A fundamental part of geophysics is to make inferences about the interior of the earth on the basis of data collected at or near the surface of the earth. In almost all cases these measured data are only indirectly related to the properties of the earth that are of interest, so an inverse problem must be solved in order to obtain estimates of the physical properties within the earth. In February of 1999 the U.S. Department of Energy sponsored a workshop that was intended to examine the methods currently being used to solve geophysical inverse problems and to consider what new approaches should be explored in the future. The interdisciplinary area between inverse problems in geophysics and optimization methods in mathematics was specifically targeted as one where an interchange of ideas was likely to be fruitful. Thus about half of the participants were actively involved in solving geophysical inverse problems and about half were actively involved in research on general optimization methods. This report presents some of the topics that were explored at the workshop and the conclusions that were reached. In general, the objective of a geophysical inverse problem is to find an earth model, described by a set …

This article is about the Chopping effect observed at cathodic arc initiation. It is argued that current chopping at the rising edge is similar to the current chopping effect that is well-known for the arc current approaching current-zero.

We present a method for accelerating time dependent Monte Carlo radiative transfer calculations by using a discretization of the diffusion equation to calculate probabilities that are used to advance particles in regions with small mean free path. The method is demonstrated on problems with on 1 and 2 dimensional orthogonal grids. It results in decreases in run time of more than an order of magnitude on these problems, while producing answers with accuracy comparable to pure IMC simulations. We call the method Implicit Monte Carlo Diffusion, which we abbreviate IMD.

Performance assessment and design evaluation require a modeling tool that simultaneously accounts for processes occurring at a scale of a few tens of centimeters around individual waste packages and emplacement drifts, and also on behavior at the scale of the mountain. Many processes and features must be considered, including non-isothermal, multiphase-flow in rock of variable saturation and thermal radiation in open cavities. Also, given the nature of the fractured rock at Yucca Mountain, a dual-permeability approach is needed to represent permeability. A monolithic numerical model with all these features requires too large a computational cost to be an effective simulation tool, one that is used to examine sensitivity to key model assumptions and parameters. We have developed a multi-scale modeling approach that effectively simulates 3D discrete-heat-source, mountain-scale thermohydrologic behavior at Yucca Mountain and captures the natural variability of the site consistent with what we know from site characterization and waste-package-to-waste-package variability in heat output. We describe this approach and present results examining the role of infiltration flux, the most important natural-system parameter with respect to how thermohydrologic behavior influences the performance of the repository.

In biomineralized tissue, Nature often uses a single crystal system to form tools with widely varied form and functionality. To accomplish this, organisms have developed methods to deterministically modify and control crystal habit, commonly creating shapes with lower symmetry than is possessed by the pure crystal. In this paper we use atomic force microscopy to investigate the effect of chiral amino acids on calcite growth. We show that the atomic steps and resultant macroscopic shape exhibit a lower symmetry that reflects the chirality of the amino acid. We use this result to constrain the possible stereospecific binding sites. We argue that the change in morphology is not due to the incorporation of the amino acid, but rather that it acts like a surfactant changing the energetics of the interface. These results suggest that the conventional paradigm for understanding the geometrical and chemical aspects of biomineralization in terms of stereochemical recognition should be expanded to capture the energetic controls that determine the mechanisms of mineral modification by biomolecules.

A comprehensive investigation of natural and manmade silicate glasses, and nuclear melt glass was undertaken in order to derive an estimate of glass reactive surface area. Reactive surface area is needed to model release rates of radionuclides from nuclear melt glass in the subsurface. Because of the limited availability of nuclear melt glasses, natural volcanic glass samples were collected which had similar textures and compositions as those of melt glass. A flow-through reactor was used to measure the reactive surface area of the analog glasses in the presence of simplified NTS site ground waters. A measure of the physical surface area of these glasses was obtained using the BET gas-adsorption method. The studies on analog glasses were supplemented by measurement of the surface areas of pieces of actual melt glass using the BET method. The variability of the results reflect the sample preparation and measurement techniques used, as well as textural heterogeneity inherent to these samples. Based on measurements of analog and actual samples, it is recommended that the hydraulic source term calculations employ a range of 0.001 to 0.01 m{sup 2}/g for the reactive surface area of nuclear melt glass.

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Fluidized-bed calcination at the Idaho Nuclear Technologies and Engineering Center (INTEC, formally called the Idaho Chemical Processing Plant) has been used to solidify acidic metal nitrate fuel reprocessing and incidental wastes wastes since 1961. A summary of waste calcination in full-scale and pilot plant calciners has been compiled for future reference. It contains feed compositions and operating conditions for all the processing campaigns for the original Waste Calcining Facility (WCF), the New Waste Calcining Facility (NWCF) started up in 1982, and numerous small scale pilot plant tests for various feed types. This summary provides a historical record of calcination at INTEC, and will be useful for evaluating calcinability of future wastes.

The unreliability of photosensor-based lighting controlscontinues to be a significant market barrier that prevents widespreadacceptance of daylight dimming controls in commercial buildings. Energysavings from the use of daylighting in commercial buildings is bestrealized through the installation of reliable photoelectric lightingcontrols that dim electric lights when sufficient daylight is availableto provide adequate background and/or task illumination. In prior work,the authors discussed the limitations of current simulation approachesand presented a robust method to simulate the performance ofphotosensor-based controls using an enhanced version of the Radiancelighting simulation package. The method is based on the concept ofmultiplying two fisheye images: one generated from the angularsensitivity of the photosensor and the other from a 180- or 360-degreefisheye image of the space as "seen" by the photosensor. This paperincludes a description of the method, its validation and possibleapplications for designing, placing, calibrating and commissioningphotosensor-based lighting controls.

The TMAP Code was written in the late 1980s as a tool for safety analysis of systems involving tritium. Since then it was upgraded to TMAP4 and used in numerous applications including experiments supporting fusion safety predictions for advanced systems such as the International Thermonuclear Experimental Reactor (ITER), and estimates involving tritium production technologies. Its further upgrade to TMAP2000 was accomplished in response to several needs. TMAP and TMAP4 had the capacity to deal with only a single trap for diffusing gaseous species in solid structures. TMAP2000 has been revised to include up to three separate traps and to keep track separately of each of up to 10 diffusing species in each of the traps. A difficulty in the original code dealing with heteronuclear molecule formation such as HD and DT has been removed. Under equilibrium boundary conditions such as Sieverts' law, TMAP2000 generates heteronuclear molecular partial pressures when solubilities and partial pressures of the homonuclear molecular species and the equilibrium stoichiometry are provided. A further sophistication is the addition of non-diffusing surface species and surface binding energy dynamics options. Atoms such as oxygen or nitrogen on metal surfaces are sometimes important in molecule formation with diffusing hydrogen isotopes but …

Tantalum alloys are one of the refractory metals with renewed consideration for high temperatures in fusion reactor applications. Tantalum alloys perform well in protective environments but are oxidized readily in gases containing higher oxygen levels. In addition, the radioactive isotope Ta-182 would be produced in tantalum and could be a significant contributor to dose if mobilized. Other isotopes of importance are produced from tungsten and hafnium. Mobilization of activated products during an accident with air ingress is therefore a safety issue. In this study, we measured the extent of oxidation and mobilization from tantalum alloy T-222 oxidized in flowing air between 500 and 1200 degrees C. This alloy nominally contains 10 wt% tungsten, 2.5 wt% hafnium and 0.01 wt% carbon. We found that the mobilization of Ta and Hf was closely linked to the occurrence of oxide spalling. These elements showed no migration from the test chamber. Some W was mobilized by volatilization as evidenced by transport from the chamber. Tungsten volatilization could occur primarily during initial stages of oxidation before the formation of an oxide scale impedes the process. The mobilization of Ta and W are presented in terms of the mass flux (g/m2-h) as a function of test …

Environmental and health issues coupled with increasingly stringent nitrogen oxide (NOx) emission standards indicates a need for the development of alternative low-cost technologies for the removal of NOx from gas streams. Biological NOx conversion offers promise as a novel treatment method. Thermophilic denitrifying bacteria indigenous to composts and soils are capable of converting NOx to environmentally benign nitrogen via a dissimilatory reductive pathway. The present study compares the performance of three bioreactor packing materials (compost, perlite, and biofoam) for the removal of nitric oxide (NO) from a simulated wet-scrubbed combustion gas. Although all three materials performed well (>85% NO removal) at residence times of 70-80 seconds, the compost performed better than the other materials at shorter residence times (13-44 seconds). The perlite and biofoam materials, however, both offer long-term thermal stability and lower pressure drop compared with compost. The feasibility of biological NOx conversion processes will depend on the combined factors of NOx removal ability and pressure drop. The results presented here suggest that the compost, perlite and biofoam systems, subject to further optimization, offer potential for the biological removal of NOx from gas streams.

The quarterly activities of the Advanced Gas Turbine Systems Research (AGTSR) program are described in this quarterly report. As this program administers research, we have included all program activity herein within the past quarter as dated. More specific research progress reports are provided weekly at the request of the AGTSR COR and are being sent to NETL As for the administration of this program, items worthy of note are presented in extended bullet format following the appropriate heading.

The U.S. Department of Energy's nuclear complex, a nation-wide system of facilities for research and production of nuclear materials and weapons, contains large amounts of radioactively contaminated concrete[1]. This material must be disposed of prior to the decommissioning of the various sites. Often the radioactive contaminants in concrete occupy only the surface and near-surface ({approx}3-6 mm deep) regions of the material. Since many of the structures such as walls and floors are 30 cm or more thick, it makes environmental and economic sense to try to remove and store only the thin contaminated layer rather than to treat the entire structure as waste. Current mechanical removal methods, known as scabbling, are slow and labor intensive, suffer from dust control problems, and expose workers to radiation fields. Improved removal methods are thus in demand[2-5]. Prior to decontamination, the surface must be characterized to determine the types and amounts of contaminants present i n order to decide on an appropriate cleaning strategy. Contamination occurs via exposure to air and water-borne radionuclides and by neutron activation. The radionuclides of greatest concern are (in order of abundance) [1]: 137Cs & 134Cs, 238U, 60Co, and 90Sr, followed by 3H, radioactive iodine, and a variety of …

The objective of the research described in this report was to provide data and insights that will enable the natural gas industry to (1) significantly improve the assessment of subsurface glycol-related contamination at sites where it is known or suspected to have occurred and (2) make scientifically valid decisions concerning the management and/or remediation of that contamination. The described research was focused on subsurface transport and fate issues related to triethylene glycol (TEG), diethylene glycol (DEG), and ethylene glycol (EG). TEG and DEG were selected for examination because they are used in a vast majority of gas dehydration units, and EG was chosen because it is currently under regulatory scrutiny as a drinking water pollutant. Because benzene, toluene, ethylbenzene, and xylenes (collectively referred to as BTEX) compounds are often very closely associated with glycols used in dehydration processes, the research necessarily included assessing cocontaminant effects on waste mobility and biodegradation. BTEX hydrocarbons are relatively water-soluble and, because of their toxicity, are of regulatory concern. Although numerous studies have investigated the fate of BTEX, and significant evidence exists to indicate the potential biodegradability of BTEX in both aerobic and anaerobic environments (Kazumi and others, 1997; Krumholz and others, 1996; Lovely and …

This work presents modeling studies investigating the effects of capillary barriers on fluid-flow and tracer-transport processes in the unsaturated zone of Yucca Mountain, Nevada, a potential site for storing high-level radioactive waste. These studies are designed to identify factors controlling the formation of capillary barriers and to estimate their effects on the extent of possible large-scale lateral flow in unsaturated fracture rocks. The modeling approach is based on a continuum formulation of coupled multiphase fluid and tracer transport through fractured porous rock. Flow processes in fractured porous rock are described using a dual-continuum concept. In addition, approximate analytical solutions are developed and used for assessing capillary-barrier effects in fractured rocks. This study indicates that under the current hydrogeologic conceptualization of Yucca Mountain, strong capillary-barrier effects exist for significantly diverting moisture flow.

Authenticating and upgrading system software plays a critical role in information security, yet practical tools for assessing and installing software are lacking in today's marketplace. The SafePatch tool provides the mechanism of performing automated analysis, notification, distribution, and installation of security patches and related software to network-based computer systems in a vendor-independent fashion. SafePatch assists in the authentication of software by comparing the system's objects with the patch's objects. SafePatch will monitor vendor's sites to determine when new patches are released and will upgrade system software on target systems automatically. This paper describes the design of SafePatch, motivations behind the project and the advantages of SafePatch over existing tools.

This research was undertaken to meet the need for a robust portfolio of carbon management options to ensure continued use of coal in electrical power generation. In response to this need, the Ohio Coal Research Center at Ohio University developed a novel technique to control the emissions of CO{sub 2} from fossil-fired power plants by growing organisms capable of converting CO{sub 2} to complex sugars through the process of photosynthesis. Once harvested, the organisms could be used in the production of fertilizer, as a biomass fuel, or fermented to produce alcohols. In this work, a mesophilic organism, Nostoc 86-3, was examined with respect to the use of thermophilic algae to recycle CO{sub 2} from scrubbed stack gases. The organisms were grown on stationary surfaces to facilitate algal stability and promote light distribution. The testing done throughout the year examined properties of CO{sub 2} concentration, temperature, light intensity, and light duration on process viability and the growth of the Nostoc. The results indicate that the Nostoc species is suitable only in a temperature range below 125 F, which may be practical given flue gas cooling. Further, results indicate that high lighting levels are not suitable for this organism, as bleaching occurs …

A molecular genetic characterization of the maize R-r complex of maize was completed during the period of support. The complex was shown to consist of two main regions: the P region, containing the r-p gene which controlled pigmentation of plant parts, and the S subcomplex, containing two rl-s genes in head-to-head orientation and a nonfunctional component termed rl-q. By examining the DNA sequences at the junction of the rl genes, the complex was shown to be derived by a series of abortive transposition events. The transposable element involved in the gene duplication and rearrangements was characterized and called doppia. Meiotic instability of the R-r complex was also characterized. Loss of P or S function was associated with several structural changes including intrachromosomal recombination and excision of a novel transposable element that appears to show instability only during meiosis.

Solid oxide fuel cells (SOFCs) are the future of energy production in America. They offer great promise as a clean and efficient process for directly converting chemical energy to electricity while providing significant environmental benefits (they produce negligible CO, HC, or NOx and, as a result of their high efficiency, produce about one-third less CO{sub 2} per kilowatt hour than internal combustion engines). Unfortunately, the current SOFC technology, based on a stabilized zirconia electrolyte, must operate in the region of 1000 C to avoid unacceptably high ohmic losses. These high temperatures demand (a) specialized (expensive) materials for the fuel cell interconnects and insulation, (b) time to heat up to the operating temperature and (c) energy input to arrive at the operating temperature. Therefore, if fuel cells could be designed to give a reasonable power output at lower temperatures tremendous benefits may be accrued, not the least of which is reduced cost. The problem is, at lower temperatures the conductivity of the conventional stabilized zirconia electrolyte decreases to the point where it cannot supply electrical current efficiently to an external load. The primary objectives of the proposed research is to develop a stable high conductivity (>0.05 S cm{sup -1} at 550 …

The information needs of managers with respect to avian species at the SRS are identified. The process by which information is integrated into decision making are discussed. Numerous studies of upland bird species at SRS were conducted as part of the DOE Biodiversity Program. This information is being incorporated into biological assessments and plan through modeling and geographic information systems.

Edge conditions in DIII-D are being quantified in order to provide insight into the physics of the H-mode regime. Electron temperature is not the key parameter that controls the L-H transition. Gradients of edge temperature and pressure are much more promising candidates for such parameters. The quality of H-mode confinement is strongly correlated with the height of the H-mode pedestal for the pressure. The gradient of the pressure appears to be controlled by MHD modes, in particular by kink-ballooning modes with finite mode number n. For a wide variety of discharges, the width of the barrier is well described with a relationship that is proportional to ({beta}{sub p}{sup ped}){sup 1/2}. An attractive regime of confinement has been discovered which provides steady-state operation with no ELMs, low impurity content and normal H-mode confinement. A coherent edge MHD-mode evidently provides adequate particle transport to control the plasma density and impurity content while permitting the pressure pedestal to remain almost identical to that observed in ELMing discharges.