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Thermodynamic ground states of platinum metal nitrides

Description: We have systematically studied the thermodynamic stabilities of various phases of the nitrides of the platinum metal elements using density functional theory. We show that for the nitrides of Rh, Pd, Ir and Pt two new crystal structures, in which the metal ions occupy simple tetragonal lattice sites, have lower formation enthalpies at ambient conditions than any previously proposed structures. The region of stability can extend up to 17 GPa for PtN{sub 2}. Furthermore, we show that according to calculations using the local density approximation, these new compounds are also thermodynamically stable at ambient pressure and thus may be the ground state phases for these materials. We further discuss the fact that the local density and generalized gradient approximations predict different values of the absolute formation enthalpies as well different relative stabilities between simple tetragonal and the pyrite or marcasite structures.
Date: October 9, 2007
Creator: Aberg, D; Sadigh, B; Crowhurst, J & Goncharov, A
Partner: UNT Libraries Government Documents Department

Selection of replacement material for the failed surface level gauge wire in Hanford waste tanks

Description: Surface level gauges fabricated from AISI Type 316 stainless steel (316) wire failed after only a few weeks of operation in underground storage tanks at the Hanford Site. The wire failure was determined to be due to chloride ion assisted corrosion of the 316 wire. Radiation-induced breakdown of the polyvinyl chloride (PVC) riser liners is suspected to be the primary source of the chloride ions. An extensive literature search followed by expert concurrence was undertaken to select a replacement material for the wire. Platinum (Pt){minus}20 % Iridium (Ir) alloy was selected as the replacement material from tile candidate materials, P-20% Ir, Pt-1O% Rhodium (Rh), Pt-20%Rh and Hastelloy C-22. The selection was made on the basis of the alloy`s immunity towards acidic and basic environments as well as its adequate tensile properties in the fully annealed state.
Date: October 1, 1995
Creator: Anantatmula, R.P.; Pitman, S.G. & Lund, A.L.
Partner: UNT Libraries Government Documents Department

Vitrification of noble metals containing NCAW simulant with an engineering scale melter (ESM): Campaign report

Description: ESM has been designed as a 10th-scale model of the DWPF-type melter, currently the reference melter for nitrification of Hanford double shell tankwaste. ESM and related equipment have been integrated to the existing mockup vitrification plant VA-WAK at KfK. On June 2-July 10, 1992, a shakedown test using 2.61 m{sup 3} of NCAW (neutralized current acid waste) simulant without noble metals was performed. On July 11-Aug. 30, 1992, 14.23 m{sup 3} of the same simulant with nominal concentrations of Ru, Rh, and Pd were vitrified. Objective was to investigate the behavior of such a melter with respect to discharge of noble metals with routine glass pouring via glass overflow. Results indicate an accumulation of noble metals in the bottom area of the flat-bottomed ESM. About 65 wt% of the noble metals fed to the melter could be drained out, whereas 35 wt% accumulated in the melter, based on analysis of glass samples from glass pouring stream in to the canisters. After the melter was drained at the end of the campaign through a bottom drain valve, glass samples were taken from the residual bottom layer. The samples had significantly increased noble metals content (factor of 20-45 to target loading). They showed also a significant decrease of the specific electric resistance compared to bulk glass (factor of 10). A decrease of 10- 15% of the resistance between he power electrodes could be seen at the run end, but the total amount of noble metals accumulated was not yet sufficient enough to disturb the Joule heating of the glass tank severely.
Date: March 1, 1996
Creator: Grunewald, W.; Roth, G.; Tobie, W.; Weisenburger, S.; Weiss, K.; Elliott, M. et al.
Partner: UNT Libraries Government Documents Department

Solid state device for two-wire downhole temperature measurement as a function of current. Final performance technical report

Description: Several metals systems were reviewed for their potential to act as resistive temperature devices. Platinum metal was selected as the metal of choice. Platinum was plated onto 5 mil copper wire, and then subsequently coated with Accusol's proprietary ceramic coating. The copper was etched out in an attempt to make a pure platinum, high resistive, resistive-temperature device. The platinum plating on the wire cracked during processing, resulting in a discontinuous layer of platinum, and the element could not be formed in this way.
Date: January 15, 2002
Creator: Anderson, Roger & Anderson, David
Partner: UNT Libraries Government Documents Department

On the Hardening and Softening of Nanocrystalline Materials

Description: Nanocrystalline Pd and Cu samples have been thermally treated to determine whether the relation between hardness and grain size depend on the method used to vary the grain sizes. Previous reports indicate that hardening with decreasing grain size resulted from data obtained using individual samples, while softening with decreasing grain size resulted from data from a given sample that had been thermally treated. Hardening and softening regimes were evident for the nanocrystalline cu, and the hardness improvements over the original as-consolidated state were maintained throughout the thermal treatments. This review examines our hardness results for Cu and Pd and those for other nanocrystalline materials.
Date: April 1, 1993
Creator: Fougere, G. E.; Weertman, J. R. & Siegel, R. W.
Partner: UNT Libraries Government Documents Department

Catalytic oxidation of secondary alcohols

Description: The dioxygen oxidation of alcohols over platinum catalysts has been known for a long time. While of potential importance in synthetic procedures, this process has never found extensive use except in carbohydrate oxidations. Some reasons for this is the fact that this reaction only appears to work well in an aqueous medium in the presence of rather large amounts of a Pt black catalyst. Results obtained here show that supported Pt catalysts can be used to promote this oxidation in organic solvents provided a small amount of water is added to the reaction medium. It was also estabilished that the reaction takes place on the more coordinately unsaturated corner atoms on the Pt surface.
Date: January 1, 1992
Creator: Augustine, R.L. & Doyle, L.K.
Partner: UNT Libraries Government Documents Department

Initial calorimetry experiments in the Physics Division, ORNL (Oak Ridge National Laboratory)

Description: Four calorimetry experiments were performed with palladium cathode electrolysis cells to investigate the possibility of cold fusion heat production based on the reported results of Fleischmann and Pons. Two of the cells contained 6.35-mm-diam {times} 10-cm-long palladium cathodes in a 0.2-M {sup 6}LiOD electrolyte; one cell contained a similar cathode in a 0.1-M {sup 6}LiOD electrolyte solution; and one cell used a cast 1.27-cm-diam {times} 10-cm long palladium rod in a 0.2-M electrolyte. All four cells were constructed with platinum wire anodes. One of the cells exhibited an apparent 2-3 W power excess for a period of approximately 300 hours of a total operating time of 1800 hours; each of the remaining cells remained in power balance for the 1800 hour period. 2 refs., 5 figs.
Date: January 1, 1989
Creator: Hutchinson, D.P.; Bennett, C.A.; Richards, R.K.; Bullock, J. IV. & Powell, G.L.
Partner: UNT Libraries Government Documents Department

Recovery of deformed and hydrogen-charge palladium

Description: Positron lifetime and Doppler-broadening studies made at 300 K have been used to investigate the interaction between interstitial hydrogen and lattice defects in deformed Pd. Specimens were charged with hydrogen at 300 K to levels up to 0.1%. The presence of hydrogen was found to have no effect on the recovery curves of Pd upon annealing to 400/sup 0/C. By 400/sup 0/C the values for both lifetime and Doppler-broadening for both cold worked and cold worked plus hydrogen were below the values obtained for annealed pure Pd. This can be interpreted as gaseous-impurity-trapped vacancies being present after the 1200/sup 0/C anneal, but being swept away by the dislocation microstructure recovery between 200 to 400/sup 0/C.
Date: January 1, 1982
Creator: Snead, C.L. Jr.; Lynn, K.G. & Lynch, J.F.
Partner: UNT Libraries Government Documents Department

Controlled-potential-coulometric determination of uranium at a platinum electrode

Description: A controlled-potential-coulometric method has been developed for determining uranium at a solid electrode which features high specificity and a precision of 0.1% relative standard deviation at the 5 mg uranium level. Uranium and added iron, necessary for the electrolytic oxidation of uranium, are reduced to U(IV) and Fe(II) with excess Cr(II). At a sequence of controlled potentials, the excess Cr(II) is oxidized to Cr(III), Fe(II) and U(IV) are oxidized to Fe(III) and U(VI), then the Fe(III) is reduced to Fe(II). The difference in the measured number of coulombs for the oxidation of Fe(II) and U(IV) and for the reduction of Fe(III) to Fe(II) is proportional to the quantity of uranium.
Date: January 1, 1983
Creator: Saponara, N.M. & Jackson, D.D.
Partner: UNT Libraries Government Documents Department

Geochemical anomalies near the Eocene-Oligocene and Permian-Triassic boundaries

Description: Evidence is presented to support the theory that several mass extinctions, i.e., those that define the Permian-Triassic boundary, the Cretaceous-Tertiary boundary, and the Eocene-1 Oligocene boundary, were caused by impact on the earth of extraterrestrial objects having the composition of carbonaceous chondrites and diameters of about 10 km. The evidence consists of anomalously high concentrations of iridium and other siderophile elements at the stratigraphic levels defining the extinctions. (ACR)
Date: October 1, 1981
Creator: Asaro, F.; Alvarez, L.W.; Alvarez, W. & Michel, H.V.
Partner: UNT Libraries Government Documents Department

Study of mechanisms of hydrogen diffusion in separation devices. Third annual report, 1979-1980

Description: The main results are in the following three areas: (1) examination of a diffusion model for PdH system, (2) connection between the diffusion model and other physical models, (3) related problems. Advances made during the third year of this project, particularly in understanding the physical model for hydrogen diffusion, make it possible to begin to meet some of the long-range objectives described in the initial proposals of 1977-1978.
Date: April 5, 1980
Creator: Lee, M.H.
Partner: UNT Libraries Government Documents Department

Mass spectrometric analysis of nanogram levels of ruthenium

Description: Previous investigations have demonstrated the possibility of using ruthenium originating from the spontaneous fission of /sup 238/U for geochronological purposes. Because the abundance of ruthenium is low in geologic specimens and isotopic data are required, an indepth study of the production of steady mass spectrometer ion beams from nanogram amounts of ruthenium was undertaken. The results of this continuing mass spectrometric investigation are presented with some illustrative data.
Date: January 1, 1979
Creator: Delmore, J.E.
Partner: UNT Libraries Government Documents Department

A Frontier Molecular Orbital determination of the active sites on dispersed metal catalysts

Description: An angular overlap calculation has been used to determine the s, p and d orbital energy levels of the different types of surface sites present on a dispersed metal catalysts. The basis for these calculations is the reported finding that a large number of catalyzed reactions take place on single atom active sites on the metal surface. Thus, these sites can be considered as surface complexes made up of the central active atom surrounded by near-neighbor metal atom ligands'' with localized surface orbitals perturbed only by these ligands''. These complexes'' are based on a twelve coordinate species with the ligands'' attached to the t{sub 2g} orbitals and the coordinate axes coincident with the direction of the e{sub g} orbitals on the central atom. These data can permit a Frontier Molecular Orbital treatment of specific site activities as long as the surface orbital availability for overlap with adsorbed substrates is considered along with its energy value and symmetry.
Date: January 1, 1992
Creator: Augustine, R.L. & Lahanas, K.M.
Partner: UNT Libraries Government Documents Department

FreedomCAR - Aftertreatment Subsystem Development

Description: The primary objective of this program was to develop generic aftertreatment technologies applicable for LDV and LDT engines ranging from 55 kW to 200kW, to develop an optimized and integrated aftertreatment system for a LDT (Light Duty Truck) type vehicle, and to demonstrate the technology which will enable light duty diesel engines to meet Federal Tier II regulation with minimum impact on fuel economy. Specifically, the development targets for emissions reduction and fuel injection penalty are given below: (1) NOx conversion efficiency > 90% (hot), > 84% (combined); (2) PM conversion efficiency > 90% (hot), > 84% (combined); (3) Fuel penalty over FTP-75 Less than 5%; and (4) Fuel penalty at Cruise condition Less than 3%. Development of cost-effective, highly efficient diesel exhaust aftertreatment systems in combination with very low engine out emission combustion development are essential elements for realization of Federal Tier II emission standards for Light Duty Trucks and Vehicles. Evaluation of several aftertreatment technologies was completed as part of this program. A combination of Diesel Oxidation Catalyst, NOx Adsorbing Catalyst and Catalyzed Soot Filter was found to provide the levels of conversion efficiency required to achieve the emission targets. While early systems required relatively large catalyst volumes, external dosing, sulfur traps, full bypass configurations and high levels of Platinum metals; the final system is a compact, scalable, flow-through, fully-integrated and engine-managed aftertreatment system capable of commercial application for Light Duty Vehicles and Trucks. NOx adsorber/particulate filter technology is particularly attractive for Light Duty applications due to the lower exhaust flow and temperature requirements as compared to Heavy Duty engines. Despite these strong positive aspects, NOx Adsorbers are challenged by their regeneration requirements and susceptibility to sulfur poisoning and thermal degradation. Capability was developed to regenerate the NOx Adsorber for NOx and SOx as well as the Particulate ...
Date: September 30, 2005
Creator: Prentiss, Lisa A.
Partner: UNT Libraries Government Documents Department

Atomic and electronic structure of metals and alloys: Clean surfaces and chemisorbed molecules

Description: The accomplishments of the work done under DOE sponsorship are summarized in the list of publications at the end of this narrative. Here we give a brief description of the nature and the significance of the accomplishments. The activity can be roughly subdivided into three parts: studies of surface alloys, studies of epitaxial ultra-thin films, and studies of electron band structure of metals. The list reflects the developments of particular areas of research and the phasing out of others as this was suggested by the interest in, and the success of, specific experimental projects.
Date: November 26, 1991
Partner: UNT Libraries Government Documents Department

Cost estimate for muddy water palladium production facility at Mound

Description: An economic feasibility study was performed on the ''Muddy Water'' low-chlorine content palladium powder production process developed by Mound. The total capital investment and total operating costs (dollars per gram) were determined for production batch sizes of 1--10 kg in 1-kg increments. The report includes a brief description of the Muddy Water process, the process flow diagram, and material balances for the various production batch sizes. Two types of facilities were evaluated--one for production of new, ''virgin'' palladium powder, and one for recycling existing material. The total capital investment for virgin facilities ranged from $600,000 --$1.3 million for production batch sizes of 1--10 kg, respectively. The range for recycle facilities was $1--$2.3 million. The total operating cost for 100% acceptable powder production in the virgin facilities ranged from $23 per gram for a 1-kg production batch size to $8 per gram for a 10-kg batch size. Similarly for recycle facilities, the total operating cost ranged from $34 per gram to $5 per gram. The total operating cost versus product acceptability (ranging from 50%--100% acceptability) was also evaluated for both virgin and recycle facilities. Because production sizes studied vary widely and because scale-up factors are unknown for batch sizes greater than 1 kg, all costs are ''order-of-magnitude'' estimates. All costs reported are in 1987 dollars.
Date: November 30, 1988
Creator: McAdams, R.K.
Partner: UNT Libraries Government Documents Department

The calculation of surface orbital energies for specific types of active sites on dispersed metal catalysts

Description: An angular overlap calculation has been used to determine the s, p, and d orbital energy levels of the different types of surface sites present on dispersed metal catalysts. These data can permit a Frontier Molecular Orbital treatment of specific site activities as long as the surface orbital availability for overlap with adsorbed substrates is considered along with its energy value and symmetry.
Date: January 1, 1992
Creator: Augustine, R.L.; Lahanas, K.M. & Cole, F.
Partner: UNT Libraries Government Documents Department

Optical constants and scattering factors from reflectivity measurements: 50 eV to 5 keV

Description: An improved reflection technique has been introduced to permit more accurate measurements of material optical constants [delta] and [beta], the density [rho], and from these the atomic scattering factors f [prime] and f [double prime]. Regions of normal and anomolous dispersion can be measured with resolving power 1000 or larger using a portable reflectometer that is moved to any of three beamlines at NSLS or two at CHESS. Herein the reflectometer and measurement techniques are described together with sample characteristics and preliminary results for the Ni LIII edge and the M edges of Au, Pt, and Ir. The primary accuracy limiting factors are density determination, accumulation of surface oxides or carbonaceous deposits, and synchrotron orbit stability. Each sample must be prepared for the specific energy range to be measured so that model fitting routines have the minimum possible number of free variables.
Date: January 1, 1992
Creator: Blake, R.L.; Davis, J.C. (Los Alamos National Lab., NM (United States)); Graessle, D.E.; Burbine, T.H. (Smithsonian Astrophysical Observatory, Cambridge, MA (United States)) & Gullikson, E.M. (Lawrence Berkeley Lab., CA (United States))
Partner: UNT Libraries Government Documents Department

Study of muonic atoms in the A = 40 to 70 and A = 100 to 130 mass regions (nuclear charge radii, isotope and isotone shifts) and in the Sm-Gd and W-Os-Pt transition regions (electric monopole and quadrupole moments). Progress report No. 5, December 1, 1979-October 15, 1980. [Dept. of Physics, Purdue Univ. , 12/1/79-10/15/80]

Description: The muonic x-ray spectra of the stable Ru and Pd isotope have been measured, and the data have been analyzed in terms of the effective Barrett radii and in terms of isotope shifts. The effects of the neutron subshell closure on the ..delta..N = 2 isotopes shifts at N = 56 is much smaller in the Ru (Z = 44) isotopes as compared to the recently observed effect in the Mo (Z = 42) isotope shifts. This is the first time a pronounced difference in ..delta..N = 2 isotope shifts has been observed for different values of Z. The muonic x-ray measurements on 24 stable isotopes of Cd, Sn, Te, and Ba have been completed and the analysis of the 74 spectra (including calibration spectra) is progressing. The work on the quadrupole parameters of the even-A Os nuclei has been completed. The analysis of the muonic x-ray spectra of the even-A Gd isotopes is near completion. Monopole and quadrupole charge parameters of the 0/sub g//sup +/ and 2/sub g//sup +/ states (and in the case of /sup 160/Gd, of the 3/sup -/ state) have been determined. The model dependence of extracting point-quadrupole matrix elements from muonic x-ray measurements has been carefully investigated. It was found that neither the ..beta..-vibration nor the ..gamma..-vibration modes influence the value of the extracted point moments by more than 2 percent. The problem of nuclear polarization corrections was examined.
Date: October 1, 1980
Creator: Steffen, R M
Partner: UNT Libraries Government Documents Department

High temperature behavior of metallic inclusions in uranium dioxide

Description: The object of this thesis was to construct a temperature gradient furnace to simulate the thermal conditions in the reactor fuel and to study the migration of metallic inclusions in uranium oxide under the influence of temperature gradient. No thermal migration of molybdenum and tungsten inclusions was observed under the experimental conditions. Ruthenium inclusions, however, dissolved and diffused atomically through grain boundaries in slightly reduced uranium oxide. An intermetallic compound (probably URu/sub 3/) was formed by reaction of Ru and UO/sub 2-x/. The diffusivity and solubility of ruthenium in uranium oxide were measured.
Date: August 1, 1980
Creator: Yang, R.L.
Partner: UNT Libraries Government Documents Department

Direct observations of the primary state of radiation damage of ion-irradiated tungsten and platinum

Description: A brief summary was presented of all the Cornell work on the primary state of radiation damage in ion-irradiated tungsten and platinum. The primary research tool for all this research was the field-ion microscope (FIM); the FIM was ideally suited for this research because of its excellent atomic resolution and the ability to examine the interior of the specimens, as a result of the field-evaporation effect. This paper summarized, in outline form, the following items: (1) the principal experimental quantities determined from the analyses performed on all the individual depleted zones (DZs) observed; (2) the main experimental programs; (3) a number of the more important results and conclusions concerning the vacancy structure of DZs; and (4) the three-dimensional spatial distribution of self-interstitial atoms around DZs in tungsten which had been irradiated and examined in situ at 10/sup 0/K.
Date: July 1, 1980
Creator: Seidman, D. N.; Current, M. I.; Pramanik, D. & Wei, C. Y.
Partner: UNT Libraries Government Documents Department