The high operating temperature of solid oxide fuel cells (SOFCs) provides good fuel flexibility which expands potential applications, but also creates materials challenges. One such challenge is the interconnect material, which was the focus of this project. In particular, the objective of the project was to understand the interaction between the interconnect alloy and ceramic coatings which are needed to minimize chromium volatilization and the associated chromium poisoning of the SOFC cathode. This project focused on coatings based on manganese cobalt oxide spinel phases (Mn,Co)3O4, which have been shown to be effective as coatings for ferritic stainless steel alloys. Analysis of diffusion couples was used to develop a model to describe the interaction between (Mn,Co)3O4 and Cr2O3 in which a two-layer reaction zone is formed. Both layers form the spinel structure, but the concentration gradients at the interface appear like a two-phase boundary suggesting that a miscibility gap is present in the spinel solid solution. A high-chromium spinel layer forms in contact with Cr2O3 and grows by diffusion of manganese and cobalt from the coating material to the Cr2O3. The effect of coating composition, including the addition of dopants, was evaluated and indicated that the reaction rate could be decreased …

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.

The three major components of this research were: 1. Application of minimally invasive, cost effective hydrogeophysical techniques (surface and borehole), to generate fine scale (~1m or less) 3D estimates of subsurface heterogeneity. Heterogeneity is defined as spatial variability in hydraulic conductivity and/or hydrolithologic zones. 2. Integration of the fine scale characterization of hydrogeologic parameters with the hydrogeologic facies to upscale the finer scale assessment of heterogeneity to field scale. 3. Determination of the relationship between dual-domain parameters and practical characterization data.

Hanford sediments impacted by hyperalkaline high level radioactive waste have undergone incongruent silicate mineral weathering concurrent with contaminant uptake. In this project, we studied the impact of background pore water (BPW) on strontium, cesium and iodine desorption and transport in Hanford sediments that were experimentally weathered by contact with simulated hyperalkaline tank waste leachate (STWL) solutions. Using those lab-weathered Hanford sediments (HS) and model precipitates formed during nucleation from homogeneous STWL solutions (HN), we (i) provided thorough characterization of reaction products over a matrix of field-relevant gradients in contaminant concentration, partial pressure of carbon dioxide, and reaction time; (ii) improved molecular-scale understanding of how sorbate speciation controls contaminant desorption from weathered sediments upon removal of caustic sources; and (iii) developed a mechanistic, predictive model of meso- to field-scale contaminant reactive transport under these conditions. In this final report, we provide detailed descriptions of our results from this three-year study, completed in 2012 following a one-year no cost extension.

This brief report contains a critique of two key components of FiveFocal's cost model for glass compression molding of chalcogenide lenses for infrared applications. Molding preforms and mold technology have the greatest influence on the ultimate cost of the product and help determine the volumes needed to select glass molding over conventional single-point diamond turning or grinding and polishing. This brief report highlights key areas of both technologies with recommendations for further study.

The energy-partitioning, energy-coupling (EPEC) experiments at the National Ignition Facility (NIF) will simultaneously measure the coupling of energy into both ground shock and air-blast overpressure from a laser-driven target. The source target for the experiment is positioned at a known height above the ground-surface simulant and is heated by four beams from NIF. The resulting target energy density and specific energy are equal to those of a low-yield nuclear device. The ground-shock stress waves and atmospheric overpressure waveforms that result in our test system are hydrodynamically scaled analogs of seismic and air-blast phenomena caused by a nuclear weapon. In what follows, we discuss the motivation for our investigation and briefly describe NIF. Then, we introduce the EPEC experiments, including diagnostics, in more detail.

The Department of Energy’s High Temperature, Low Relative Humidity Membrane Program was begun in 2006 with the Florida Solar Energy Center (FSEC) as the lead organization. During the first three years of the program, FSEC was tasked with developing non-Nafion® proton exchange membranes with improved conductivity for fuel cells. Additionally, FSEC was responsible for developing protocols for the measurement of in-plane conductivity, providing conductivity measurements for the other funded teams, developing a method for through-plane conductivity and organizing and holding semiannual meetings of the High Temperature Membrane Working Group (HTMWG). The FSEC membrane research focused on the development of supported poly[perfluorosulfonic acid] (PFSA) – Teflon membranes and a hydrocarbon membrane, sulfonated poly(ether ether ketone). The fourth generation of the PFSA membrane (designated FSEC-4) came close to, but did not meet, the Go/No-Go milestone of 0.1 S/cm at 50% relative humidity at 120 °C. In-plane conductivity of membranes provided by the funded teams was measured and reported to the teams and DOE. Late in the third year of the program, DOE used this data and other factors to decide upon the teams to continue in the program. The teams that continued provided promising membranes to FSEC for development of membrane electrode …

Recently, variational symplectic algorithms have been developed for the long-time simulation of charged particles in magnetic fields1-3. As a direct consequence of their derivation from a discrete variational principle, these algorithms have very good long-time energy conservation, as well as exactly preserving discrete momenta. We present stability results for these algorithms, focusing on understanding how explicit variational integrators can be designed for this type of system. It is found that for explicit algorithms an instability arises because the discrete symplectic structure does not become the continuous structure in the t → 0 limit. We examine how a generalized gauge transformation can be used to put the Lagrangian in the "antisymmetric discretization gauge," in which the discrete symplectic structure has the correct form, thus eliminating the numerical instability. Finally, it is noted that the variational guiding center algorithms are not electromagnetically gauge invariant. By designing a model discrete Lagrangian, we show that the algorithms are approximately gauge invariant as long as A and #30; are relatively smooth. A gauge invariant discrete Lagrangian is very important in a variational particle-in-cell algorithm where it ensures current continuity and preservation of Gauss's law4.

We report the first detection of very-high-energy (VHE) gamma-ray emission above 140GeV from PKS 1424+240, a BL Lac object with an unknown redshift. The photon spectrum above 140GeV measured by VERITAS is well described by a power law with a photon index of 3.8 {+-}0.5{sub stat} {+-} 0.3{sub syst} and a flux normalization at 200 GeV of (5.1 {+-} 0.9{sub stat} {+-} 0.5{sub syst}) x 10{sup -11} TeV{sup -1} cm{sup -2} s{sup -1}, where stat and syst denote the statistical and systematical uncertainty, respectively. The VHE flux is steady over the observation period between MJD 54881 and 55003 (2009 February 19 to June 21). Flux variability is also not observed in contemporaneous high energy observations with the Fermi Large Area Telescope (LAT). Contemporaneous X-ray and optical data were also obtained from the Swift XRT and MDM observatory, respectively. The broadband spectral energy distribution (SED) is well described by a one-zone synchrotron self-Compton (SSC) model favoring a redshift of less than 0.1. Using the photon index measured with Fermi in combination with recent extragalactic background light (EBL) absorption models it can be concluded from the VERITAS data that the redshift of PKS 1424+240 is less than 0.66.

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We have completed our characterization of both the transcriptional regulatory network and post-transcriptional regulatory motifs in Shewanella.

Silicon photovoltaic (PV) cells are alternative energy sources that are important in sustainable power generation. Currently, applications of PV cells are limited by the low output voltage and somewhat low efficiency of such devices. In light of this fact, this project investigates the possibility of fabricating high-voltage PV cells on float-zone silicon wafers having output voltages ranging from 50 V to 2000 V. Three designs with different geometries of diffusion layers were simulated and compared in terms of metal coverage, recombination, built-in potential, and conduction current density. One design was then chosen and optimized to be implemented in the final device design. The results of the simulation serve as a feasibility test for the design concept and provide supportive evidence of the effectiveness of silicon PV cells as high-voltage power supplies.

In this note, the analysis on linac quadrupole misalignment is presented for the FACET linac section LI05-09 plus LI11-19. The effectiveness of the beam-based alignment technique is preliminarily confirmed by the measurement. Beam-based alignment technique was adopted at SLAC linac since SLC time. Here the beam-based alignment algorithms are further developed and applied in the FACET commissioning during 2012 run.

The prior project consisted of two main project lines. First, characterization of novel nanomaterials for hydrodesulfurization (HDS) applications. Second, studying more traditional model systems for HDS such as vapor-deposited silica-supported Mo and MoSx clusters. In the first subproject, we studied WS2 and MoS2 fullerene-like nanoparticles as well as WS2 nanotubes. Thiophene (C4H4S) was used as the probe molecule. Interestingly, metallic and sulfur-like adsorption sites could be identified on the silica-supported fullerene-particles system. Similar structures are seen for the traditional system (vapor-deposited clusters). Thus, this may be a kinetics fingerprint feature of modern HDS model systems. In addition, kinetics data allowed characterization of the different adsorption sites for thiophene on and inside WS2 nanotube bundles. The latter is a unique feature of nanotubes that has not been reported before for any inorganic nanotube system; however, examples are known for carbon nanotubes, including prior work of the PI. Although HDS has been studied for decades, utilizing nanotubes as nanosized HDS reactors has never been tried before, as far as we know. This is of interest from a fundamental perspective. Unfortunately, the HDS activity of the nanocatalysts at ultra-high vacuum (UHV) conditions was close to the detection limit of our techniques. Therefore, we …

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.

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 …

The purpose of this project was to better understand the 'Multiscale Dynamics of Relaxor Ferroelectrics'. The output of the project is summarized in the narrative. The results of the work were presented at a number of different conferences and four papers were written, the references to which are also indicated in the report and which have also been uploaded on e-link. The multiscale dynamics of relaxors was clearly identified in the three characteristic temperatures that were identified. In particular, we were the first group to identify an intermediate temperature, T*, at which the correlations between off-center ions in relaxor cross-over from being dynamic to being static and giving rise to the characteristic relaxor behavior in the dielectric constant. Other groups have now confirmed the existence of such an intermediate temperature. We also made and reported two other observations: (1) a coherent interference phenomena (EIT-like effect) near the transition of several relaxors, which provides information on the nature and mechanism of the transition; and (2) in a similar way, inelastic neutron scattering results were interpreted as resonant scattering of acoustic phonons by localized modes in polar nanodomains. In parallel with the neutron scattering work, we also developed a theory of the …

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The Integrated Field Research Challenge (IFRC) at the Hanford Site 300 Area uranium (U) plume addresses multi-scale mass transfer processes in a complex subsurface biogeochemical setting where groundwater and riverwater interact. A series of forefront science questions on reactive mass transfer motivates research. These questions relate to the effect of spatial heterogeneities; the importance of scale; coupled interactions between biogeochemical, hydrologic, and mass transfer processes; and measurements and approaches needed to characterize and model a mass-transfer dominated biogeochemical system. The project was initiated in February 2007, with CY 2007, CY 2008, CY 2009, and CY 2010 progress summarized in preceding reports. A project peer review was held in March 2010, and the IFRC project acted upon all suggestions and recommendations made in consequence by reviewers and SBR/DOE. These responses have included the development of 'Modeling' and 'Well-Field Mitigation' plans that are now posted on the Hanford IFRC web-site, and modifications to the IFRC well-field completed in CY 2011. The site has 35 instrumented wells, and an extensive monitoring system. It includes a deep borehole for microbiologic and biogeochemical research that sampled the entire thickness of the unconfined 300 A aquifer. Significant, impactful progress has been made in CY 2011 including: …

A region-wide Energy Imbalance Market (EIM) was recently proposed by the Western Electricity Coordinating Council (WECC). In order for the Western Area Power Administration (Western) to make more informed decisions regarding its involvement in the EIM, Western asked Argonne National Laboratory (Argonne) to review the EIM benefits study (the October 2011 revision) performed by Energy and Environmental Economics, Inc. (E3). Key components of the E3 analysis made use of results from a study conducted by the National Renewable Energy Laboratory (NREL); therefore, we also reviewed the NREL work. This report examines E3 and NREL methods and models used in the EIM study. Estimating EIM benefits is very challenging because of the complex nature of the Western Interconnection (WI), the variability and uncertainty of renewable energy resources, and the complex decisions and potentially strategic bidding of market participants. Furthermore, methodologies used for some of the more challenging aspects of the EIM have not yet matured. This review is complimentary of several components of the EIM study. Analysts and modelers clearly took great care when conducting detailed simulations of the WI using well-established industry tools under stringent time and budget constraints. However, it is our opinion that the following aspects of the …

Improving the representation of local and non-local aerosol interactions in state-of-the-science regional climate models is a priority for the coming decade (Zhang, 2008). With this aim in mind, we have combined two new technologies that have a useful synergy: (1) an aerosol-enabled regional climate model (Advanced Weather Research and Forecasting Model with Chemistry WRF-Chem), whose primary weakness is a lack of high quality boundary conditions and (2) an aerosol-enabled multiscale modeling framework (PNNL Multiscale Aerosol Climate Model (MACM)), which is global but captures aerosol-convection-cloud feedbacks, and thus an ideal source of boundary conditions. Combining these two approaches has resulted in an aerosol-enabled modeling framework that not only resolves high resolution details in a particular region, but crucially does so within a global context that is similarly faithful to multi-scale aerosol-climate interactions. We have applied and improved the representation of aerosol interactions by evaluating model performance over multiple domains, with (1) an extensive evaluation of mid-continent precipitation representation by multiscale modeling, (2) two focused comparisons to transport of aerosol plumes to the eastern United States for comparison with observations made as part of the International Consortium for Atmospheric Research on Transport and Transformation (ICARTT), with the first being idealized and the …

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We have completed our contributions to the Fusion Simulation Program Definition Project. Our contributions were in the overall planning with concentration in the definition of the area of Software Integration and Support. We contributed to the planning of multiple meetings, and we contributed to multiple planning documents.

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.