This report demonstrates the execution of our LDRD program within the objectives and guidelines outlined by the Department of Energy (DOE) through the DOE Order 413.2b. The projects described within the report align purposefully with SRNL’s strategic vision and provide great value to the DOE. The diversity exhibited in the research and development projects underscores the DOE Office of Environmental Management (DOE-EM) mission and enhances that mission by developing the technical capabilities and human capital necessary to support future DOE-EM national needs. As a multiprogram national laboratory, SRNL is applying those capabilities to achieve tangible results for the nation in National Security, Environmental Stewardship, Clean Energy and Nuclear Materials Management.

The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and academic institutions that is developing and deploying state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technologies from discovery to development, demonstration, and ultimately the widespread deployment to hundreds of power plants. The CCSI Toolset will provide end users in industry with a comprehensive, integrated suite of scientifically validated models, with uncertainty quantification (UQ), optimization, risk analysis and decision making capabilities. The CCSI Toolset incorporates commercial and open-source software currently in use by industry and is also developing new software tools as necessary to fill technology gaps identified during execution of the project. Ultimately, the CCSI Toolset will (1) enable promising concepts to be more quickly identified through rapid computational screening of devices and processes; (2) reduce the time to design and troubleshoot new devices and processes; (3) quantify the technical risk in taking technology from laboratory-scale to commercial-scale; and (4) stabilize deployment costs more quickly by replacing some of the physical operational tests with virtual power plant simulations. CCSI is led by the National Energy Technology Laboratory (NETL) and leverages the Department of Energy (DOE) national laboratories’ core strengths in modeling …

Yee Soong, Technical Coordinator, George Guthrie, Focus Area Lead, UFER Annual Report, NETL-TRS-UFER-2013, NETL Technical Report Series, U.S. Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA, 2013, p 14.

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The mobile PV/generator hybrid system deployed at Bechler Meadows provides a number of advantages. It reduces on-site air emissions from the generator. Batteries allow the generator to operate only at its rated power, reducing run-time and fuel consumption. Energy provided by the solar array reduces fuel consumption and run-time of the generator. The generator is off for most hours providing peace and quiet at the site. Maintenance trips from Mammoth Hot Springs to the remote site are reduced. The frequency of intrusive fuel deliveries to the pristine site is reduced. And the system gives rangers a chance to interpret Green Park values to the visiting public. As an added bonus, the system provides all these benefits at a lower cost than the basecase of using only a propane-fueled generator, reducing life cycle cost by about 26%.

This report describes Charmonium and Charmonium-Like States with BaBar.

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The outgassing rates of four nominally identical 304L stainless steel vacuum chambers were measured to determine the effect of chamber coatings and heat treatments. One chamber was coated with titanium nitride (TiN) and one with amorphous silicon (a-Si) immediately following fabrication. One chamber remained uncoated throughout, and the last chamber was first tested without any coating, and then coated with a-Si following a series of heat treatments. The outgassing rate of each chamber was measured at room temperatures between 15 and 30 deg C following bakes at temperatures between 90 and 400 deg C. Measurements for bare steel showed a significant reduction in the outgassing rate by more than a factor of 20 after a 400 deg C heat treatment (3.5 x 10{sup 12} TorrL s{sup -1}cm{sup -2} prior to heat treatment, reduced to 1.7 x 10{ sup -13} TorrL s{sup -1}cm{sup -2} following heat treatment). The chambers that were coated with a-Si showed minimal change in outgassing rates with heat treatment, though an outgassing rate reduced by heat treatments prior to a-Si coating was successfully preserved throughout a series of bakes. The TiN coated chamber exhibited remarkably low outgassing rates, up to four orders of magnitude lower than the …

This report describes results of experiments that were conducted in an unoccupied 1600 square foot house--the Manufactured Housing (MH Lab) at the Florida Solar Energy Center (FSEC)--to evaluate the delivered performance as well as the relative performance of a SEER 21 variable capacity heat pump versus a SEER 13 heat pump. The performance was evaluated with two different duct systems: a standard attic duct system and an indoor duct system located in a dropped-ceiling space.

This document summarizes the status of tank T-111 as of January 1, 2014 and estimates a leak rate and post-1994 leak volume for the tank.

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Report on a study to develop radiation sources for extreme ultraviolet lithography (EUVL) by using a free-electron laser (FEL) with a short-period undulator and a relatively small beam energy.

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 proposal is concerned with applications of Monte Carlo to problems in physics and chemistry where rare events degrade the performance of standard Monte Carlo. One class of problems is concerned with computation of various aspects of the equilibrium behavior of some Markov process via time averages. The problem to be overcome is that rare events interfere with the efficient sampling of all relevant parts of phase space. A second class concerns sampling transitions between two or more stable attractors. Here, rare events do not interfere with the sampling of all relevant parts of phase space, but make Monte Carlo inefficient because of the very large number of samples required to obtain variance comparable to the quantity estimated. The project uses large deviation methods for the mathematical analyses of various Monte Carlo techniques, and in particular for algorithmic analysis and design. This is done in the context of relevant application areas, mainly from chemistry and biology.

The emergence of new classes of HPC systems where performance improvement is enabled by Moore’s Law for technology is manifest through multi-core-based architectures including specialized GPU structures. Operating systems were originally designed for control of uniprocessor systems. By the 1980s multiprogramming, virtual memory, and network interconnection were integral services incorporated as part of most modern computers. HPC operating systems were primarily derivatives of the Unix model with Linux dominating the Top-500 list. The use of Linux for commodity clusters was first pioneered by the NASA Beowulf Project. However, the rapid increase in number of cores to achieve performance gain through technology advances has exposed the limitations of POSIX general-purpose operating systems in scaling and efficiency. This project was undertaken through the leadership of Sandia National Laboratories and in partnership of the University of New Mexico to investigate the alternative of composable lightweight kernels on scalable HPC architectures to achieve superior performance for a wide range of applications. The use of composable operating systems is intended to provide a minimalist set of services specifically required by a given application to preclude overheads and operational uncertainties (“OS noise”) that have been demonstrated to degrade efficiency and operational consistency. This project was undertaken …

In its deployment as a pebble bed reactor (PBR) critical facility from 1992 to 1996, the PROTEUS facility was designated as HTR-PROTEUS. This experimental program was performed as part of an International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on the Validation of Safety Related Physics Calculations for Low Enriched HTGRs. Within this project, critical experiments were conducted for graphite moderated LEU systems to determine core reactivity, flux and power profiles, reaction-rate ratios, the worth of control rods, both in-core and reflector based, the worth of burnable poisons, kinetic parameters, and the effects of moisture ingress on these parameters. One benchmark experiment was evaluated in this report: Core 4. Core 4 represents the only configuration with random pebble packing in the HTR-PROTEUS series of experiments, and has a moderator-to-fuel pebble ratio of 1:1. Three random configurations were performed. The initial configuration, Core 4.1, was rejected because the method for pebble loading, separate delivery tubes for the moderator and fuel pebbles, may not have been completely random; this core loading was rejected by the experimenters. Cores 4.2 and 4.3 were loaded using a single delivery tube, eliminating the possibility for systematic ordering effects. The second and third cores differed slightly …

PROTEUS is a zero-power research reactor based on a cylindrical graphite annulus with a central cylindrical cavity. The graphite annulus remains basically the same for all experimental programs, but the contents of the central cavity are changed according to the type of reactor being investigated. Through most of its service history, PROTEUS has represented light-water reactors, but from 1992 to 1996 PROTEUS was configured as a pebble-bed reactor (PBR) critical facility and designated as HTR-PROTEUS. The nomenclature was used to indicate that this series consisted of High Temperature Reactor experiments performed in the PROTEUS assembly. During this period, seventeen critical configurations were assembled and various reactor physics experiments were conducted. These experiments included measurements of criticality, differential and integral control rod and safety rod worths, kinetics, reaction rates, water ingress effects, and small sample reactivity effects (Ref. 3). HTR-PROTEUS was constructed, and the experimental program was conducted, for the purpose of providing experimental benchmark data for assessment of reactor physics computer codes. Considerable effort was devoted to benchmark calculations as a part of the HTR-PROTEUS program. References 1 and 2 provide detailed data for use in constructing models for codes to be assessed. Reference 3 is a comprehensive summary of …

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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.