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Analysis of Lid Tank Neutron Data for Lead and Iron

Description: Abstract: An analysis of the lid tank neutron data for Pb-H2O and Fe-H2O is made. "Effective" fast neutron cross sections for the metals are obtained. This is based on the "one collision theory" of shielding. Values are 3.4 barns for Pb and 2.0 barns for Fe. These compare very well with those obtained by Albert and Welton based on other lid tank data and another method of calculation.
Date: January 5, 1951
Creator: Podgor, S.
Partner: UNT Libraries Government Documents Department

Clean ferrous casting technology research. Final technical report, September 29, 1993--December 31, 1995

Description: This is the final report covering work performed on research into methods of attaining clean ferrous castings. In this program methods were developed to minimize the formation of inclusions in steel castings by using a variety of techniques which decreased the tendency for inclusions to form during melting, casting and solidification. In a second project, a reaction chamber was built to remove inclusions from molten steel using electromagnetic force. Finally, a thorough investigation of the causes of sand penetration defects in iron castings was completed, and a program developed which predicts the probability of penetration formation and indicates methods for avoiding it.
Date: January 31, 1996
Creator: Bates, C.E.; Griffin, J.; Giese, S.R. & Lane, A.M.
Partner: UNT Libraries Government Documents Department

Determination of site-occupancies in aluminide intermetallics by ALCHEMI

Description: The site-distributions of Fe in four B2-ordered NiAl-based alloys with Fe concentrations of 10%, 2%, and 0.5% have been determined by ALCHEMI (atom-location by channeling-enhanced microanalysis). Site-distributions have been extracted with standard errors between {approximately} 1.5% (10% Fe concentration) and {approximately} 6% (0.5% Fe concentration). The results show that Fe has no strong site-preference in NiAl and tends to reside on the site of the stoichiometrically deficient host element. An improved ALCHEMI analysis procedure is outlined. The analysis explicitly addresses the phenomenon of ionization delocalization, which previously complicated the determination of site-distributions in aluminide intermetallics, leading to inaccurate and oftentimes nonphysical results. The improved ALCHEMI analysis also addresses the presence of anti-site defects. The data acquisition conditions have been optimized to minimize the sources of statistical and systematic error. This optimized procedure should be suitable for all analyses of B2-ordered alloys. Several analyses at different channeling orientations show that the extracted site-occupancies are robust as long as the data are acquired at orientations that are remote from any major pole of the crystal.
Date: April 1, 1995
Creator: Anderson, I. M.; Bentley, J. & Duncan, A. J.
Partner: UNT Libraries Government Documents Department

Catalytic conversion of light alkanes-proof-of-concept stage - Phase IV. Topical report, February 1, 1994--January 31, 1995

Description: This report details the research performed on Phase IV of the extended Cooperative Agreement. This Phase, entitled C{sub 1}-C{sub 4} Research, provides the research support which accompanies the C{sub 4} Proof-of-Concept Phase (Phase V) as the two major activities of the Cooperative Agreement during calendar 1993. It is the objective of this phase to understand the nature of the catalysts and catalytic activity of perhaloporphyrin complexes uncovered during Phases I-III in order that superior catalytic materials can be made and tested which meet commercial criteria for the oxidation of the C{sub 1}-C{sub 4} light alkane gases found in natural gas and other available hydrocarbon streams. During Phase IV, we have examined the physical and electronic structures of the very active perhaloporphyrin catalysts which we have developed, and have gained an understanding of the properties which make them active. This has led us to design and synthesize materials which are cheaper, more active, more robust and, in general superior for carrying out practical catalysis. Our early generation perhaloporphyrin catalysts, while exhibiting unprecedented catalytic activity, were far too expensive for use in converting natural gas or its C{sub 1}-C{sub 4} components.
Date: December 31, 1998
Partner: UNT Libraries Government Documents Department

Technology Development for Iron Fischer-Tropsch Catalysis.

Description: The goal of the proposed work is the development of iron-based Fischer-Tropsch catalysts that combined high activity, selectivity and life with physical robustness for slurry phase reactors that will produce either low-alpha or high-alpha products. The catalyst that is developed will be suitable for testing at the Advanced Fuels Development Facility at LaPorte, Texas or similar sized plant. Previous work by the offeror has produced a catalyst formulation that is 1.5 times as active as the `standard-catalyst` developed by German workers for slurry phase synthesis. The proposed work will optimize the catalyst composition and pretreatment operation for this low-alpha catalyst. In parallel, work will be conducted to design a high-alpha iron catalyst that is suitable for slurry phase synthesis. Studies will be conducted to define the chemical phases present at various stages of the pretreatment and synthesis stages and to define the course of these changes. The oxidation/reduction cycles that are anticipated to occur in large, commercial reactors will be studied at the laboratory scale. Catalyst performance will be determined for catalysts synthesized in this program for activity, selectivity and aging characteristics.
Date: December 16, 1997
Creator: Davis, B.H.
Partner: UNT Libraries Government Documents Department

Correlation effects in the iron pnictides

Description: One of the central questions about the iron pnictides concerns the extent to which their electrons are strongly correlated. Here we address this issue through the phenomenology of the charge transport and dynamics, single-electron excitation spectrum, and magnetic ordering and dynamics. We outline the evidence that the parent compounds, while metallic, have electron interactions that are sufficiently strong to produce incipient Mott physics. In other words, in terms of the strength of electron correlations compared to the kinetic energy, the iron pnictides are closer to intermediately-coupled systems lying at the boundary between itinerancy and localization, such as V{sub 2}O{sub 3} a or Se-doped NiS{sub 2} , rather than to simple antiferromagnetic metals like Cr. This level of electronic correlations produces a new small parameter for controlled theoretical analyses, namely the fraction of the single-electron spectral weight that lies in the coherent part. Using this expansion parameter, we construct the effective low-energy Hamiltonian and discuss its implications for the magnetic order and magnetic quantum criticality. Finally, this approach sharpens the notion of magnetic frustration for such a metallic system, and brings about a multi band matrix t-J{sub 1}-J{sub 2} model for the carrier-doped iron pnictides.
Date: January 1, 2009
Creator: Zhu, Jian-xin; Si, Qimiao; Abrahams, Elihu & Dai, Jianhui
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

Evaluation of fine-particle size catalysts using standard test procedures

Description: The goal of this project is to evaluate and compare the activities/selectivities of fine-particle size catalysts being developed in the DOE/PETC Advanced Research (AR) Liquefaction Program by using standard coal liquefaction activity test procedures. Since bituminous and subbituminous coals have significantly different properties, it is feasible that catalysts may perform differently with these coal types. Because all previous testing has been done with the DECS-17 Blind Canyon bituminous coal, it is important to develop the capability of evaluating catalysts using a subbituminous coal. Initial efforts towards developing a subbituminous coal test are aimed at comparing the reactivities of the Wyodak subbituminous coal and the Blind Canyon bituminous coal. Therefore, the same factorial experimental design was used with the Wyodak coal as was used previously with the Blind Canyon coal. In addition, PNL`s 6-line ferrihydrite catalyst precursor was used in the development of the Wyodak coal test procedure because this catalyst is the best powder catalyst found to date in Sandia`s tests with Blind Canyon coal. Results show that Blind Canyon coal yields higher DHP amounts in the reaction products and higher tetrahydrofuran conversions at the higher severity conditions. Wyodak coal gives higher heptane conversions and higher gas yields for all conditions tested.
Date: July 1, 1996
Creator: Stohl, F.V.; Diegert, K.V. & Goodnow, D.C.
Partner: UNT Libraries Government Documents Department

Advanced direct liquefaction concepts for PETC generic units phase II. Quarterly technical progress report, April--June 1996

Description: A catalyst screening test (CST) was developed to evaluate the activity of various catalyst precursors for their liquefaction activity in a solvent comprising the solids-free components of a recycle solvent generated at Wilsonville, namely a ROSE SR V-130 deashed resid from period A and V-1074 heavy distillate from period B. Since the deashed resid has an elemental composition very nearly the same distillate from period B. Since the deashed resid has an elemental composition very nearly the same as in the solids-free fraction of the recycle solvent, the reactivity of these two resid and dry coal are nearly the same as in Run 263J, the overall composition should approximate the feed stream used in the Wilsonville pilot plant except for the absence of the solids component. Removing the solids from the reaction mixture should simplify the interpretation of the results since normally a considerable amount or recycled catalyst is contained in this fraction.
Date: August 1, 1996
Partner: UNT Libraries Government Documents Department

Technology development for iron fischer-tropsch catalysis

Description: The goal of the proposed work is the development of iron-based Fischer-Tropsch catalysts that combined high activity, selectivity and life with physical robustness for slurry phase reactors that will produce either low-alpha or high-alpha products. The catalyst that is developed will be suitable for testing at the Advanced Fuels Development Facility at LaPorte, Texas or similar sized plant. Previous work by the offeror has produced a catalyst formulation that is 1.5 times as active as the `standard-catalyst` developed by German workers for slurry phase synthesis. The proposed work will optimize the catalyst composition and pretreatment operation for this low- alpha catalyst. In parallel, work will be conducted to design a high- alpha iron catalyst that is suitable for slurry phase synthesis. Studies will be conducted to define the chemical phases present at various stages of the pretreatment and synthesis stages and to define the course of these changes. The oxidation/reduction cycles that are anticipated to occur in large, commercial reactors will be studied at the laboratory scale. Catalyst performance will be determined for 5 catalysts synthesized in this program for activity, selectivity and aging characteristics.
Date: May 14, 1997
Creator: Davis, B.H.
Partner: UNT Libraries Government Documents Department

Attempt to control the interfacial strength

Description: Composites consisting of a B2 iron aluminide matrix and 40 vol.% of TiB{sub 2} particles were processed by liquid phase sintering. In order to encourage segregation of B or Ti at the FeAl/TiB{sub 2} interfaces, the iron aluminide matrix was microalloyed with B or Ti, respectively. Additions of Ti degraded the mechanical properties. However, for composites microalloyed with B, room temperature flexure tests show slight increases in the maximum strength (from 1250 to 1380 MPa) and the fracture toughness. Interfacial segregation of B may have contributed to this result. Significantly improved processing of the composites would be required in order to verify the effect of B conclusively. 15 refs., 6 figs., 2 tabs.
Date: November 1, 1997
Creator: Schneibel, J.H. & Subramanian, R.
Partner: UNT Libraries Government Documents Department

X-ray absorption spectroscopic studies of mononuclear non-heme iron enzymes

Description: Fe-K-edge X-ray absorption spectroscopy (XAS) has been used to investigate the electronic and geometric structure of the iron active site in non-heme iron enzymes. A new theoretical extended X-ray absorption fine structure (EXAFS) analysis approach, called GNXAS, has been tested on data for iron model complexes to evaluate the utility and reliability of this new technique, especially with respect to the effects of multiple-scattering. In addition, a detailed analysis of the 1s{yields}3d pre-edge feature has been developed as a tool for investigating the oxidation state, spin state, and geometry of iron sites. Edge and EXAFS analyses have then been applied to the study of non-heme iron enzyme active sites.
Date: January 1, 1996
Creator: Westre, T.E.
Partner: UNT Libraries Government Documents Department

Novel bimetallic dispersed catalysts for temperature-programmed coal liquefaction. Quarterly technical progress report, July--September 1995

Description: Coal liquefaction involves cleavage of methylene, dimethylene and ether bridges connecting polycyclic aromatic units and the reactions of various oxygen functional groups. Here in this quarterly, we report on the hydrocracking of 4-(l-naphthylmethyl)bibenzyl in the presence of iron (Fe) catalysts and sulfur and residual wall catalytic effect. Catalytic hydrocracking of 4-(1-naphthylmethyl)bibenzyl (NMBB) predominantly yielded naphthalene and 4-methylbibenzyl. Various iron compounds were examined as catalyst precursors. Sulfur addition to most catalyst precursors led to substantially higher catalyst activity and higher conversion. NMBB was also treated with sulfur in the absence of iron compounds, in concentrations of 1.2-3.4 wt%, corresponding to the conditions present in reactions with added iron compounds. Increasing sulfur concentrations led to higher NMBB conversions. Furthermore, sulfur had a permanent effect on the reactor walls. A black sulfide layer formed on the surface which could not be removed mechanically. The supposed non-catalytic reactions done in the same reactor but after experiments with added sulfur showed higher conversions than comparable experiments done in new reactors. This wall catalytic effect can be reduced by treating the sulfided reactors with hydrochloric acid. The results of this work demonstrate the significant effect of sulfur addition and sulfur-induced residual wall effects on carbon-carbon bond cleavage and hydrogenation of aromatics.
Date: January 1, 1996
Creator: Song, Chunshan; Schmidt, E. & Schobert, H.H.
Partner: UNT Libraries Government Documents Department

Dynamics of nucleation in chemical vapor deposition

Description: We study the evolution of layer morphology during the early stages of metal chemical vapor deposition (CVD) onto Si(100) via pyrolysis of Fe(CO){sub 5} below 250{degrees}C. Scanning tunneling microscopy (STM) shows that nuclei formation is limited by precursor dissociation which occurs on terraces, not at step sites. Also, the average size of clusters formed during CVD is larger than for Fe growth by evaporation (a random deposition process). Based on STM data and Monte Carlo simulations, we conclude that the CVD-growth morphology is affected by preferential dissociation of Fe(CO){sub 5} molecules at existing Fe clusters -- an autocatalytic effect. We demonstrate that nucleation kinetics can be used to control formation of metal nanostructures on chemically tailored surfaces. Reactive sites on Si (001) are first passivated by hydrogen. H atoms are locally removed by electron stimulated desorption using electrons emitted from the STM tip. Subsequent pyrolysis of Fe(CO){sub 5} leads to selective nucleation and growth of Fe films in the areas where H has been removed.
Date: November 1, 1995
Creator: Mayer, T.M.; Adams, D.P.; Swartzentruber, B.S. & Chason, E.
Partner: UNT Libraries Government Documents Department

The development of precipitated iron catalysts with improved stability; Final report, September 1987--September 1992

Description: Precipitated iron catalysts are expected to be used in next generation slurry reactors for large-scale production of transportation fuels from synthesis gas. These reactors are expected to operate at higher temperatures and lower H{sub 2}:CO ratios relative to the Sasol Arge reactor (Table 1A). The feasibility of using iron catalysts has been demonstrated under relatively mild Arge-type conditions but not under more severe slurry conditions. Possibly, an improvement in catalytic stability will be needed to make iron catalysts suitable for slurry operation. This program was aimed at identifying the chemical principles governing the deactivation of precipitated iron catalysts during Fischer-Tropsch synthesis and use of these chemical principles in the design of more stable catalysts. A new precipitated Fe catalyst was developed in this program for slurry reactor operation. The new Fe catalyst is predicted to perform slightly below the performance targets for slurry bubble column operation. Stability targets appear to be achievable. This catalyst did not noticeably deactivate during 1,740 hours on-stream. Compared to the selectivity target, an excess of 2% C{sub 1} + C{sub 2} was formed at 265{degrees}C. Based on the initial catalyst inventory in the autoclave, the catalyst seems to be short of the activity target by a factor of 1.8 at 265{degrees}C and 1.3 at 275{degrees}C. However, actual specific activities are likely to be closer to target because of catalyst inventory loss across the filter during the run and because catalytic activities were underestimated at low conversions.
Date: December 27, 1993
Creator: Abrevaya, H.
Partner: UNT Libraries Government Documents Department