This project seeks to develop a technique, based on coal surface properties, for highly dispersing catalysts in coal for gasification and to investigate the potential of using potassium carbonate and calcium acetate mixtures as catalysts for coal gasification. The work is focused on the elucidation of coal-catalyst precursor interactions in solution and the variables which control the adsorption and dispersion of coal gasification metal catalysts. In order to optimize coal-metal ion interactions and hence maximize catalyst activity, the study examines the surface electrochemistry of a lignite, a subbituminous, and a bituminous coals and their demineralized and oxidized derivatives prior to loading with the catalytic materials. The surface electrical properties of the coals are investigated with the aid of electrophoresis, while the effects of the surface charge on the adsorption of K{sup +} and Ca{sup 2+} are studied by agitating the coals with aqueous solutions of potassium and calcium. Zeta potential studies show that the surfaces of the lignite are negatively charged between about pH2 to 11, the negative charge density increasing with increase in pH. Highly alkaline media promoted calcium adsorption due to high negative charge on the coal, while calcium uptake was inhibited in strongly acidic solutions.

This report documents the Environmental Transport Section`s (ETS) two-dimensional, sequential gaussian puff transport and dispersion model for emergency response. The sequential puff scheme is described, and the dispersion equations are presented. The advantages of this model over the ETS`s PUFF/PLUME model are discussed. Options are calculating a two-dimensional wind field, interpolation procedures, and the wind field grid are described. The various grid systems for puff transport calculations and dose estimates are also described. A flow diagram for the modules comprising the 2DPUF code and a description of each module is presented.

In 1985 the Southeastern Forest Experiment Station (SEFES) in cooperation with the Department of Energy, the Savannah River Forest Station (SRFS) and the Savannah River Ecology Laboratory (SREL) initiated a research/management program to restore a viable population of red-cockaded woodpeckers (RCW) to the Savannah River Site (SRS). We managed to stabilize the population in the first couple of years through an intensive flying squirrel removal project as well as augmentation of female RCW`s to the SRS population. We are now in the expansion phase of the project. In 1990 we have focused our efforts on: (1) developing a cavity excavation method and excavating cavities in suitable habitat; (2) flying squirrel control; (3) translocation of RCW`s; (4) monitoring clan composition and reproduction; (5) identification of old-growth stands with the potential of providing new nesting habitat to support population expansion; and (6) surveying lands near SRS where RCW`s were thought to exist. This report summarizes activities for FY 1990 and plans for FY 1991.

This overview of research conducted at ORNL in 1991 presents information on the subjects of biology, physics, and the environment. Specific topics include gene mutations in kidney disease, technology assessments in thermonuclear fusion, submarine hunting technology, ozone-safe refrigerants, optical data storage via surface enhanced raman spectroscopy, and waste mitigating microbes. (GHH)

CeCu{sub 4}A{ell} and CeCu{sub 2}Zn{sub 2}A{ell} are heavy fermion systems with extremely enhanced C/T (specific heat divided by temperature) values of 2.3 and 1.8 J/K{sup 2} respectively as T {yields} 0 K. The field dependence of the low temperature specific heat is also extreme; 11 T reduces C of CeCu{sub 4}A{ell} by more than a factor of five, 12.5 T suppresses C of CeCu{sub 2}Zn{sub 2}A{ell} about seven times. Magnetic field caused changes of the specific heat of CeCu{sub 4}A{ell} are consistent with a single ion Kondo model. Magnetic correlations are at least partially responsible for the enhanced low temperature specific heat of CeCu{sub 2}Zn{sub 2}A{ell}.

Current progress on the development of the oxygen sensor is reviewed. During this quarter the sensor seal and heating element was redesigned and prototypes were tested. A combustor experiment will be performed in the next one to two quarters. Related information on lean sensors is also reviewed. Additional testing was done on multilayer sensors pulled from storage. (SM)

Research focused on control of misfit dislocations in strained epitaxial layers of GaAs through prepatterning of the substrate. Patterning and etching trenches into GaAs substrates before epitaxial growth results in nonplanar wafer surface, which makes device fabrication more difficult. Selective ion damaging the substrate prior to growth was investigated. The question of whether the overlayer must or must not be discontinuous was addressed. The third research direction was to extend results from molecular beam epitaxially grown material to organometallic chemical vapor deposition. Effort was increased to study the patterning processes and the damage it introduces into the substrate. The research program was initiated after the discovery that 500-eV dry etching in GaAs damages the substrate much deeper than the ion range.

We have constructed an infrared stopped-flow spectrophotometer and initiated a study of the mechanisms of reactions that involve a change in the oxidation state of organometallic complexes. In this summary we highlight our results on reactions (1) that formally involve exchange of a charged species between two metal carbonyl anions, (2) that involve addition of an electron to, or removal of an electron from organometallic complexes that contain a metal-metal bond, and (3) between coordination complexes and metal carbonyl anions.

The Physics Section vacuum deposition system is available for several types of thin film techniques. This vacuum evaporation system operates in the high vacuum range. The evaporation source is a resistive heating element, either a boat or a filament design. Coating is then line of sight from the source. Substrates to be coated can have a maximum diameter of 17 inches. At this time the variations in the thickness of the coatings can be controlled, by monitor, to within about 100 angstroms. The system diagrams follow the Operation Procedures and the Sample Coating Procedures provided in this document. 3 figs.

The following are reported: structural studies (dislocation structure of Ni/Ag interphase boundary, structural complexity in grain boundaries with covalent bonding, relation between microscopic properties of two semiconducting grain boundaries and their orientations, diffraction effects due to double positioning in (111) Au bicrystals, sensitivity of diffraction profiles to grain boundary segregation, solute segregation at grain boundaries in Au, 4-body interatomic potential for Si for defect calculations); boundary migration studies (molecular dynamics study of grain boundary migration without participation of grain boundary dislocations); study of short-circuit diffusion along grain boundaries and its dependence on boundary structure; and thin-film deposition/bonding apparatus for manufacturing high-purity bicrystals.

Inspection of valves on stored uranium hexafluoride (UF{sub 6}) cylinders was initiated at the three diffusion plant sites in Oak Ridge, Tennessee, Paducah, Kentucky, and Portsmouth, Ohio as the result of the discovery of valve defects and evidence of valve leaks at the Oak Ridge K-25 plant. The coordinated inspection culminated in the identification of additional factors related to long-term safe storage of UF{sub 6}, and plans for correction of such deficiencies are presently being developed and implemented. These corrective actions supplement existing programs aimed at assurance of safe storage as summarized in the report.

Inspection of valves on stored uranium hexafluoride (UF{sub 6}) cylinders was initiated at the three diffusion plant sites in Oak Ridge, Tennessee, Paducah, Kentucky, and Portsmouth, Ohio as the result of the discovery of valve defects and evidence of valve leaks at the Oak Ridge K-25 plant. The coordinated inspection culminated in the identification of additional factors related to long-term safe storage of UF{sub 6}, and plans for correction of such deficiencies are presently being developed and implemented. These corrective actions supplement existing programs aimed at assurance of safe storage as summarized in the report.

These studies explored whether phosphoinositide (PI) has a role in plants analogous to its role in animal cells. Although no parallel activity of PI in signal transduction was found in plant cells, activity of inositol phospholipid kinase was found to be modulated by light and by cell wall degrading enzymes. These studies indicate a major role for inositol phospholipids in plant growth and development as membrane effectors but not as a source of second messengers.

Unsupported carbide powders with high specific surface area, namely {alpha}-WC (35 m{sup 2}/g, hexagonal), {beta}-WC{sub 0.61} (100 m{sup 2}/g, cubic face centered) and {beta}-WC{sub 0.5} (15 m{sup 2}/g, hexagonal) have been prepared. The key element in this preparation is the successful removal of surface polymeric carbon by careful gasification to methane by means of dihydrogen. These tungsten carbide powders have been used in catalytic reactions of oxidation of H{sub 2} and hydrogenolysis of alkanes, such as butane, hexane, and neopentane.

This year major advances have been made in 3 areas: high-lying, doubly-excited resonance states in the H{sup -}, interaction of relativistic H{sup -} ions with thin carbon foils, and multiphoton photodetachment. We plan to pursue these studies further.

This report reviews work on the optimization of film synthesized rare earth transition metal permanent magnet systems. Topics include: high coercivity in Sm-Fe-Ti-V, Sm-Fe-V, and two element systems; ThMn{sub 12} type pseudobinary SmFe{sub 12 {minus} X}T{sub X}; and sputter process control for the synthesis of precisely textured RE-TM magnetic films. (JL)

The development of a research agenda should be a direct way of portraying the scope of petroleum engineering, of identifying the critical technological issues faced by the profession,of elucidating the gaps between the existing research resources and the needs. and of outlining a program of research through which the petroleum engineering departments can be collectively of maximum service. Such an agenda would be of value to the profession of petroleum engineering, to industry and to government agencies, as well as to the faculty and students of the petroleum engineering departments. The purposes of the activity that led to this report, therefore, were to develop a statement to serve as a beginning research agenda for the petroleum engineering academic community; to bring together representatives of the petroleum engineering academic community to recognize the importance of developing a consensus posture with respect to research; and to provide a document that will assist in portraying to industry, government agencies and others the problems and needs of the petroleum engineering departments for conducting research. Contents of this report include; introduction; the background; the scope of petroleum engineering research; priority research topics and technological issues; non-technological research issues; and conclusions and recommendations.

The development of a research agenda should be a direct way of portraying the scope of petroleum engineering, of identifying the critical technological issues faced by the profession,of elucidating the gaps between the existing research resources and the needs. and of outlining a program of research through which the petroleum engineering departments can be collectively of maximum service. Such an agenda would be of value to the profession of petroleum engineering, to industry and to government agencies, as well as to the faculty and students of the petroleum engineering departments. The purposes of the activity that led to this report, therefore, were to develop a statement to serve as a beginning research agenda for the petroleum engineering academic community; to bring together representatives of the petroleum engineering academic community to recognize the importance of developing a consensus posture with respect to research; and to provide a document that will assist in portraying to industry, government agencies and others the problems and needs of the petroleum engineering departments for conducting research. Contents of this report include; introduction; the background; the scope of petroleum engineering research; priority research topics and technological issues; non-technological research issues; and conclusions and recommendations.

SRS reactor charges are designed to ensure the reactor remains subcritical during chargeback and shutdown conditions. Calculations have recently been performed to determine the shutdown k{sub eff} for the K-14 charge. This document discusses the results and uncertainties.

SRS reactor charges are designed to ensure the reactor remains subcritical during chargeback and shutdown conditions. Calculations have recently been performed to determine the shutdown k{sub eff} for the K-14 charge. This document discusses the results and uncertainties.

A Co/MgO/SiO{sub 2} Fischer-Tropsch catalyst was operated simultaneously with a Cu/ZnO/Al{sub 2}O{sub 3} water-gas-shift catalyst in a slurry reactor for over 400 hours. The process conditions were held constant at a temperature of 240{degrees}C, a pressure of 0.79 MPa, and a 1.1 H{sub 2}/CO feed of 0.065 Nl/min-g.cat. The Fischer-Tropsch activity remained constant at the level predicted by the operation of the Co/MgO/SiO{sub 2} catalyst alone. The water-gas-shift reaction was near equilibrium. The hydrocarbon product distribution of the combined catalyst system was stable and matched that of the CO/MgO/SiO{sub 2} operating alone under similar conditions. The combined catalyst system exhibited a high selectivity to n-alkanes. Neither catalysts`s operation appeared to have a detrimental effect on that of the other, showing promise for future option.

A spectral element method embodying Large Eddy Simulation based on Re- Normalization Group theory for simulating Sub Grid Scale viscosity was chosen for this work. This method is embodied in a computer code called NEKTON. NEKTON solves the unsteady, 2D or 3D,incompressible Navier Stokes equations by a spectral element method. The code was later extended to include the variable density and multiple reactive species effects at low Mach numbers, and to compute transport of large particles governed by inertia. Transport of small particles is computed by treating them as trace species. Code computations were performed for a number of test conditions typical of flow past a deep tube bank in a boiler. Results indicate qualitatively correct behavior. Predictions of deposition rates and deposit shape evolution also show correct qualitative behavior. These simulations are the first attempts to compute flow field results at realistic flow Reynolds numbers of the order of 10{sup 4}. Code validation was not done; comparison with experiment also could not be made as many phenomenological model parameters, e.g., sticking or erosion probabilities and their dependence on experimental conditions were not known. The predictions however demonstrate the capability to predict fouling from first principles. Further work is needed: …

Ongoing work includes the characterization of coal pyrites, the floatability evaluation of typical US coal samples, the flotation behavior of coal pyrites, the electrochemical measurement of the surface properties of coal pyrites, and the characterization of species produced at pyrite surfaces.

During this past period a computer code was developed to determine the global kinetic linear stability for a 1-D Field-Reversed Configuration (FRC). This report will describe the physical assumptions used to model the plasma, the equations solved by the code, the numerical analysis for certain aspects of the code, and some preliminary results from the code.