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The lithium silicates have attracted scientific interest due to their potential use as high-temperature sorbents for CO{sub 2} capture. The electronic properties and thermodynamic stabilities of lithium silicates with different Li{sub 2}O/SiO{sub 2} ratios (Li{sub 2}O, Li{sub 8}SiO{sub 6}, Li{sub 4}SiO{sub 4}, Li{sub 6}Si{sub 2}O{sub 7}, Li{sub 2}SiO{sub 3}, Li{sub 2}Si{sub 2}O{sub 5}, Li{sub 2}Si{sub 3}O{sub 7}, and a-SiO{sub 2}) have been investigated by combining first-principles density functional theory with lattice phonon dynamics. All these lithium silicates examined are insulators with band-gaps larger than 4.5 eV. By decreasing the Li{sub 2}O/SiO{sub 2} ratio, the first valence bandwidth of the corresponding lithium silicate increases. Additionally, by decreasing the Li{sub 2}O/SiO{sub 2} ratio, the vibrational frequencies of the corresponding lithium silicates shift to higher frequencies. Based on the calculated energetic information, their CO{sub 2} absorption capabilities were extensively analyzed through thermodynamic investigations on these absorption reactions. We found that by increasing the Li{sub 2}O/SiO{sub 2} ratio when going from Li{sub 2}Si{sub 3}O{sub 7} to Li{sub 8}SiO{sub 6}, the corresponding lithium silicates have higher CO{sub 2} capture capacity, higher turnover temperatures and heats of reaction, and require higher energy inputs for regeneration. Based on our experimentally measured isotherms of the CO{sub 2} chemisorption …

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The DOE SciDAC program funded a team that developed PFLOTRAN, the next-generation (‘peta-scale’) massively parallel, multiphase, multicomponent reactive flow and transport code. These codes are required to improve understanding and risk management of subsurface contaminant migration and geological sequestration of carbon dioxide. The important fate and transport processes occurring in the subsurface span a wide range of spatial and temporal scales, and involve nonlinear interactions among many different chemical constituents. Due to the complexity of this problem, modeling subsurface processes normally requires simplifying assumptions. However, tools of advanced scientific computing that have been used in other areas such as energy and materials research can also help address challenging problems in the environmental and geoscience fields. The overall project was led by Los Alamos National Laboratory and included Argonne, Oak Ridge and Pacific Northwest National Laboratories, in addition to the University of Illinois. This report summarizes the results of the research done at the University of Illinois, which focused on improvements to the underlying physical and computational modeling of certain transport and mixing processes.

Glycolic acid is being evaluated as an alternative for formic and nitric acid in the DWPF flowsheet. Demonstration testing and modeling for this new flowsheet has shown that glycolic acid and glycolate has a potential to remain in certain streams generated during the production of the nuclear waste glass. A literature review was conducted to assess the impact of glycolic acid on the corrosion of the materials of construction for the DWPF facility as well as facilities downstream which may have residual glycolic acid and glycolates present. The literature data was limited to solutions containing principally glycolic acid. The reported corrosion rates and degradation characteristics have shown the following for the materials of construction.  For C276 alloy, the primary material of construction for the CPC vessels, corrosion rates of either 2 or 20 mpy were reported up to a temperature of 93 C.  For the austenitic stainless steels, 304L and 316L, variable rates were reported over a range of temperatures, varying from 2 mpy up to 200 mpy (at 100 C).  For 690, G30, Allcorr, Ultimet and Stellite alloys no data were available.  For relevant polymers where data are available, the data suggests that exposure to …

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The Model 9977 Packaging was initially issued a Certificate of Compliance (CoC) by the Department of Energy’s Office of Environmental Management (DOE-EM) for the transportation of radioactive material (RAM) in the Fall of 2007. This first CoC was for a single radioactive material and two packing configurations. In the five years since that time, seven Addendums have been written to the Safety Analysis Report for Packaging (SARP) and five Letter Amendments have been written that have authorized either new RAM contents or packing configurations, or both. This paper will discuss the process of updating the 9977 SARP to include all the contents and configurations, including the addition of a new content, and its submittal for recertification.

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The author show that using existing electron gun technology and a high energy linac like the one at SLAC, it is possible to build a Free Electron Laser operating around the 4 nm water window. A modest improvement in the gun performance would further allow to extend the FEL to the 0.1 nm region. Such a system would produce radiation with a brightness many order of magnitude above that of any synchrotron radiation source, existing or under construction, with laser power in the multigawatt region and subpicosecond pulse length.

For years shipping packages have been used to store radioactive materials at many DOE sites. Recently, the K-Area Material Storage facility at the Savannah River Site became interested in and approved the Model 9977 Shipping Package for use as a storage package. In order to allow the 9977 to be stored in the facility, there were a number of evaluations and modifications that were required. There were additional suggested modifications to improve the performance of the package as a storage container that were discussed but not incorporated in the design that is currently in use. This paper will discuss the design being utilized for shipping and storage, suggested modifications that have improved the storage configuration but were not used, as well as modifications that have merit for future adaptations for both the 9977 and for other shipping packages to be used as storage packages.

New York University, Courant Institute of Mathematical Sciences, participated in the “Fusion Simulation Program (FSP) Planning Activities” [http://www.pppl.gov/fsp], with C.S. Chang as the institutional PI. FSP’s mission was to enable scientific discovery of important new plasma phenomena with associated understanding that emerges only upon integration. This requires developing a predictive integrated simulation capability for magnetically-confined fusion plasmas that are properly validated against experiments in regimes relevant for producing practical fusion energy. Specific institutional goal of the New York University was to participate in the planning of the edge integrated simulation, with emphasis on the usage of large scale HPCs, in connection with the SciDAC CPES project which the PI was leading. New York University successfully completed its mission by participating in the various planning activities, including the edge physics integration, the edge science drivers, and the mathematical verification. The activity resulted in the combined report that can be found in http://www.pppl.gov/fsp/Overview.html. Participation and presentations as part of this project are listed in a separation file.

The spread of submarines and related technology is an end product of globalization. Globalization is not a new story. By one estimate, our ancestors first crossed out of Africa roughly 80,000 years ago, and began the process that they now call globalization. With the dispersion of people around the world came the development of culture and civilization as well as the spread of ideas, goods, and technology. The process of globalization then is a long-standing one, not an innovation of the late 20th and early 21st centuries. Over the millennia, this process has been an uneven one. Globalization has often cuased great disruptions even to the societies that initiated various innovations in culture and civilization, including science and technology. Indeed, many cultures and civilizations have disappeared while some regions failed to advance as rapidly as others, so the process of globalization is not just one of continuing progress. Globalization in the current era seems to be penetrating the most remote corners of the world at a remarkable rate as a result of advances in science and technology, particularly information technology. The diffusion of science and technology is not necessarily a benign development. It could increase the potential for a global …

This is the final report for the Research Grant DE-FG02-08ER54989 'Edge Plasma Simulations in NSTX and CTF: Synergy of Lithium Coating, Non-Diffusive Anomalous Transport and Drifts'. The UCSD group including: A.Yu. Pigarov (PI), S.I. Krasheninnikov and R.D. Smirnov, was working on modeling of the impact of lithium coatings on edge plasma parameters in NSTX with the multi-species multi-fluid code UEDGE. The work was conducted in the following main areas: (i) improvements of UEDGE model for plasma-lithium interactions, (ii) understanding the physics of low-recycling divertor regime in NSTX caused by lithium pumping, (iii) study of synergistic effects with lithium coatings and non-diffusive ballooning-like cross-field transport, (iv) simulation of experimental multi-diagnostic data on edge plasma with lithium pumping in NSTX via self-consistent modeling of D-Li-C plasma with UEDGE, and (v) working-gas balance analysis. The accomplishments in these areas are given in the corresponding subsections in Section 2. Publications and presentations made under the Grant are listed in Section 3.

Particle physics aims to understand the universe around us. The Standard Model of particle physics describes the basic structure of matter and forces, to the extent we have been able to probe thus far. However, it leaves some big questions unanswered. Some are within the Standard Model itself, such as why there are so many fundamental particles and why they have different masses. In other cases, the Standard Model simply fails to explain some phenomena, such as the observed matter-antimatter asymmetry in the universe, the existence of dark matter and dark energy, and the mechanism that reconciles gravity with quantum mechanics. These gaps lead us to conclude that the universe must contain new and unexplored elements of Nature. Most of particle and nuclear physics is directed towards discovering and understanding these new laws of physics. These questions are best pursued with a variety of approaches, rather than with a single experiment or technique. Particle physics uses three basic approaches, often characterized as exploration along the cosmic, energy, and intensity frontiers. Each employs different tools and techniques, but they ultimately address the same fundamental questions. This allows a multi-pronged approach where attacking basic questions from different angles furthers knowledge and provides …

During melting of HLW glass, the REDOX of the melt pool cannot be measured. Therefore, the Fe{sup +2}/{Sigma}Fe ratio in the glass poured from the melter must be related to melter feed organic and oxidant concentrations to ensure production of a high quality glass without impacting production rate (e.g., foaming) or melter life (e.g., metal formation and accumulation). A production facility such as the Defense Waste Processing Facility (DWPF) cannot wait until the melt or waste glass has been made to assess its acceptability, since by then no further changes to the glass composition and acceptability are possible. therefore, the acceptability decision is made on the upstream process, rather than on the downstream melt or glass product. That is, it is based on 'feed foward' statistical process control (SPC) rather than statistical quality control (SQC). In SPC, the feed composition to the melter is controlled prior to vitrification. Use of the DWPF REDOX model has controlled the balanjce of feed reductants and oxidants in the Sludge Receipt and Adjustment Tank (SRAT). Once the alkali/alkaline earth salts (both reduced and oxidized) are formed during reflux in the SRAT, the REDOX can only change if (1) additional reductants or oxidants are added …

The goal of this project is to develop forensic genotyping assays for select agent viruses, enhancing the current capabilities for the viral bioforensics and law enforcement community. We used a multipronged approach combining bioinformatics analysis, PCR-enriched samples, microarrays and TaqMan assays to develop high resolution and cost effective genotyping methods for strain level forensic discrimination of viruses. We have leveraged substantial experience and efficiency gained through year 1 on software development, SNP discovery, TaqMan signature design and phylogenetic signature mapping to scale up the development of forensics signatures in year 2. In this report, we have summarized the whole genome wide SNP analysis and microarray probe design for forensics characterization of South American hemorrhagic fever viruses, tick-borne encephalitis viruses and henipaviruses, Old World Arenaviruses, filoviruses, Crimean-Congo hemorrhagic fever virus, Rift Valley fever virus and Japanese encephalitis virus.

We present results on phonon quasidiffusion and Transition Edge Sensor (TES) studies in a large, 3-inch diameter, 1-inch thick [100] high purity germanium crystal, cooled to 50 mK in the vacuum of a dilution refrigerator, and exposed with 59.5 keV gamma-rays from an Am-241 calibration source. We compare calibration data with results from a Monte Carlo which includes phonon quasidiffusion and the generation of phonons created by charge carriers as they are drifted across the detector by ionization readout channels. The phonon energy is then parsed into TES based phonon readout channels and input into a TES simulator.

Detection and identification of shielded and masked nuclear materials is crucial to national security, but vast borders and high volumes of traffic impose stringent requirements for practical detection systems. Such tools must be be mobile, and hence low power, provide a low false alarm rate, and be sufficiently robust to be operable by non-technical personnel. Currently fielded systems have not achieved all of these requirements simultaneously. Transport modeling such as that done in GADRAS is able to predict observed spectra to a high degree of fidelity; our research is focusing on a radionuclide identification algorithm that inverts this modeling within the constraints imposed by a handheld device. Key components of this work include incorporation of uncertainty as a function of both the background radiation estimate and the hypothesized sources, dimensionality reduction, and nonnegative matrix factorization. We have partially evaluated performance of our algorithm on a third-party data collection made with two different sodium iodide detection devices. Initial results indicate, with caveats, that our algorithm performs as good as or better than the on-board identification algorithms. The system developed was based on a probabilistic approach with an improved approach to variance modeling relative to past work. This system was chosen based …

In 2002, the EPA amended 40 CFR 61 Subpart H and 40 CFR 61 Appendix B Method 114 to include requirements from ANSI/HPS N13.1-1999 Sampling and Monitoring Releases of Airborne Radioactive Substances from the Stack and Ducts of Nuclear Facilities for major emission points. Additionally, the WDOH amended the Washington Administrative Code (WAC) 246-247 Radiation protection-air emissions to include ANSI/HPS N13.1-1999 requirements for major and minor emission points when new permitting actions are approved. A result of the amended regulations is the requirement to prepare a written technical basis for the radiological air emission sampling and monitoring program. A key component of the technical basis is the Potential Impact Category (PIC) assigned to an emission point. This paper discusses the PIC assignments for the Pacific Northwest National Laboratory (PNNL) Integrated Laboratory emission units; this revision includes five PIC categories.

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For the transportation of Radioactive Material (RAM) packages, the requirements for the maximum allowed dose rate at the package surface and in its vicinity are given in Title 10 of the Code of Federal Regulations, Section 71.47. The regulations are based on the acceptable dose rates to which the public, workers, and the environment may be exposed. As such, the regulations specify dose rates, rather than quantity of radioactive isotopes and require monitoring to confirm the requirements are met. 10CFR71.47 requires that each package of radioactive materials offered for transportation must be designed and prepared for shipment so that under conditions normally incident to transportation the radiation level does not exceed 2 mSv/h (200 mrem/h) at any point on the external Surface of the package, and the transport index does not exceed 10. Before shipment, the dose rate of the package is determined by measurement, ensuring that it conforms to the regulatory limits, regardless of any analyses. This is the requirement for all certified packagings. This paper discusses the requirements for establishing the dose rates when shipping RAM packages and the precedents for meeting these requirements by measurement.