In this report, we describe the research accomplished by the OSU team under the Pmodels2 project. The team has worked on various angles: designing high performance MPI implementations on modern networking technologies (Mellanox InfiniBand (including the new ConnectX2 architecture and Quad Data Rate), QLogic InfiniPath, the emerging 10GigE/iWARP and RDMA over Converged Enhanced Ethernet (RoCE) and Obsidian IB-WAN), studying MPI scalability issues for multi-thousand node clusters using XRC transport, scalable job start-up, dynamic process management support, efficient one-sided communication, protocol offloading and designing scalable collective communication libraries for emerging multi-core architectures. New designs conforming to the Argonne’s Nemesis interface have also been carried out. All of these above solutions have been integrated into the open-source MVAPICH/MVAPICH2 software. This software is currently being used by more than 2,100 organizations worldwide (in 71 countries). As of January ’14, more than 200,000 downloads have taken place from the OSU Web site. In addition, many InfiniBand vendors, server vendors, system integrators and Linux distributors have been incorporating MVAPICH/MVAPICH2 into their software stacks and distributing it. Several InfiniBand systems using MVAPICH/MVAPICH2 have obtained positions in the TOP500 ranking of supercomputers in the world. The latest November ’13 ranking include the following systems: 7th ranked Stampede …

This project united researchers from mathematics, chemistry, computer science, and engineering for the development of new multiscale methods for the design of materials. Our approach was highly interdisciplinary, but it had two unifying themes: first, we utilized modern mathematical ideas about change-of-scale and state-of-the-art numerical analysis to develop computational methods and codes to solve real multiscale problems of DOE interest; and, second, we took very seriously the need for quantum mechanics-based atomistic forces, and based our methods on fast solvers of chemically accurate methods.

Air Products and Chemicals, Inc. has completed a comprehensive, multiyear project to demonstrate a hydrogen infrastructure in California. The specific primary objective of the project was to demonstrate a model of a “real-world” retail hydrogen infrastructure and acquire sufficient data within the project to assess the feasibility of achieving the nation’s hydrogen infrastructure goals. The project helped to advance hydrogen station technology, including the vehicle-to-station fueling interface, through consumer experiences and feedback. By encompassing a variety of fuel cell vehicles, customer profiles and fueling experiences, this project was able to obtain a complete portrait of real market needs. The project also opened its stations to other qualified vehicle providers at the appropriate time to promote widespread use and gain even broader public understanding of a hydrogen infrastructure. The project engaged major energy companies to provide a fueling experience similar to traditional gasoline station sites to foster public acceptance of hydrogen. Work over the course of the project was focused in multiple areas. With respect to the equipment needed, technical design specifications (including both safety and operational considerations) were written, reviewed, and finalized. After finalizing individual equipment designs, complete station designs were started including process flow diagrams and systems safety reviews. …

With an average herd size of 113 mature cows, Cayuga County is home to 280 dairy farms and 31,500 dairy milking cows producing approximately 855 million gallons of milk per year. The Cayuga Dairy industry is a major contributor to the countys economy, employing nearly 1200 people, while generating $140,000,000 of revenue from sale of milk alone. At the same time, the Cayuga County dairy industry also produces 5.7 million gallons of manure daily: a) Nearly 34% of this manure is produced on smaller farms. b) Digesters are expensive pieces of equipment and require attention and care. c) The on-farm digester systems have fairly long payback (>10 years) even for larger CAFO farms (>1000 milking cows). In 2005, Cayuga County Soil and Water Conservation District (The District), a Public Agency under Cayuga County, decided to undertake a centralized community digester project. The primary goal of the project was to develop an economically sustainable model, under the auspices of The District to address manure management issues facing the smaller dairies, improve the water quality and improve the quality of life for Cayuga County residents. It is believed that the District has accomplished this goal by completing construction of Cayuga County Regional …

Four complete surveys were conducted during 2012. The surveys were conducted on April 5, June 19, October 25, and December 18. During the first survey, conducted on April 5, the aerial survey crew detected 26 elk while the ground survey crew detected zero. For the June 19 survey, the aerial survey detected four elk not detected by the ground crew, while the ground crew detected 13 elk not detected by the aerial crew. A total of 17 elk were detected on June 19, 2012. On October 25, surveyors detected two herds of elk. Both the aerial and ground crews detected one herd of six, while only the ground crew detected the other herd of four. No elk were observed during the final survey, conducted on December 18.

The work reported is in pursuit of these goals: high-quality unstructured, non-uniform Voronoi and Delaunay grids; improved finite element and finite volume discretization schemes; and improved finite element and finite volume discretization schemes. These are sought for application to spherical and three-dimensional applications suitable for ocean, atmosphere, ice-sheet, and other climate modeling applications.

This report lists of archival journal articles that were written with support from this grant. Research objectives from the original proposal are given, along with papers that were written to meet each of those objectives. The papers are all available in the archival literature.

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A synthetic magnetic diagnostics code for fusion equilibria is presented. This code calculates the response of various magnetic diagnostics to the equilibria produced by the VMEC and PIES codes. This allows for treatment of equilibria with both good nested flux surfaces and those with stochastic regions. DIAGNO v2.0 builds upon previous codes through the implementation of a virtual casing principle. The code is validated against a vacuum shot on the Large Helical Device (LHD) where the vertical field was ramped. As an exercise of the code, the diagnostic response for various equilibria are calculated on the LHD.

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Clouds in the tropical western Pacific are an integral part of the large scale environment. An improved understanding of the multi-scale structure of clouds and their interactions with the environment is critical to the ARM (Atmospheric Radiation Measurement) program for developing and evaluating cloud parameterizations, understanding the consequences of model biases, and providing a context for interpreting the observational data collected over the ARM Tropical Western Pacific (TWP) sites. Three-dimensional cloud resolving models (CRMs) are powerful tools for developing and evaluating cloud parameterizations. However, a significant challenge in using CRMs in the TWP is that the region lacks conventional data, so large uncertainty exists in defining the large-scale environment for clouds. This project links several aspects of the ARM program, from measurements to providing improved analyses, and from cloud-resolving modeling to climate-scale modeling and parameterization development, with the overall objective to improve the representations of clouds in climate models and to simulate and quantify resolved cloud effects on the large-scale environment. Our objectives will be achieved through a series of tasks focusing on the use of the Weather Research and Forecasting (WRF) model and ARM data. Our approach includes: -- Perform assimilation of COSMIC GPS radio occultation and other satellites …

The primary purpose of this project was to combine the ease-of-installation and ease-of-use attributes of industrial induction motors with the low-loss and small size and weight advantages of PM motors to create an ultra-efficient, high power density industrial motor that can be started across-the-line or operated from a standard, Volts/Hertz drive without the need for a rotor position feedback device. PM motor products that are currently available are largely variable speed motors that require a special adjustable speed drive with rotor position feedback. The reduced size and weight helps to offset the magnet cost in order make these motors commercially viable. The scope of this project covers horsepower ratings from 20 ? 500. Prototypes were built and tested at ratings ranging from 30 to 250 HP. Since fans, pumps and compressors make up a large portion of industrial motor applications, the motor characteristics are tailored to those applications. Also, since there is extensive use of adjustable frequency inverters in these applications, there is the opportunity to design for an optimal pole number and operate at other than 60 Hz frequency when inverters are utilized. Designs with four and eight pole configurations were prototyped as part of this work. Four pole …

We present a new package, VEST (Vector Einstein Summation Tools), that performs abstract vector calculus computations in Mathematica. Through the use of index notation, VEST is able to reduce scalar and vector expressions of a very general type using a systematic canonicalization procedure. In addition, utilizing properties of the Levi-Civita symbol, the program can derive types of multi-term vector identities that are not recognized by canonicalization, subsequently applying these to simplify large expressions. In a companion paper [1], we employ VEST in the automation of the calculation of Lagrangians for the single particle guiding center system in plasma physics, a computation which illustrates its ability to handle very large expressions. VEST has been designed to be simple and intuitive to use, both for basic checking of work and more involved computations. __________________________________________________

The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of nuclear forces, one faces the quantum-mechanical many-nucleon problem governed by an interplay between bound and continuum states. In recent years, significant progress has been made in ab initio nuclear structure and reaction calculations based on input from QCD employing Hamiltonians constructed within chiral effective field theory. In this contribution, we present one of such promising techniques capable of describing simultaneously both bound and scattering states in light nuclei. By combining the resonating-group method (RGM) with the ab initio no-core shell model (NCSM), we complement a microscopic cluster approach with the use of realistic interactions and a microscopic and consistent description of the clusters. We discuss applications to light nuclei scattering, radiative capture and fusion reactions.

Dynamical chiral symmetry breaking and its connection to the generation of hadron masses has historically been viewed as a vacuum phenomenon. We argue that confinement makes such a position untenable. If quark-hadron duality is a reality in QCD, then condensates, those quantities that have commonly been viewed as constant empirical mass-scales that fill all spacetime, are instead wholly contained within hadrons; i.e., they are a property of hadrons themselves and expressed, e.g., in their Bethe-Salpeter or light-front wave functions. We explain that this paradigm is consistent with empirical evidence, and incidentally expose misconceptions in a recent Comment.

Dissolved CO{sub 2} in groundwater is frequently supersaturated relative to its equilibrium with atmospheric partial pressure and will degas when it is conveyed to the surface. Estimates of dissolved CO{sub 2} concentrations can vary widely between different hydrochemical facies because they have different sources of error (e.g., rapid degassing, low alkalinity, non-carbonate alkalinity). We sampled 60 natural spring and mine waters using a beverage industry carbonation meter, which measures dissolved CO{sub 2} based on temperature and pressure changes as the sample volume is expanded. Using a modified field protocol, the meter was found to be highly accurate in the range 0.2–35 mMCO{sub 2}. The meter provided rapid, accurate and precise measurements of dissolved CO{sub 2} in natural waters for a range of hydrochemical facies. Dissolved CO{sub 2} concentrations measured in the field with the carbonation meter were similar to CO{sub 2} determined using the pH-alkalinity approach, but provided immediate results and avoided errors from alkalinity and pH determination. The portability and ease of use of the carbonation meter in the field made it well-suited to sampling in difficult terrain. The carbonation meter has proven useful in the study of aquatic systems where CO{sub 2} degassing drives geochemical changes that result …

One of the crucial questions of all actinide electronic structure determinations is the issue of 5f versus 6d character and the distribution of these components across the density of states. Here, a break-though experiment is discussed, which has allowed the direct determination of the U5f and U6d contributions to the unoccupied density of states (UDOS) in Uranium Dioxide. A novel Resonant Inverse Photoelectron (RIPES) and X-ray Emission Spectroscopy (XES) investigation of UO{sub 2} is presented. It is shown that the U5f and U6d components are isolated and identified unambiguously.

HB-Line will begin processing Pu solutions during FY2012 that will involve the recovery of Pu using oxalate precipitation and filtration. After the precipitation and filtration processes, the filtrate solution will be transferred from HB-Line to H-Canyon. The presence of excess oxalate and unfiltered Pu oxalate solids in these solutions create a criticality safety issue if they are sent to H-Canyon without controls in H-Canyon. One approach involves H-Canyon receiving the filtrate solution into a tank that is poisoned with soluble gadolinium (Gd). Decomposition of the oxalate will occur within a subsequent H-Canyon vessel. The receipt of excess oxalate into the H-Canyon receipt tanks has the potential to precipitate a portion of the Gd poison in the receipt tanks. Because the amount of Gd in solution determines the maximum amount of Pu solids that H-Canyon can receive, H-Canyon Engineering requested that SRNL determine the solubility of Gd in aqueous solutions of 4-10 M nitric acid (HNO{sub 3}), 4-12 g/L Gd, and 0.15-0.25 M oxalic acid (H{sub 2}C{sub 2}O{sub 4}) at 25 °C. The target soluble Gd concentration is 6 g/L. The data indicate that the target can be achieved above 6 M HNO{sub 3} and below 0.25 M H{sub 2}C{sub 2}O{sub …

Fuel cell stacks are typically hand-assembled and tested. As a result the manufacturing process is labor-intensive and time-consuming. The fluid leakage in fuel cell stacks may reduce fuel cell performance, damage fuel cell stack, or even cause fire and become a safety hazard. Leak check is a critical step in the fuel cell stack manufacturing. The fuel cell industry is in need of fuel cell leak-test processes and equipment that is automatic, robust, and high throughput. The equipment should reduce fuel cell manufacturing cost.

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Wind is a significant source of energy; however, the human capability to produce electrical energy still has many hurdles to overcome. One of these is the unpredictability of the winds in the atmospheric boundary layer (ABL). The ABL is highly turbulent in both stable and unstable conditions (based on the vertical temperature profile) and the resulting fluctuations can have a dramatic impact on wind turbine operation. Any method by which these fluctuations could be observed, estimated, or predicted could provide a benefit to the wind energy industry as a whole. Based on the fundamental coupling of velocity fluctuations to pressure fluctuations in the nearly incompressible flow in the ABL, This work hypothesizes that a ground-based array of infrasonic pressure transducers could be employed to estimate the vertical wind profile over a height relevant for wind turbines. To analyze this hypothesis, experiments and field deployments were conducted. Wind tunnel experiments were performed for a thick turbulent boundary layer over a neutral or heated surface. Surface pressure and velocity probe measurements were acquired simultaneously. Two field deployments yielded surface pressure data from a 49 element array. The second deployment at the Reese Technology Center in Lubbock, TX, also included data from a …

Exascale class machines will exhibit a new level of complexity: they will feature an unprecedented number of cores and threads, will most likely be heterogeneous and deeply hierarchical, and offer a range of new hardware techniques (such as speculative threading, transactional memory, programmable prefetching, and programmable accelerators), which all have to be utilized for an application to realize the full potential of the machine. Additionally, users will be faced with less memory per core, fixed total power budgets, and sharply reduced MTBFs. At the same time, it is expected that the complexity of applications will rise sharply for exascale systems, both to implement new science possible at exascale and to exploit the new hardware features necessary to achieve exascale performance. This is particularly true for many of the NNSA codes, which are large and often highly complex integrated simulation codes that push the limits of everything in the system including language features. To overcome these limitations and to enable users to reach exascale performance, users will expect a new generation of tools that address the bottlenecks of exascale machines, that work seamlessly with the (set of) programming models on the target machines, that scale with the machine, that provide automatic …

Savannah River National Laboratory (SRNL) prepared a nominal 150 gallon batch of Next Generation Solvent (NGS) for Parsons. This material was then analyzed and tested for cesium mass transfer efficiency. The bulk of the results indicate that the solvent is qualified as acceptable for use in the upcoming pilot-scale testing at Parsons Technology Center. This report describes the analysis and testing of a batch of Next Generation Solvent (NGS) prepared in support of pilot-scale testing in the Parsons Technology Center. A total of {approx}150 gallons of NGS solvent was prepared in late November of 2011. Details for the work are contained in a controlled laboratory notebook. Analysis of the Parsons NGS solvent indicates that the material is acceptable for use. SRNL is continuing to improve the analytical method for the guanidine.

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