The current trend in the steel industry is an increase in iron and steel produced in electric arc furnaces (EAF) and a gradual decline in conventional steelmaking from taconite pellets in blast furnaces. In order to expand the opportunities for the existing iron ore mines beyond their blast furnace customer base, a new material is needed to satisfy the market demands of the emerging steel industry while utilizing the existing infrastructure and materials handling capabilities. This demand creates opportunity to convert iron ore or other iron bearing materials to Nodular Reduced Iron (NRI) in a recently designed Linear Hearth Furnace (LHF). NRI is a metallized iron product containing 98.5 to 96.0% iron and 2.5 to 4% C. It is essentially a scrap substitute with little impurity that can be utilized in a variety of steelmaking processes, especially the electric arc furnace. The objective of this project was to focus on reducing the greenhouse gas emissions (GHG) through reducing the energy intensity using specialized combustion systems, increasing production and the use of biomass derived carbon sources in this process. This research examined the use of a solid fuel-oxygen fired combustion system and compared the results from this system with both oxygen-fuel …

Versatile Broensted-Evans-Polanyi (BEP) relations are found from density functional theory for a wide range of transition metal oxides including rutiles and perovskites. For oxides, the relation depends on the type of oxide, the active site and the dissociating molecule. The slope of the BEP relation is strongly coupled to the adsorbate geometry in the transition state. If it is final state-like the dissociative chemisorption energy can be considered as a descriptor for the dissociation. If it is initial state-like, on the other hand, the dissociative chemisorption energy is not suitable as descriptor for the dissociation. Dissociation of molecules with strong intramolecular bonds belong to the former and molecules with weak intramolecular bonds to the latter group. We show, for the prototype system La-perovskites, that there is a 'cyclic' behavior in the transition state characteristics upon change of the active transition metal of the oxide.

During the past decades, considerable theoretical efforts have been devoted to studying the electronic and geometric structures and related properties of surfaces. Such efforts are particularly important for systems like the actinides for which experimental work is relatively difficult to perform due to material problems and toxicity. The actinides are characterized by a gradual filling of the 5f-electron shell with the degree of localization increasing with the atomic number Z along the last series of the periodic table. The open shell of the 5f electrons determines the atomic, molecular, and solid state properties of the actinide elements and their compounds and understanding the quantum mechanics of the 5f electrons is the defining issue in the chemistry and physics of actinide elements. These elements are also characterized by the increasing prominence of relativistic effects and their studies can, in fact, help us understand the role of relativity throughout the periodic table. However, the electronic and geometric structures of the actinides, specifically the trans-uranium actinides and the roles of the 5f electrons in chemical bonding are still not well understood. This is crucial not only for our understanding of the actinides but also for the fact that the actinides constitute 'the missing …

We discuss the properties of the coherent electromagnetic fields of a very short, ultra-relativistic bunch in a rectangular vacuum chamber inside a bending magnet. The analysis is based on the results of a direct numerical solution of Maxwell's equations together with Newton's equations. We use a new dispersion-free time-domain algorithm which employs a more efficient use of finite element mesh techniques and hence produces self-consistent and stable solutions for very short bunches. We investigate the fine structure of the CSR fields including coherent edge radiation. This approach should be useful in the study of existing and future concepts of particle accelerators and ultrafast coherent light sources. The coherent synchrotron radiation (CSR) fields have a strong action on the beam dynamics of very short bunches, which are moving in the bends of all kinds of magnetic elements. They are responsible for additional energy loss and energy spread; micro bunching and beam emittance growth. These fields may bound the efficiency of damping rings, electron-positron colliders and ultrafast coherent light sources, where high peak currents and very short bunches are envisioned. This is relevant to most high-brightness beam applications. On the other hand these fields together with transition radiation fields can be used …

We describe a molecularly defined duplication kit for the X chromosome of Drosophila melanogaster. A set of 408 overlapping P[acman] BAC clones was used to create small duplications (average length 88 kb) covering the 22-Mb sequenced portion of the chromosome. The BAC clones were inserted into an attP docking site on chromosome 3L using C31 integrase, allowing direct comparison of different transgenes. The insertions complement 92% of the essential and viable mutations and deletions tested, demonstrating that almost all Drosophila genes are compact and that the current annotations of the genome are reasonably accurate. Moreover, almost all genes are tolerated at twice the normal dosage. Finally, we more precisely mapped two regions at which duplications cause diplo-lethality in males. This collection comprises the first molecularly defined duplication set to cover a whole chromosome in a multicellular organism. The work presented removes a long-standing barrier to genetic analysis of the Drosophila X chromosome, will greatly facilitate functional assays of X-linked genes in vivo, and provides a model for functional analyses of entire chromosomes in other species.

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Small-column ion exchange (SCIX) units installed in high-level waste tanks to remove Cs-137 from highly alkaline salt solutions are among the waste treatment plans in the DOE-complex. Spherical Resorcinol-Formaldehyde (sRF) is the ion exchange resin selected for use in the Hanford Waste Treatment and Immobilization Plant (WTP). It is also the primary ion exchange material under consideration for SCIX at the Hanford site. The elution step of the multi-step ion exchange process is typically done with 0.5 M nitric acid. An acid eluant is a potential hazard in the event of a spill, leak, etc. because the high-level waste tanks are made of carbon steel. Corrosion and associated structural damage may ensue. A study has been conducted to explore non-acid elution as an alternative. Batch contact sorption equilibrium screening tests have been conducted with 36 potential non-acid eluants. The sorption tests involve equilibrating each cesium-containing eluant solution with the sRF resin for 48 hours at 25 C in a shaker oven. In the sorption tests, an eluant is deemed to have a high cesium elution potential if it minimizes cesium sorption onto the sRF resin. The top candidates (based on lowest cesium sorption distribution coefficients) include ammonium carbonate, ammonium carbonate/ammonium …

Activities leading to the incident were: (1) RCRA Class 2 Permit Modification granted on July 25, 2007 to install a walk-in fume hood in room 1025; (2) USQ-695-07-148 to do the work approved on 9/17; (3) ducting removed early October done by Facility Personnel under IWS 10331.09; (4) ducting swiped for 'free release' radioactivity only by team 1 personnel on 10/16; (5) all ducting and valves remained in building 695 room 1025 except for one piece delivered to building 391 (MMED shop); (6) material delivered by facility personnel to MMED shope B391 on about 10/19; (7) MMED personnel took a duct piece to B511 shop and removed the flange which went to salvage; (8) MMED personnel took the duct piece back to B391 shop and welded on a cap; (9) RHWM personnel picked up the welded duct from B391 around 10/26 and returned ti to B695 room 1025; and (10) the analysis report receive don 12/3 indicated that beryllium swipes take on 11/16, in B695 room 1025, and on ducting that did not leave the room where personnel worked, were above the release level for beryllium.

We present a large catalog of optically selected galaxy clusters from the application of a new Gaussian Mixture Brightest Cluster Galaxy (GMBCG) algorithm to SDSS Data Release 7 data. The algorithm detects clusters by identifying the red sequence plus Brightest Cluster Galaxy (BCG) feature, which is unique for galaxy clusters and does not exist among field galaxies. Red sequence clustering in color space is detected using an Error Corrected Gaussian Mixture Model. We run GMBCG on 8240 square degrees of photometric data from SDSS DR7 to assemble the largest ever optical galaxy cluster catalog, consisting of over 55,000 rich clusters across the redshift range from 0.1 < z < 0.55. We present Monte Carlo tests of completeness and purity and perform cross-matching with X-ray clusters and with the maxBCG sample at low redshift. These tests indicate high completeness and purity across the full redshift range for clusters with 15 or more members.

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Each year, more than 25 million vehicles reach the end of their service life throughout the world, and this number is rising rapidly because the number of vehicles on the roads is rapidly increasing. In the United States, more than 95% of the 10-15 million scrapped vehicles annually enter a comprehensive recycling infrastructure that includes auto parts recyclers/dismantlers, remanufacturers, and material recyclers (shredders). Today, over 75% of automotive materials, primarily the metals, are profitably recycled via (1) parts reuse and parts and components remanufacturing and (2) ultimately by the scrap processing (shredding) industry. The process by which the scrap processors recover metal scrap from automobiles involves shredding the obsolete automobile hulks, along with other obsolete metal-containing products (such as white goods, industrial scrap, and demolition debris), and recovering the metals from the shredded material. The single largest source of recycled ferrous scrap for the iron and steel industry is obsolete automobiles. The non-metallic fraction that remains after the metals are recovered from the shredded materials - commonly called shredder residue - constitutes about 25% of the weight of the vehicle, and it is disposed of in landfills. This practice is not environmentally friendly, wastes valuable resources, and may become uneconomical. …

The solvation sphere of halides in water has been investigated using a combination of extended x-ray absorption fine structure (EXAFS) and x-ray absorption near-edge structure (XANES) analysis techniques. The results have indicated that I{sup -} and Br{sup -} both have an asymmetric, 8 water molecule primary solvation spheres. These spheres are identical, with the Br{sup -} sphere about .3 {angstrom} smaller than the I{sup -} sphere. This study utilized near-edge analysis to supplement EXAFS analysis which suffers from signal dampening/broadening due to thermal noise. This paper has reported on the solvation first sphere of I{sup -} and Br{sup -} in water. Using EXAFS and XANES analysis, strong models which describe the geometric configuration of water molecules coordinated to a central anion have been developed. The combination of these techniques has provided us with a more substantiated argument than relying solely on one or the other. An important finding of this study is that the size of the anion plays a smaller role than previously assumed in determining the number of coordinating water molecules. Further experimental and theoretical investigation is required to understand why the size of the anion plays a minor role in determining the number of water molecules bound.

The CLIC machine incorporates a 20 mrad crossing angle at the IP to aid the extraction of spent beams. In order to recover the luminosity lost through the crossing angle a crab cavity is proposed to rotate the bunches prior to collision. The crab cavity is chosen to have the same frequency as the main linac (11.9942 GHz) as a compromise between size, phase stability requirements and beam loading. It is proposed to use a HE11 mode travelling wave structure as the CLIC crab cavity in order to minimise beam loading and mode separation. The position of the crab cavity close to the final focus enhances the effect of transverse wake-fields so effective wake-field damping is required. A damped detuned structure is proposed to suppress and de-cohere the wake-field hence reducing their effect. Design considerations for the CLIC crab cavity will be discussed as well as the proposed high power testing of these structures at SLAC. Design of a crab cavity for CLIC is underway at the Cockcroft Institute in collaboration with SLAC. This effort draws on a large degree of synergy with the ILC crab cavity developed at the Cockcroft Institute and other deflecting structure development at SLAC. A …

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The CH2M HILL Plateau Remediation Company (CHPRC) manages the groundwatermonitoring programs at the Department of Energy's 586-square-mile Hanford site in southeastern Washington state. These programs are regulated by the Resource Conservation and Recovery Act (RCRA), the Comprehensive Environmental Response Compensation and Liability Act (CERCLA), and the Atomic Energy Act (AEA). The purpose of monitoring is to track existing groundwater contamination from past practices, as well as other potential contamination that might originate from RCRA treatment, storage, and disposal (TSD) facilities. An integral part of the groundwater-monitoring program involves taking samples of the groundwater and measuring the water levels in wells scattered across the site. Each year, more than 1,500 wells are accessed for a variety of reasons.

Natural accumulations of CO{sub 2} occur in the Duperow and other Devonian strata on the western flank of the Williston Basin in lithologies very similar to those into which anthropogenic CO{sub 2} is being injected as part of an EOR program in the Weyburn-Midale pool. Previous workers have established the stratgraphic and petrographic similarities between the Duperow and Midale beds (Lake and Whittaker, 2004 and 2006). As the CO{sub 2} accumulations in the Devonian strata may be as old as 50 Ma, this similarity provides confidence in the efficacy of long-term geologic sequestration of CO{sub 2} in the Midale-Weyburn pool. Here we attempt to extend this comparison with whole rock and mineral chemistry using the same sample suite used by Lake and Whittaker. We provide XRD, XRF, and electron microprobe analysis of major constituent minerals along with extensive backscattered electron and x-ray imaging to identify trace phases and silicate minerals. LPNORM analysis is used to quantify modal concentrations of minerals species. Samples from depth intervals where CO{sub 2} has been observed are compared to those where CO{sub 2} was absent, with no systematic differences in mineral composition observed. Gas accumulation can be correlated with sample porosity. In particular gas-bearing samples …

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The accuracy in the photometry of a point source depends on the point-spread function (PSF), detector pixelization, and observing strategy. The PSF and pixel response describe the spatial blurring of the source, the pixel scale describes the spatial sampling of a single exposure, and the observing strategy determines the set of dithered exposures with pointing offsets from which the source flux is inferred. In a wide-field imaging survey, sources of interest are randomly distributed within the field of view and hence are centered randomly within a pixel. A given hardware configuration and observing strategy therefore have a distribution of photometric uncertainty for sources of fixed flux that fall in the field. In this article we explore the ensemble behavior of photometric and position accuracies for different PSFs, pixel scales, and dithering patterns. We find that the average uncertainty in the flux determination depends slightly on dither strategy, whereas the position determination can be strongly dependent on the dithering. For cases with pixels much larger than the PSF, the uncertainty distributions can be non-Gaussian, with rms values that are particularly sensitive to the dither strategy. We also find that for these configurations with large pixels, pointings dithered by a fractional pixel …

The prediction of backgrounds to new physics signals in topologies with large missing transverse energy and jets is important to new physics searches at the LHC. Following a CMS study, we investigate theoretical issues in using measurements of {gamma} + 2-jet production to predict the irreducible background to searches for missing energy plus two jets that originates from Z + 2-jet production where the Z boson decays to neutrinos. We compute ratios of {gamma} + 2-jet to Z + 2-jet production cross sections and kinematic distributions at next-to-leading order in {alpha}{sub s}, as well as using a parton shower matched to leading-order matrix elements. We find that the ratios obtained in the two approximations are quite similar, making {gamma} + 2-jet production a theoretically reliable estimator for the missing energy plus two jets background. We employ a Frixione-style photon isolation, but we also show that for isolated prompt photon production at high transverse momentum the difference between this criterion and the standard cone isolation used by CMS is small.

Reductions are commonly used in parallel programs to produce a global result from partial results computed in parallel. Currently, OpenMP only supports reductions for primitive data types and a limited set of base language operators. This is a significant limitation for those applications that employ user-defined data types (e. g., objects). Implementing manual reduction algorithms makes software development more complex and error-prone. Additionally, an OpenMP runtime system cannot optimize a manual reduction algorithm in ways typically applied to reductions on primitive types. In this paper, we propose new mechanisms to allow the use of most pre-existing binary functions on user-defined data types as User-Defined Reduction (UDR) operators. Our measurements show that our UDR prototype implementation provides consistently good performance across a range of thread counts without increasing general runtime overheads.

The Savannah River National Laboratory (SRNL) has developed prototype equipment to demonstrate remote surveying of Inner and Outer DOE Standard 3013 containers for fixed and transferable contamination in accordance with DOE Standard 3013 and 10 CFR 835 Appendix B. When fully developed the equipment will be part of a larger suite of equipment used to package material in accordance with DOE Standard 3013 at the Pit Disassembly and Conversion Project slated for installation at the Savannah River Site. The prototype system consists of a small six-axis industrial robot with an end effector consisting of a force sensor, vacuum gripper and a three fingered pneumatic gripper. The work cell also contains two alpha survey instruments, swipes, swipe dispenser, and other ancillary equipment. An external controller interfaces with the robot controller, survey instruments and other ancillary equipment to control the overall process. SRNL is developing automated equipment for the Pit Disassembly and Conversion (PDC) Project that is slated for the Savannah River Site (SRS). The equipment being developed is automated packaging equipment for packaging plutonium bearing materials in accordance with DOE-STD-3013-2004. The subject of this paper is the development of a prototype Radiological Survey Station (RSS). Other automated equipment being developed for …

HERMES (High Explosive Response to MEchanical Stimulus) was developed to fill the need for a model to describe an explosive response of the type described as BVR (Burn to Violent Response) or HEVR (High Explosive Violent Response). Characteristically this response leaves a substantial amount of explosive unconsumed, the time to reaction is long, and the peak pressure developed is low. In contrast, detonations characteristically consume all explosive present, the time to reaction is short, and peak pressures are high. However, most of the previous models to describe explosive response were models for detonation. The earliest models to describe the response of explosives to mechanical stimulus in computer simulations were applied to intentional detonation (performance) of nearly ideal explosives. In this case, an ideal explosive is one with a vanishingly small reaction zone. A detonation is supersonic with respect to the undetonated explosive (reactant). The reactant cannot respond to the pressure of the detonation before the detonation front arrives, so the precise compressibility of the reactant does not matter. Further, the mesh sizes that were practical for the computer resources then available were large with respect to the reaction zone. As a result, methods then used to model detonations, known as …

A TRACE/PARCS input model has been developed in order to be able to analyze anticipated transients without scram (ATWS) in a boiling water reactor. The model is based on one developed previously for the Browns Ferry reactor for doing loss-of-coolant accident analysis. This model was updated by adding the control systems needed for ATWS and a core model using PARCS. The control systems were based on models previously developed for the TRAC-B code. The PARCS model is based on information (e.g., exposure and moderator density (void) history distributions) obtained from General Electric Hitachi and cross sections for GE14 fuel obtained from an independent source. The model is able to calculate an ATWS, initiated by the closure of main steam isolation valves, with recirculation pump trip, water level control, injection of borated water from the standby liquid control system and actuation of the automatic depres-surization system. The model is not considered complete and recommendations are made on how it should be improved.

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