrees and 118 degrees C fumaroles with gas compositions that indicate reservoir temperatures of greater than or equal to 250 degrees C, using a variety of gas geothermometers. An MT-TDEM survey was completed in 2001-2002 by Geotermica del Norte (SDN), an ENAP-C ODELCO partnership, to explore the Apacheta geothermal concession. The survey results indicated that base of the low resistivity clay cap has a structural apex just west of the fumaroles, a pattern typically associated with shallow permeability within a high temperature geothermal resource. SGN plans to drill at least one exploration well in 2002-03 to characterize a possible economic resource at Apacheta.
Date: May 24, 2002
Creator: Urzua, Luis; Powell, Tom; Cumming, William B. & Dobson, Patrick
Partner: UNT Libraries Government Documents Department

Focal-series reconstruction of nanoparticle exit-surface electron wave

Description: We have used the One-Angstrom Microscope (OAM) to image and apply focal-series reconstruction (FSR) of the exit-surface wave (ESW) to a 70Angstrom particle of gold supported on amorphous carbon. The phase of the complex ESW shows the positions of the atom columns in the specimen as white dots, and its diffractogram shows it contains information to 1.23Angstrom. The result demonstrates that through-focal reconstruction of the ESW does not need large crystal expanses to work properly. Although [110] Au structures may not need sub-Angstrom resolution to show all the useful structural details of the particle in this orientation, it is clear that focal reconstruction of the ESW can improve original data that is much more difficult to interpret directly. We expect this technique to prove even more useful when applied to nanoparticles containing finer spacings than the 2.35Angstrom separation of the 111 planes in the present gold nano-particle.
Date: February 24, 2003
Creator: O'Keefe, Michael A.; Nelson, E.Chris & Allard, Lawrence F.
Partner: UNT Libraries Government Documents Department

Evidence for light scalar resonances in charm meson decays from Fermilab E791

Description: From Dalitz-plot analyses of D{sup +} {yields} {pi}{sup -}{pi}{sup +}{pi}{sup +} and D{sup +} {yields} K{sup -}{pi}{sup +}{pi}{sup +} decays, we find evidence for light and broad scalar resonances {sigma}(500) and {kappa}(800). From a Dalitz-plot analysis of D{sub s}{sup +} {yields} {pi}{sup -}{pi}{sup +}{pi}{sup +} decays, they measure the masses and decay widths of the scalar resonances f{sub 0}(980) and f{sub 0}(1370).
Date: January 24, 2003
Creator: Schwartz, Alan J.
Partner: UNT Libraries Government Documents Department

Elliptic Solvers with Adaptive Mesh Refinement on Complex Geometries

Description: Adaptive Mesh Refinement (AMR) is a numerical technique for locally tailoring the resolution computational grids. Multilevel algorithms for solving elliptic problems on adaptive grids include the Fast Adaptive Composite grid method (FAC) and its parallel variants (AFAC and AFACx). Theory that confirms the independence of the convergence rates of FAC and AFAC on the number of refinement levels exists under certain ellipticity and approximation property conditions. Similar theory needs to be developed for AFACx. The effectiveness of multigrid-based elliptic solvers such as FAC, AFAC, and AFACx on adaptively refined overlapping grids is not clearly understood. Finally, a non-trivial eye model problem will be solved by combining the power of using overlapping grids for complex moving geometries, AMR, and multilevel elliptic solvers.
Date: July 24, 2000
Creator: Phillip, B.
Partner: UNT Libraries Government Documents Department


Description: Engineered covers have been placed on top of buried/subsurface wastes to minimize water infiltration and therefore, release of hazardous contaminants. In order for the cover to protect the environment it must remain free of holes and breaches throughout its service life. Covers are subject to subsidence, erosion, animal intrusion, plant root infiltration, etc., all of which will affect the overall performance of the cover. The U.S. Department of Energy Environmental Management (DOE-EM) Program 2006 Accelerated Cleanup Plan is pushing for rapid closure of many of the DOE facilities. This will require a great number of new cover systems. Some of these new covers are expected to maintain their performance for periods of up to 1000 years. Long-term stewardship will require monitoring/verification of cover performance over the course of the designed lifetime. In addition, many existing covers are approaching the end of their design life and will need validation of current performance (if continued use is desired) or replacement (if degraded). The need for a reliable method of verification and long-term monitoring is readily apparent. Currently, failure is detected through monitoring wells downstream of the waste site. This is too late as the contaminants have already left the disposal area. The proposed approach is the use of gaseous Perfluorocarbon tracers (PFT) to verify and monitor cover performance. It is believed that PFTs will provide a technology that can verify a cover meets all performance objectives upon installation, be capable of predicting changes in cover performance and failure (defined as contaminants leaving the site) before it happens, and be cost-effective in supporting stewardship needs. The PFTs are injected beneath the cover and air samples taken above (either air samples or soil gas samples) at the top of the cover. The location, concentrations, and time of arrival of the tracer(s) provide a direct ...
Date: February 24, 2002
Partner: UNT Libraries Government Documents Department

Current status of MiniBooNE experiment

Description: This paper reviews the current status of the Fermilab mini-Booster neutrino experiment (MiniBooNE). The experiment began taking beam data in late August 2002. We describe the experiment, status of the beamline and detector, and show the first neutrino candidate events.
Date: March 24, 2003
Creator: Garcia, Fernanda G.
Partner: UNT Libraries Government Documents Department

Digging for Treasure - Unique Fate and Transport Study

Description: In 1970, scientists at the National Bureau of Standards (NBS), now called the National Institute of Standards and Testing (NIST), implemented the most ambitious and comprehensive long-term corrosion behavior test for stainless steels in soil environments. This study had historic significance since the NBS 1957 landmark corrosion textbook compiled by Romanoff did not include stainless steels, and this 1970 research set forth to complete the missing body of knowledge. To conduct the test, NIST scientists buried 6,324 coupons from stainless steel types, specialty alloys, composite configurations, multiple material forms, and treatment conditions at six distinctive soil-type sites throughout the country. Between 1971 and 1980, four sets of coupons were removed from six sites to establish 1-year, 2-year, 4-year, and 8-year corrosion rates data sets for different soil environments. The fifth and last set of coupons (approximately 200 at each site) remains undisturbed after 32-years, providing a virtual buried treasure of material and subsurface scientific data. These buried coupons and the surrounding soils represent an analog to the condition of buried waste and containers. Heretofore, the samples were simply pulled from the soil, measured for mass loss and the corrosion rate determined while the subsurface/fate and transport information was not considered nor gathered. Funded through an Environmental Management Science Program (EMSP) proposal, the Idaho National Engineering and Environmental Laboratory (INEEL) operated for the U.S. Department of Energy by Bechtel-BWXT Idaho, LLC (BBWI), is chartered to restart this corrosion test and concurrently capture the available subsurface/fate and transport information. Since the work of retrieving the buried metal coupons is still in the planning stage, this paper outlines the interdisciplinary team of scientists and engineers and defines the benefits of this research to long-term stewardship, subsurface science, and infrastructure protection programs.
Date: February 24, 2003
Creator: Zirker, L.R.; Adler-Flitton, M.K. & Beitel, G.A.
Partner: UNT Libraries Government Documents Department

Nano-patterning of Co/Pt multilayers.

Description: One of the most promising new systems for both basic research and technical development are the periodic arrays of nano-magnetic elements, as shown. Such arrays show remarkably rich and novel magnetic behavior. Periodic magnetic arrays not only provide excellent opportunities for new science but also constitute a promising candidate for new applications such as high-density, patterned magnetic memory for advanced computer designs in the next decade. In the presentation they will focus on patterned [Co4 {angstrom}/Pt10 {angstrom}]n multilayers, which demonstrate an unusually strong out-of-plane magnetic anisotropy and sensitivity to structural modification. This strong out-of-plane anisotropy makes Co/Pt ML the favorite candidates for perpendicular magnetic recording. The patterned Co/Pt ML are representatives of a new generation of magnetic nanostructures with lateral dimensions in 100 nm range, and individual layer thickness approaching a monolayer scale (e.g., 4 {angstrom} of Co and 10 {angstrom} of Pt). In addition to traditional lithography, they are developing a new approach to tailoring the local magnetic properties of Co/Pt ML. In this process the local magnetic properties are modified not through conventional modulation of the chemical composition, but through structural modification induced by low energy ion implantation.
Date: July 24, 2001
Creator: Metlushko, V.; Crabtree, G.; Welp, U.; Vlasko-Vlasov, V.; Baldo, P.; Rehn, L. E. et al.
Partner: UNT Libraries Government Documents Department

Initial Stages of Yield in Nanoindentation

Description: We have used the Interracial Force Microscope" to perform nanoindentations on Au single- crystal surfaces. We have observed two distinct regimes of plastic deformation which are distinguished by the magnitude of discontinuities in load relaxation. At lower stresses, relaxation occurs in small deviations from elastic behavior, while at the higher stresses they take the form of large load drops often resulting in complete relaxation of the applied load. These major events create a relatively wide plastic zone that subsequently deepens more rapidly than it widens. We discuss these findings in terms of contrasting models of dislocation processes in the two regimes.
Date: November 24, 1998
Creator: Houston, J.E.; Jarausch, K.F.; Kiely, J.D. & Russell, P.E.
Partner: UNT Libraries Government Documents Department