The Stockpile Stewardship Program (SSP) is a single, highly integrated technical program for maintaining the surety and reliability of the U.S. nuclear stockpile. The SSP uses past nuclear test data along with current and future non-nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering (D&E) programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of current facilities and programs along with new experimental facilities and computational enhancements to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification, to study advanced nuclear weapons design and manufacturing processes, to analyze accident scenarios and weapons aging, and to provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This requires a balanced resource, including technical staff, hardware, simulation software, and computer science solutions. In its first decade, the ASC strategy focused on demonstrating simulation capabilities of unprecedented scale in three spatial dimensions. In its second decade, ASC is …

A new aluminium complex bearing a dianionic phenylene-diamine based ligand has been synthesized and shown to catalyze the intramolecular hydroamination of various aminoalkenes.

A series of forty experiments on the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)] to study energy balance and implosion symmetry in reduced- and full-scale ignition hohlraums was shot at energies up to 1.3 MJ. This paper reports the findings of the analysis of the ensemble of experimental data obtained that has produced an improved model for simulating ignition hohlraums. Last year the first observation in a NIF hohlraum of energy transfer between cones of beams as a function of wavelength shift between those cones was reported [P. Michel, et al, Phys of Plasmas, 17, 056305, (2010)]. Detailed analysis of hohlraum wall emission as measured through the laser entrance hole (LEH) has allowed the amount of energy transferred versus wavelength shift to be quantified. The change in outer beam brightness is found to be quantitatively consistent with LASNEX [G. B. Zimmerman and W. L. Kruer, Comments Plasma Phys. Control. Fusion 2, 51 (1975)] simulations using the predicted energy transfer when possible saturation of the plasma wave mediating the transfer is included. The effect of the predicted energy transfer on implosion symmetry is also found to be in good agreement with gated x-ray framing …

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The objective of this survey was to obtain user feedback to, among other things, determine how to organize the exponentially growing data within the Atmospheric Radiation Measurement (ARM) Climate Research Facility, and identify users’ preferred data analysis system. The survey findings appear to have met this objective, having received approximately 300 responses that give insight into the type of work users perform, usage of the data, percentage of data analysis users might perform on an ARM-hosted computing resource, downloading volume level where users begin having reservations, opinion about usage if given more powerful computing resources (including ability to manipulate data), types of tools that would be most beneficial to them, preferred programming language and data analysis system, level of importance for certain types of capabilities, and finally, level of interest in participating in a code-sharing community.

A Demonstration tokamak (Demo) is an essential next step toward a magnetic-fusion based reactor. One based on advanced-tokamak (AT) plasmas is especially appealing because of its relative compactness. However, it will require many plasma measurements to provide the necessary signals to feed to ancillary systems to protect the device and control the plasma. This note addresses the question of how much intrusion into the blanket system will be required to allow the measurements needed to provide the information required for plasma control. All diagnostics will require, at least, the same shielding designs as planned for ITER, while having the capability to maintain their calibration through very long pulses. Much work is required to define better the measurement needs and the quantity and quality of the measurements that will have to be made, and how they can be integrated into the other tokamak structures.

Tall wind turbines, with hub heights at 80 m or above, can extract large amounts of energy from the atmosphere because they are likely to encounter higher wind speeds, but they face challenges given the complex nature of wind flow and turbulence at these heights in the boundary layer. Depending on whether the boundary layer is stable, neutral, or convective, the mean wind speed, direction, and turbulence properties may vary greatly across the tall turbine swept area (40 to 120 m AGL). This variability can cause tall turbines to produce difference amounts of power during time periods with identical hub height wind speeds. Using meteorological and power generation data from a West Coast North American wind farm over a one-year period, our study synthesizes standard wind park observations, such as wind speed from turbine nacelles and sparse meteorological tower observations, with high-resolution profiles of wind speed and turbulence from a remote sensing platform, to quantify the impact of atmospheric stability on power output. We first compare approaches to defining atmospheric stability. The standard, limited, wind farm operations enable the calculation only of a wind shear exponent ({alpha}) or turbulence intensity (I{sub U}) from cup anemometers, while the presence at this …

Emerging knowledge of whole prokaryotic transcriptomes could validate a number of theoretical concepts introduced in the early days of genomics. What are the rules connecting gene expression levels with sequence determinants such as quantitative scores of promoters and terminators? Are translation efficiency measures, e.g. codon adaptation index and RBS score related to gene expression? We used the whole transcriptome shotgun sequencing of a bacterial pathogen Bacillus anthracis to assess correlation of gene expression level with promoter, terminator and RBS scores, codon adaptation index, as well as with a new measure of gene translational efficiency, average translation speed. We compared computational predictions of operon topologies with the transcript borders inferred from RNA-Seq reads. Transcriptome mapping may also improve existing gene annotation. Upon assessment of accuracy of current annotation of protein-coding genes in the B. anthracis genome we have shown that the transcriptome data indicate existence of more than a hundred genes missing in the annotation though predicted by an ab initio gene finder. Interestingly, we observed that many pseudogenes possess not only a sequence with detectable coding potential but also promoters that maintain transcriptional activity.

A dense array of 99 Langmuir probes has been installed in the lower divertor region of the National Spherical Torus Experiments (NSTX). This array is instrumented with a system of elec- tronics that allows flexibility in the choice of probes to bias as well as the type of measurement (including standard swept, single probe, triple probe and operation as passive floating potential and scrape-off-layer (SOL) current monitors). The use of flush-mounted probes requires careful inter- pretation. The time dependent nature of the SOL makes swept-probe traces difficult to interpret. To overcome these challenges, the single- and triple-Langmuir probe signals are used in comple- mentary fashion to determine the temperature and density at the probe location. A comparison to mid-plane measurements is made. Work is supported by DOE contracts DE-AC02-09CHI1466 and DE-PS02-07ER07-29.

Measured energy performance data are essential to national efforts to improve building efficiency, as evidenced in recent benchmarking mandates, and in a growing body of work that indicates the value of permanent monitoring and energy information feedback. This paper presents case studies of energy information systems (EIS) at four enterprises and university campuses, focusing on the attained energy savings, and successes and challenges in technology use and integration. EIS are broadly defined as performance monitoring software, data acquisition hardware, and communication systems to store, analyze and display building energy information. Case investigations showed that the most common energy savings and instances of waste concerned scheduling errors, measurement and verification, and inefficient operations. Data quality is critical to effective EIS use, and is most challenging at the subsystem or component level, and with non-electric energy sources. Sophisticated prediction algorithms may not be well understood but can be applied quite effectively, and sites with custom benchmark models or metrics are more likely to perform analyses external to the EIS. Finally, resources and staffing were identified as a universal challenge, indicating a need to identify additional models of EIS use that extend beyond exclusive in-house use, to analysis services.

The Primary objective of the proposed project is to apply and extend the latest advancements in LWR fuel management optimization to the design of advanced boiling water reactor (BWR) fuel assemblies specifically for the recycling of minor actinides (MAs).

CgWind is a high-fidelity large eddy simulation (LES) tool designed to meet the modeling needs of wind turbine and wind park engineers. This tool combines several advanced computational technologies in order to model accurately the complex and dynamic nature of wind energy applications. The composite grid approach provides high-quality structured grids for the efficient implementation of high-order accurate discretizations of the incompressible Navier-Stokes equations. Composite grids also provide a natural mechanism for modeling bodies in relative motion and complex geometry. Advanced algorithms such as matrix-free multigrid, compact discretizations and approximate factorization will allow CgWind to perform highly resolved calculations efficiently on a wide class of computing resources. Also in development are nonlinear LES subgrid-scale models required to simulate the many interacting scales present in large wind turbine applications. This paper outlines our approach, the current status of CgWind and future development plans.

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 …

The presence of corrosive and inhibiting chemicals on the tank walls in the vapor space, arising from the waste supernatant, dictate the type and degree of corrosion that occurs there. An understanding of how waste chemicals are transported to the walls and the affect on vapor species from changing supernatant chemistry (e.g., pH, etc.), are basic to the evaluation of risks and impacts of waste changes on vapor space corrosion (VSC). In order to address these issues the expert panel workshop on double-shell tank (DST) vapor space corrosion testing (RPP-RPT-31129) participants made several recommendations on the future data and modeling needs in the area of DST corrosion. In particular, the drying of vapor phase condensates or supernatants can form salt or other deposits at the carbon steel interface resulting in a chemical composition at the near surface substantially different from that observed directly in the condensates or the supernatants. As a result, over the past three years chemical modeling and experimental studies have been performed on DST supernatants and condensates to predict the changes in chemical composition that might occur as condensates or supernatants equilibrate with the vapor space species and dry at the carbon steel surface. The experimental studies …

This article describes the implementation of the Building Controls Virtual Test Bed (BCVTB). The BCVTB is a software environment that allows connecting different simulation programs to exchange data during the time integration, and that allows conducting hardware in the loop simulation. The software architecture is a modular design based on Ptolemy II, a software environment for design and analysis of heterogeneous systems. Ptolemy II provides a graphical model building environment, synchronizes the exchanged data and visualizes the system evolution during run-time. The BCVTB provides additions to Ptolemy II that allow the run-time coupling of different simulation programs for data exchange, including EnergyPlus, MATLAB, Simulink and the Modelica modelling and simulation environment Dymola. The additions also allow executing system commands, such as a script that executes a Radiance simulation. In this article, the software architecture is presented and the mathematical model used to implement the co-simulation is discussed. The simulation program interface that the BCVTB provides is explained. The article concludes by presenting applications in which different state of the art simulation programs are linked for run-time data exchange. This link allows the use of the simulation program that is best suited for the particular problem to model building heat transfer, …

We report results from research aimed at developing and demonstrating production of 2-D readout structures for GEM (Gas Electron Multiplier) charged particle tracking chambers at Tech-Etch. Readout boards of two types, bi-planar and single plane, were fabricated and evaluated. The results show that Tech-Etch can produce suitable boards of either type however the single plane board has a number of advantages both in production and use that will likely make it the preferred choice for GEM tracking chambers.

Tech-Etch has considerable experience in numerous related high precision etched Kapton® products including production of GEM foils. The required precision and production process for 2-D readout boards is similar to that developed for GEM foil production. Additionally, Tech-Etch has strong ties with several research institutions (namely Brookhaven National Laboratory, MIT and Yale University) that can help design and evaluate the performance of the readout boards produced at Tech-Etch. Since Tech-Etch is a small company, it also has the capability to produce a large variety of part configurations, optimized for a particular customer’s requirements. We report results from research aimed at developing and demonstrating production of 2-D readout structures for GEM (Gas Electron Multiplier) charged particle tracking chambers at Tech-Etch. Readout boards of two types, bi-planar and single plane, were fabricated and evaluated. The results show that Tech-Etch can produce suitable boards of either type however the single plane board has a number of advantages both in production and use that will likely make it the preferred choice for GEM tracking chambers.

The Devonian carbonates of the Duperow Formation on the western flank of the Williston Basin in southwest Saskatchewan contain natural accumulations of CO{sub 2}, and may have done so for as long as 50 m.y. in the views of some investigations. These carbonate sediments are characterized by a succession of carbonate cycles capped by anhydrite-rich evaporites that are thought to act as seals to fluid migration. The Weyburn CO{sub 2} injection site lies 400 km to the east in a series of Mississippian carbonates that were deposited in a similar depositional environment. That natural CO{sub 2} can be stored long-term within carbonate strata has motivated the investigation of the Duperow rocks as a potential natural analogue to storage of anthropogenic CO{sub 2} that may ultimately provide additional confidence for CO{sub 2} sequestration in carbonate lithologies. For the Duperow strata to represent a legitimate analog for Midale injection and storage, the similarity in lithofacies, whole rock compositions, mineral compositions and porosity with the Midale Beds must be established. Previous workers have demonstrated the similarity of the lithofacies at both sites. Here we compare the whole rock compositions, mineralogy and mineral compositions. The major mineral phases at both locales are calcite, dolomite …

This Corrective Action Decision Document/Corrective Action Plan (CADD/CAP) has been prepared for the 92-Acre Area, the southeast quadrant of the Radioactive Waste Management Site, located in Area 5 of the Nevada National Security Site (NNSS). The 92-Acre Area includes Corrective Action Unit (CAU) 111, 'Area 5 WMD Retired Mixed Waste Pits.' Data Quality Objectives (DQOs) were developed for the 92-Acre Area, which includes CAU 111. The result of the DQO process was that the 92-Acre Area is sufficiently characterized to provide the input data necessary to evaluate corrective action alternatives (CAAs) without the collection of additional data. The DQOs are included as Appendix A of this document. This CADD/CAP identifies and provides the rationale for the recommended CAA for the 92-Acre Area, provides the plan for implementing the CAA, and details the post-closure plan. When approved, this CADD/CAP will supersede the existing Pit 3 (P03) Closure Plan, which was developed in accordance with Title 40 Code of Federal Regulations (CFR) Part 265, 'Interim Status Standards for Owners and Operators of Hazardous Waste Treatment, Storage, and Disposal Facilities.' This document will also serve as the Closure Plan and the Post-Closure Plan, which are required by 40 CFR 265, for the 92-Acre …

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New chemical kinetic reaction mechanisms are developed for two of the five major components of biodiesel fuel, methyl stearate and methyl oleate. The mechanisms are produced using existing reaction classes and rules for reaction rates, with additional reaction classes to describe other reactions unique to methyl ester species. Mechanism capabilities were examined by computing fuel/air autoignition delay times and comparing the results with more conventional hydrocarbon fuels for which experimental results are available. Additional comparisons were carried out with measured results taken from jet-stirred reactor experiments for rapeseed methyl ester fuels. In both sets of computational tests, methyl oleate was found to be slightly less reactive than methyl stearate, and an explanation of this observation is made showing that the double bond in methyl oleate inhibits certain low temperature chain branching reaction pathways important in methyl stearate. The resulting detailed chemical kinetic reaction mechanism includes more approximately 3500 chemical species and more than 17,000 chemical reactions.

In this study, a hydrodynamic model based on the unstructured-grid finite volume coastal ocean model (FVCOM) was developed for Bellingham Bay, Washington. The model simulates water surface elevation, velocity, temperature, and salinity in a three-dimensional domain that covers the entire Bellingham Bay and adjacent water bodies, including Lummi Bay, Samish Bay, Padilla Bay, and Rosario Strait. The model was developed using Pacific Northwest National Laboratory’s high-resolution Puget Sound and Northwest Straits circulation and transport model. A sub-model grid for Bellingham Bay and adjacent coastal waters was extracted from the Puget Sound model and refined in Bellingham Bay using bathymetric light detection and ranging (LIDAR) and river channel cross-section data. The model uses tides, river inflows, and meteorological inputs to predict water surface elevations, currents, salinity, and temperature. A tidal open boundary condition was specified using standard National Oceanic and Atmospheric Administration (NOAA) predictions. Temperature and salinity open boundary conditions were specified based on observed data. Meteorological forcing (wind, solar radiation, and net surface heat flux) was obtained from NOAA real observations and National Center for Environmental Prediction North American Regional Analysis outputs. The model was run in parallel with 48 cores using a time step of 2.5 seconds. It took …

Final Closeout report for DE-FG02-02ER41223