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The goals of this project are to develop new, scalable, high-fidelity algorithms for atomic-level simulations and program transformations that automatically restructure existing applications, enabling them to scale forward to Petascale systems and beyond. The techniques enable legacy MPI application code to exploit greater parallelism though increased latency hiding and improved workload assignment. The techniques were successfully demonstrated on high-end scalable systems located at DOE laboratories. Besides the automatic MPI program transformations efforts, the project also developed several new scalable algorithms for ab-initio molecular dynamics, including new massively parallel algorithms for hybrid DFT and new parallel in time algorithms for molecular dynamics and ab-initio molecular dynamics. These algorithms were shown to scale to very large number of cores, and they were designed to work in the latency hiding framework developed in this project. The effectiveness of the developments was enhanced by the direct application to real grand challenge simulation problems covering a wide range of technologically important applications, time scales and accuracies. These included the simulation of the electronic structure of mineral/fluid interfaces, the very accurate simulation of chemical reactions in microsolvated environments, and the simulation of chemical behavior in very large enzyme reactions.

Correspondence issued by the Government Accountability Office with an abstract that begins "CDC has administered and provided oversight of the CPPW program, which includes the monitoring of award recipients. CDC required recipients to use their CPPW funds to support efforts to improve nutrition, increase physical activity, or reduce tobacco use and exposure to secondhand smoke. In addition, CDC suggested possible strategies for achieving these results, such as working to establish smoke-free zones or to implement zoning changes that promote physical activity. CDC policy prohibited CPPW award recipients from using funds for specific types of activities, including lobbying, which generally meant certain activities designed to influence action in regard to a particular piece of pending legislation."

For many decades, various radiation detecting material have been extensively researched, to find a better material or mechanism for radiation sensing. Recently, there is a growing need for a smaller and effective material or device that can perform similar functions of bulkier Geiger counters and other measurement options, which fail the requirement for easy, cheap and accurate radiation dose measurement. Here arises the use of thin film chalcogenide glass, which has unique properties of high thermal stability along with high sensitivity towards short wavelength radiation. The unique properties of chalcogenide glasses are attributed to the lone pair p-shell electrons, which provide some distinctive optical properties when compared to crystalline material. These qualities are derived from the energy band diagram and the presence of localized states in the band gap. Chalcogenide glasses have band tail states and localized states, along with the two band states. These extra states are primarily due to the lone pair electrons as well as the amorphous structure of the glasses. The localized states between the conductance band (CB) and valence band (VB) are primarily due to the presence of the lone pair electrons, while the band tail states are attributed to the Van der Waal’s forces …

Theory, computations, and experimental apparatus are presented that describe and are intended to confirm novel properties of a coaxial two-channel dielectric wake field accelerator. In this configuration, an annular drive beam in the outer coaxial channel excites multimode wakefields which, in the inner channel, can accelerate a test beam to an energy much higher than the energy of the drive beam. This high transformer ratio is the result of judicious choice of the dielectric structure parameters, and of the phase separation between drive bunches and test bunches. A structure with cm-scale wakefields has been build for tests at the Argonne Wakefield Accelerator Laboratory, and a structure with mm-scale wakefields has been built for tests at the SLAC FACET facility. Both tests await scheduling by the respective facilities.

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This Corrective Action Plan has been prepared for Corrective Action Unit (CAU) 366, Area 11 Plutonium Valley Dispersion Sites, in accordance with the Federal Facility Agreement and Consent Order (FFACO, 1996 as amended). CAU 366 consists of the following six Corrective Action Sites (CASs) located in Area 11 of the Nevada National Security Site: · CAS 11-08-01, Contaminated Waste Dump #1 · CAS 11-08-02, Contaminated Waste Dump #2 · CAS 11-23-01, Radioactively Contaminated Area A · CAS 11-23-02, Radioactively Contaminated Area B · CAS 11-23-03, Radioactively Contaminated Area C · CAS 11-23-04, Radioactively Contaminated Area D Site characterization activities were performed in 2011 and 2012, and the results are presented in Appendix A of the Corrective Action Decision Document (CADD) for CAU 366 (U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office [NNSA/NSO], 2012a). The following closure alternatives were recommended in the CADD: · No further action for CAS 11-23-01 · Closure in place for CASs 11-08-01, 11-08-02, 11-23-02, 11-23-03, and 11-23-04 The scope of work required to implement the recommended closure alternatives includes the following: · Non-engineered soil covers approximately 3 feet thick will be constructed at CAS 11-08-01 over contaminated waste dump (CWD) #1 and at …

The overall project objective is to develop and demonstrate a polymer electrolyte membrane fuel cell combined heat and power (PEMFC CHP) system that provides the foundation for commercial, mass produced units which achieve over 40% electrical efficiency (fuel to electric conversion) from 50-100% load, greater than 70% overall efficiency (fuel to electric energy + usable waste heat energy conversion), have the potential to achieve 40,000 hours durability on all major process components, and can be produced in high volumes at under $400/kW (revised to $750/kW per 2011 DOE estimates) capital cost.

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The Department of Energy – Savannah River (DOE-SR) has provided direction to Savannah River Remediation (SRR) to maintain fissile concentration in glass below 897 g/m{sup 3}. In support of that guidance, the Savannah River National Laboratory (SRNL) provided a technical basis and a supporting Microsoft® Excel® spreadsheet for the evaluation of fissile loading in Sludge Batch 5 (SB5), Sludge Batch 6 (SB6), Sludge Batch 7a (SB7a), and Sludge Batch 7b (SB7b) glass based on the iron (Fe) concentration in glass as determined by the measurements from the Slurry Mix Evaporator (SME) acceptability analysis. SRR has since requested that the necessary density information be provided to allow SRR to update the Excel® spreadsheet so that it may be used to maintain fissile concentration in glass below 897 g/m{sup 3} during the processing of Sludge Batch 8 (SB8). One of the primary inputs into the fissile loading spreadsheet includes an upper bound for the density of SB8-based glasses. Thus, these bounding density values are to be used to assess the fissile concentration in this glass system. It should be noted that no changes are needed to the underlying structure of the Excel-based spreadsheet to support fissile assessments for SB8. However, SRR should …

The research carried out on this project developed experimentally validated Diesel Oxidation Catalyst (DOC), Diesel Particulate Filter (DPF), and Selective Catalytic Reduction (SCR) high‐fidelity models that served as the basis for the reduced order models used for internal state estimation. The high‐fidelity and reduced order/estimator codes were evaluated by the industrial partners with feedback to MTU that improved the codes. Ammonia, particulate matter (PM) mass retained, PM concentration, and NOX sensors were evaluated and used in conjunction with the estimator codes. The data collected from PM experiments were used to develop the PM kinetics using the high‐fidelity DPF code for both NO2 assisted oxidation and thermal oxidation for Ultra Low Sulfur Fuel (ULSF), and B10 and B20 biodiesel fuels. Nine SAE papers were presented and this technology transfer process should provide the basis for industry to improve the OBD and control of urea injection and fuel injection for active regeneration of the PM in the DPF using the computational techniques developed. This knowledge will provide industry the ability to reduce the emissions and fuel consumption from vehicles in the field. Four MS and three PhD Mechanical Engineering students were supported on this project and their thesis research provided them with …

Final Scientific/Technical Report for Project entitled "Mechanism of Uranium Reduction by Shewanella oneidensis"

A letter report issued by the Government Accountability Office with an abstract that begins ""

The purpose of this project was to develop a compact, modular multi-channel x-ray detector with integrated electronics. This detector, based upon emerging silicon drift detector (SDD) technology, will be capable of high data rate operation superior to the current state of the art offered by high purity germanium (HPGe) detectors, without the need for liquid nitrogen. In addition, by integrating the processing electronics inside the detector housing, the detector performance will be much less affected by the typically noisy electrical environment of a synchrotron hutch, and will also be much more compact than current systems, which can include a detector involving a large LN2 dewar and multiple racks of electronics. The combined detector/processor system is designed to match or exceed the performance and features of currently available detector systems, at a lower cost and with more ease of use due to the small size of the detector. In addition, the detector system is designed to be modular, so a small system might just have one detector module, while a larger system can have many – you can start with one detector module, and add more as needs grow and budget allows. The modular nature also serves to simplify repair. In …

Proceedings of the House of Representatives of Texas for the sixty-firth day of the Regular session of the 83rd Legislature documenting legislation, reports, discussions, votes, and points-of-order.

Proceedings of the Senate of Texas for the forty-ninth day of the Regular session of the 83rd Legislature documenting legislation, reports, discussions, votes, and points-of-order.

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Microbial Tc(VII) reduction is an attractive alternative strategy for bioremediation of technetium-contaminated subsurface environments. Traditional ex situ remediation processes (e.g., adsorption or ion exchange) are often limited by poor extraction efficiency, inhibition by competing ions and production of large volumes of produced waste. Microbial Tc(VII) reduction provides an attractive alternative in situ remediation strategy since the reduced end-product Tc(IV) precipitates as TcO2, a highly insoluble hydrous oxide. Despite its potential benefits, the molecular mechanism of microbial Tc(VII) reduction remains poorly understood. The main goal of the proposed DOENABIR research project is to determine the molecular mechanism of microbial Tc(VII) reduction. Random mutagenesis studies in our lab have resulted in generation of a set of six Tc(VII) reduction-deficient mutants of Shewanella oneidensis. The anaerobic respiratory deficiencies of each Tc(VII) reduction-deficient mutant was determined by anaerobic growth on various combinations of three electron donors and 14 terminal electron acceptors. Results indicated that the electron transport pathways to Tc(VII), NO3 -, Mn(III) and U(VI) share common structural or regulatory components. In addition, we have recently found that wild-type Shewanella are also able to reduce Tc(IV) as electron acceptor, producing Tc(III) as an end-product. The recent genome sequencing of a variety of technetium-reducing bacteria …

Radioactive gaseous fission products are released out of the fuel element at a significantly higher rate when the fuel temperature exceeds 1600°C in high-temperature gas-cooled reactors (HTGRs). Therefore, it is of paramount importance to accurately predict the peak fuel temperature during all operational and design-basis accident conditions. The current methods used to predict the peak fuel temperature in HTGRs, such as the Next-Generation Nuclear Plant (NGNP), estimate the average fuel temperature in a computational mesh modeling hundreds of fuel pebbles or a fuel assembly in a pebble-bed reactor (PBR) or prismatic block type reactor (PMR), respectively. Experiments conducted in operating HTGRs indicate considerable uncertainty in the current methods and correlations used to predict actual temperatures. The objective of this project is to improve the accuracy in the prediction of local "hot" spots by developing multi-scale, multi- physics methods and implementing them within the framework of established codes used for NGNP analysis. The multi-scale approach which this project will implement begins with defining suitable scales for a physical and mathematical model and then deriving and applying the appropriate boundary conditions between scales. The macro scale is the greatest length that describes the entire reactor, whereas the meso scale models only a …

A letter report issued by the Government Accountability Office with an abstract that begins "According to the Department of Health and Human Services (HHS), about 60 percent of the chemical, biological, radiological, and nuclear (CBRN) medical countermeasures in the Strategic National Stockpile (SNS) have been approved for children, but in many instances approval is limited to specific age groups. In addition, about 40 percent of the CBRN countermeasures have not been approved for any pediatric use. Furthermore, some of the countermeasures have not been approved to treat individuals for the specific indications for which they have been stockpiled. For example, ciprofloxacin is stockpiled in the SNS for the treatment of anthrax, plague, and tularemia, but is not approved for these indications. Countermeasures may be used to treat unapproved age groups or indications under an emergency use authorization (EUA) or an Investigational New Drug (IND) application submitted to the Food and Drug Administration (FDA)."

Title 10 Code of Federal Regulations (CFR) Part 835, “Occupational Radiation Protection,” establishes radiation protection standards, limits, and program requirements for protecting individuals from ionizing radiation resulting from the conduct of U.S. Department of Energy (DOE) activities. 10 CFR 835.101(a) mandates that DOE activities be conducted in compliance with a documented Radiation Protection Program (RPP) as approved by DOE. This document promulgates the RPP for the Nevada National Security Site (NNSS), related (on-site or off-site) U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office (NNSA/NFO) operations, and environmental restoration off-site projects. This RPP section consists of general statements that are applicable to the NNSS as a whole. The RPP also includes a series of appendices which provide supporting detail for the associated NNSS Tennant Organizations (TOs). Appendix H, “Compliance Demonstration Table,” contains a cross-walk for the implementation of 10 CFR 835 requirements. This RPP does not contain any exemptions from the established 10 CFR 835 requirements. The RSPC and TOs are fully compliant with 10 CFR 835 and no additional funding is required in order to meet RPP commitments. No new programs or activities are needed to meet 10 CFR 835 requirements and there are no anticipated impacts …

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A letter report issued by the Government Accountability Office with an abstract that begins "The Center for Consumer Information and Insurance Oversight (CCIIO) discontinued enrollment in the Early Retiree Reinsurance Program (ERRP) in early 2011 and stopped most program reimbursements the following year to keep spending within the $5 billion ERRP appropriation. Specifically, anticipating exhaustion of funds, CCIIO stopped ERRP enrollment in May 2011. According to CCIIO officials, CCIIO suspended making reimbursements to plan sponsors in September 2012, as reimbursements had reached the $4.7 billion cap established for paying claims under the original appropriation, and the remainder was reserved for administrative expenses. When the cap was reached, significant demand for the program remained with 5,699 ERRP reimbursement requests left outstanding that accounted for about $2.5 billion in unpaid claims. CCIIO officials told GAO that they planned to pay some of the outstanding reimbursement requests by redistributing any overpayments recovered from plan sponsors--when, for example a plan receives a rebate that lowers the total cost of a prior claim--as well as money recovered from program audits. As of January 2013, officials told GAO that CCIIO had recovered a total of $54 million and redistributed $20.7 million of this amount."

he Blue Ribbon Commission on America’s Nuclear Future identified removal of stranded used nuclear fuel at shutdown sites as a priority so that these sites may be completely decommissioned and put to other beneficial uses. In this report, a preliminary evaluation of removing used nuclear fuel from nine shutdown sites was conducted. The shutdown sites included Maine Yankee, Yankee Rowe, Connecticut Yankee, Humboldt Bay, Big Rock Point, Rancho Seco, Trojan, La Crosse, and Zion. At these sites a total of 7649 used nuclear fuel assemblies and a total of 2813.2 metric tons heavy metal (MTHM) of used nuclear fuel are contained in 248 storage canisters. In addition, 11 canisters containing greater-than-Class C (GTCC) low-level radioactive waste are stored at these sites. The evaluation was divided in four components: • characterization of the used nuclear fuel and GTCC low-level radioactive waste inventory at the shutdown sites • an evaluation of the onsite transportation conditions at the shutdown sites • an evaluation of the near-site transportation infrastructure and experience relevant to the shipping of transportation casks containing used nuclear fuel from the shutdown sites • an evaluation of the actions necessary to prepare for and remove used nuclear fuel and GTCC low-level …