Ultra supercritical (USC) power plants offer the promise of higher efficiencies and lower emissions. Current goals of the U.S. Department of Energy’s Advanced Power Systems Initiatives include coal generation at 60% efficiency, which would require steam temperatures of up to 760°C. This research examines the steamside oxidation of alloys for use in USC systems, with emphasis placed on applications in high- and intermediate-pressure turbines.

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We describe a domain decomposition algorithm for use in several variants of the parallel adaptive meshing paradigm of Bank and Holst. This algorithm has low communication, makes extensive use of existing sequential solvers, and exploits in several important ways data generated as part of the adaptive meshing paradigm. We show that for an idealized version of the algorithm, the rate of convergence is independent of both the global problem size N and the number of subdomains p used in the domain decomposition partition. Numerical examples illustrate the effectiveness of the procedure.

We use TOUGH+/GasH2O to study the effects of a heat sourceburied in the Martian permafrost to evaluate the possibility ofestablishing a wet zone of liquid water, in which terrestrialmicroorganisms could survive and multiply. Analysis of the problemindicates that (1) only a limited permafrost volume (not exceeding 0.35 min radius) is affected, (2) a "wet" zone with limited amounts of liquidwater de-velops (not exceeding 8 and 0.7 kg for a 250 W and a 62.5 Wsource, respectively), (3) the wet zone per-sists for a long time,becomes practically stationary after t = 20 sols because of venting intothe Martian atmosphere, and its thickness is limited and decreases slowlyover time, (4) a "dry" zone (where SG>0.9) evolves, continues toexpand (albeit slowly) with time, but its extent remains limited, and (5)the ice front surrounding the wet zone is self-sharpening. For a range ofinitial conditions investigated, evolution of the liquid water massoccurs at approximately the same rate, reaches roughly the same maximum,and occurs at about the same time (10 to 20 sols; 1 sol = 24.39hours).

As the world moves into the 21st century, the possibility of greater reliance on nuclear energy will impose additional technical requirements to prevent proliferation. In addition to proliferation resistant reactors, a careful examination of the various possible fuel cycles from cradle to grave will provide additional technical and nonproliferation challenges in the areas of conversion, enrichment, transportation, recycling and waste disposal. Radiation detection technology and information management have a prominent role in any future global regime for nonproliferation. As nuclear energy and hence nuclear materials become an increasingly global phenomenon, using local technologies and capabilities facilitate incorporation of enhanced monitoring and detection on the regional level. Radiation detection technologies are an important tool in the prevention of proliferation and countering radiological/nuclear terrorism. A variety of new developments have enabled enhanced performance in terms of energy resolution, spatial resolution, passive detection, predictive modeling and simulation, active interrogation, and ease of operation and deployment in the field. For example, various gamma ray imaging approaches are being explored to combine spatial resolution with background suppression in order to enhance sensitivity many-fold at reasonable standoff distances and acquisition times. New materials and approaches are being developed in order to provide adequate energy resolution in …

The evolution of the Kondo effect and magnetic correlations with size reduction in CePt{sub 2} nanoparticles (3.1-26 nm) is studied by analysis of the temperature-dependent specific heat and magnetic susceptibility. The antiferromagnetic correlations diminish with size reduction. The Kondo effect predominates at small particle size with trivalent, small Kondo temperature (T{sub K}) magnetic regions coexisting with strongly mixed valent, large T{sub K} nonmagnetic regions. We discuss the role of structural disorder, background density of states and the electronic quantum size effect on the results.

Progress from the fourth quarter 2005 activity on the project ''Design and Evaluation of Ionic Liquids as Novel CO{sub 2} Absorbents'' is provided. Major activities in three areas are reported: compound synthesis, property measurement and molecular modeling. Last quarter we reported the first ever experimental measurement of SO{sub 2} solubility in an ionic liquid. We showed that SO{sub 2} was very soluble in the ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([hmim][Tf{sub 2}N]). This quarter, we have measured SO{sub 2} solubility in two more ionic liquids: 1-hexyl-3-methylpyridinium bis(trifluoromethanesulfonyl)imide ([hmpy][Tf{sub 2}N]) and 1-hexyl-3-methylimidazolium lactate ([hmim][lactate]). As with [hmim][Tf{sub 2}N], we find very high solubility of SO{sub 2} in these ionic liquids, but the lactate compounds shows the highest affinity for SO{sub 2} at low pressure. CO{sub 2} solubility was measured in three new compounds: [boronium][Tf{sub 2}N], 1-hexyl-3-methylimidazolium acesulfumate ([hmim][ace]), and 1-hexyl-3-methylimidazolium saccharinate ([hmim][sac]). We find relatively poor solubility of CO{sub 2} in the latter two compounds, and solubility comparable to [hmim][Tf{sub 2}N] in the boronium compound. We also synthesized four new ionic liquids this quarter and continued refinement of our molecular simulation technique for measuring gas solubility.

This letter report summarizes three activities that were undertaken in FY 2005 to gather information on the DRAGON code and to perform limited evaluations of the code performance when used in the analysis of the Very High Temperature Reactor (VHTR) designs. These activities include: (1) Use of the code to model the fuel elements of the helium-cooled and liquid-salt-cooled VHTR designs. Results were compared to those from another deterministic lattice code (WIMS8) and a Monte Carlo code (MCNP). (2) The preliminary assessment of the nuclear data library currently used with the code and libraries that have been provided by the IAEA WIMS-D4 Library Update Project (WLUP). (3) DRAGON workshop held to discuss the code capabilities for modeling the VHTR.

Predictions of the recently developed paleoclassical transport model are compared with data from many toroidal plasma experiments: electron heat diffusivity in DIII-D, C-Mod and NSTX ohmic and near-ohmic plasmas; transport modeling of DIII-D ohmic-level discharges and of the RTP ECH 'stair-step' experiments with eITBs at low order rational surfaces; investigation of a strong eITB in JT-60U; H-mode Te edge pedestal properties in DIII-D; and electron heat diffusivities in non-tokamak experiments (NSTX/ST, MST/RFP, SSPX/spheromak). The radial electron heat transport predicted by the paleoclassical model is found to agree with a wide variety of ohmic-level experimental results and to set the lower limit (within a factor {approx} 2) for the radial electron heat transport in most resistive, current-carrying toroidal plasmas -- unless it is exceeded by fluctuation-induced transport, which often occurs in the edge of L-mode plasmas and when the electron temperature is high ({approx}>T{sub e}{sup crit} {approx}B{sup 2/3}{bar {alpha}}{sup 1/2} keV) because then paleoclassical transport becomes less than gyro-Bohm-level anomalous transport.

Toxic materials in DOE sites pose a significant threat to DOE personnel who must inspect these locations. Working in confined spaces further complicates the situation especially when the workers must wear heavy and cumbersome protective suits.

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Hydrocarbon oxygenate synthesis from photocatalytic reactions of CO{sub 2} and H{sub 2}O over various catalysts is a very attractive process. However, the formation rate of the hydrocarbons and oxygenates is significantly lower than conventional catalysis. One possible reason for the low rate of product formation is the presence of oxidation sites which reoxidize the products back to CO{sub 2} and H{sub 2}O. For further improvement of catalytic activity for the reduction process, it is essential to understand the oxidation reaction process. We have studied photocatalytic oxidation of methylene blue and found the oxidation rate is significantly higher than the reduction rate.

Emergency response to an atmospheric release of chemical or radiological contamination is enhanced when plume predictions, field measurements, and real-time weather information are integrated into a geospatial framework. The Weather Information and Display (WIND) System at Savannah River National Laboratory (SRNL) utilizes such an integrated framework. The rapid availability of predictions from a suite of atmospheric transport models within this geospatial framework has proven to be of great value to decision makers during an emergency involving an atmospheric contaminant release.

The Defense Waste Processing Facility (DWPF) will transition from Sludge Batch 3 (SB3) processing to Sludge Batch 4 (SB4) processing in early fiscal year 2007. Tests were conducted using non-radioactive simulants of the expected SB4 composition to determine the impact of varying the acid stoichiometry during the Sludge Receipt and Adjustment Tank (SRAT) process. The work was conducted to meet the Technical Task Request (TTR) HLW/DWPF/TTR-2004-0031 and followed the guidelines of a Task Technical and Quality Assurance Plan (TT&QAP). The flowsheet studies are performed to evaluate the potential chemical processing issues, hydrogen generation rates, and process slurry rheological properties as a function of acid stoichiometry. Initial SB4 flowsheet studies were conducted to guide decisions during the sludge batch preparation process. These studies were conducted with the estimated SB4 composition at the time of the study. The composition has changed slightly since these studies were completed due to changes in the sludges blended to prepare SB4 and the estimated SB3 heel mass. The following TTR requirements were addressed in this testing: (1) Hydrogen and nitrous oxide generation rates as a function of acid stoichiometry; (2) Acid quantities and processing times required for mercury removal; (3) Acid quantities and processing times required …

The purpose of this DOE-funded effort is to develop continuous processes for solvent extraction of coal for the production of carbon products. The largest applications are those which support metals smelting, such as anodes for aluminum smelting and electrodes for arc furnaces. Other carbon products include materials used in creating fuels for the Direct Carbon Fuel Cell, metals smelting, especially in the aluminum and steel industries, as well as porous carbon structural material referred to as ''carbon foam'' and carbon fibers. During this reporting period, coking and composite fabrication continued using coal-derived samples. These samples were tested in direct carbon fuel cells. Methodology was refined for determining the aromatic character of hydro treated liquid, based on Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR). Tests at GrafTech International showed that binder pitches produced using the WVU solvent extraction protocol can result in acceptable graphite electrodes for use in arc furnaces. These tests were made at the pilot scale.

Worldwide incidence of cutaneous malignant melanoma has increased substantially, and no screening program has yet demonstrated reduction in mortality. We evaluated the education, self examination and targeted screening campaign at the Lawrence Livermore National Laboratory (LLNL) from its beginning in July 1984 through 1996. The thickness and crude incidence of melanoma from the years before the campaign were compared to those obtained during the 13 years of screening. Melanoma mortality during the 13-year period was based on a National Death Index search. Expected yearly deaths from melanoma among LLNL employees were calculated by using California mortality data matched by age, sex, and race/ethnicity and adjusted to exclude deaths from melanoma diagnosed before the program began or before employment at LLNL. After the program began, crude incidence of melanoma thicker than 0.75 mm decreased from 18 to 4 cases per 100,000 person-years (p = 0.02), while melanoma less than 0.75mm remained stable and in situ melanoma increased substantially. No eligible melanoma deaths occurred among LLNL employees during the screening period compared with a calculated 3.39 expected deaths (p = 0.034). Education, self examination and selective screening for melanoma at LLNL significantly decreased incidence of melanoma thicker than 0.75 mm and reduced …

This cleanup verification package documents completion of remedial action for the 618-3 Solid Waste Burial Ground, also referred to as Burial Ground Number 3 and the Dry Waste Burial Ground Number 3. During its period of operation, the 618-3 site was used to dispose of uranium-contaminated construction debris from the 311 Building and construction/demolition debris from remodeling of the 313, 303-J and 303-K Buildings.

The human heart is composed of a helical network of musclefibers. Anisotropic least squares filtering followed by fiber trackingtechniques were applied to Diffusion Tensor Magnetic Resonance Imaging(DTMRI) data of the excised human heart. The fiber configuration wasvisualized by using thin tubes to increase 3-dimensional visualperception of the complex structure. All visualizations were performedusing the high-quality ray-tracing software POV-Ray. The fibers are shownwithin the left and right ventricles. Both ventricles exhibit similarfiber architecture and some bundles of fibers are shown linking right andleft ventricles on the posterior region of the heart.

During this reporting period, efforts focused on improving our understanding of the basic operating principles of the lamella classifier. It was determined from testing that product grade is primarily a function of the classifier configuration and operation and the feed grade has relatively minor influence. Additionally, within the range of the testing conducted, the feed density did not seem to have an impact of the yield. Thus, the product composition will not be strongly influenced by the variability of the feed, an important consideration for heterogeneous ponded fly ash. Three types of chemically and functionally different thermoplastic polymers have been chosen for evaluation with the fly ash derived filler: high density polyethylene, thermoplastic elastomer, and polyethylene terphthalate. The selections were based on volumes consumed in commercial and recycled products. The reference filler selected for comparison was 3 {micro}m calcium carbonate, a material which is commonly used with all three types of polymers. A procedure to prepare filled polymers has been developed and most ({approx}80%) of the polymer/filler blends have been prepared. Selected samples of filled polymers were subjected to SEM analysis to verify that the fly ash derived filler and the calcium carbonate were well dispersed. A stainless steel mold …

An interaction region (IR) with head-on collisions is considered as an alternative to the baseline configuration of the International Linear Collider (ILC) which includes two IRs with finite crossing-angles (2 and 20 mrad). Although more challenging for the beam extraction, the head-on scheme is favored by the experiments because it allows a more convenient detector configuration, particularly in the forward region. The optics of the head-on extraction is revisited by separating the e+ and e- beams horizontally, first by electrostatic separators operated at their LEP nominal field and then using a defocusing quadrupole of the final focus beam line. In this way the septum magnet is protected from the beamstrahlung power. Newly optimized final focus and extraction optics are presented, including a first look at post-collision diagnostics. The influence of parasitic collisions is shown to lead to a region of stable collision parameters. Disrupted beam and beamstrahlung photon losses are calculated along the extraction elements.

Bisection is one of the most common methods used to compute the eigenvalues of symmetric tridiagonal matrices. Bisection relies on the Sturm count: For a given shift a, the number of negative pivots in the factorization T - {sigma}I = LDL{sup T} equals the number of eigenvalues of T that are smaller than a. In IEEE-754 arithmetic, the value oo permits the computation to continue past a zero pivot, producing a correct Sturm count when T is unreduced. Demmel and Li showed that using oo rather than testing for zero pivots within the loop could significantly improve performance on certain architectures. When eigenvalues are to be computed to high relative accuracy, it is often preferable to work with LDL{sup T} factorizations instead of the original tridiagonal T. One important example is the MRRR algorithm. When bisection is applied to the factored matrix, the Sturm count is computed from LDL{sup T} which makes differential stationary and progressive qds algorithms the methods of choice. While it seems trivial to replace T by LDL{sup T}, in reality these algorithms are more complicated: In IEEE-754 arithmetic, a zero pivot produces an overflow followed by an invalid exception (NaN, or 'Not a Number') that renders …

This report explores design options for compact fast burner reactors that can achieve low conversion ratios. Operational characteristics and whole-core reactivity coefficients are generated and contrasted with low conversion ratio designs of previous studies. A compact core point design is then selected and detailed reactivity coefficients are displayed and discussed. The effectiveness of fast spectrum systems for actinide transmutation has been well documented. The key advantage of the fast spectrum resides in the severely reduced capture/fission ratios. this inhibits the production of the higher actinides that dominate the long-term radiotoxicity of nuclear waste. In conventional fast burner studies, the transmutation rate was limited by constraints placed on the fuel composition. In an earlier phase of this study the entire range of fuel compositions (including non-uranium fuel) was explored to assess the performance and safety limits of fast burner reactor systems. In this report, similar fuel compositions are utilized for application in compact configurations to achieve conversion ratios below 0.5.

This report provides the final hazard categorization (FHC) for the remediation of six solid waste disposal sites (referred to as burial grounds) located in the 300-FF-2 Operable Unit (OU) on the Hanford Site. These six sites (618-1, 618-2, 618-3, 618-7, 618-8, and 618-13 Burial Grounds) were determined to have a total radionuclide inventory (WCH 2005a, WCH 2005d, WCH 2005e and WCH 2006b) that exceeds the DOE-STD-1027 Category 3 threshold quantity (DOE 1997) and are the subject of this analysis. This FHC document examines the hazards, identifies appropriate controls to manage the hazards, and documents the FHC and commitments for the 300-FF-2 Burial Grounds Remediation Project.

This paper presents an analytical solution of reactive transport with equilibrium and kinetic reactions. A benchmark model of A {leftrightarrow} B {leftrightarrow} C {yields} chain reactions is developed for the purpose of verifying numerical computer codes and qualifying mathematical models. A reaction matrix is derived for both the equilibrium and first-order kinetic reactions and further decoupled as a diagonal matrix. Therefore, the partial differential equations (PDEs) coupled by the reaction matrix can be transformed into independent PDEs, for which closed-form solutions exist or can be derived. The analytical solution derived in this paper is compared with numerical results.