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

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.

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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.

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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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.

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.

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 …

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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 …

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An atmospheric explosion of a low-yield nuclear device will produce a large number of radioactive isotopes, some of which can be measured with airborne detection systems. However, properly equipped aircraft may not arrive in the region where an explosion occurred for a number of hours after the event. Atmospheric conditions will have caused the radioactive plume to move and diffuse before the aircraft arrives. The science behind predicting atmospheric plume movement has advanced enough that the location of the maximum concentrations in the plume can be determined reasonably accurately in real time, or near real time. Given the assumption that an aircraft can follow a plume, this study addresses the amount of atmospheric dilution expected to occur in a representative plume as a function of time past the release event. The approach models atmospheric transport of hypothetical releases from a single location for every day in a year using the publically available HYSPLIT code. The effective dilution factors for the point of maximum concentration in an elevated plume based on a release of a non-decaying, non-depositing tracer can vary by orders of magnitude depending on the day of the release, even for the same number of hours after the release …

This report summarizes the results of the extraction, scrub, and strip testing for the September 2013 sampling of the Next Generation Solvent (NGS) Blended solvent from the Modular Caustic Side-Solvent Extraction Unit (MCU) Solvent Hold Tank. MCU is in the process of transitioning from the BOBCalixC6 solvent to the NGS Blend solvent. As part of that transition, MCU has intentionally created a blended solvent to be processed using the Salt Batch program. This sample represents the first sample received from that blended solvent. There were two ESS tests performed where NGS blended solvent performance was assessed using either the Tank 21 material utilized in the Salt Batch 7 analyses or a simulant waste material used in the V-5/V-10 contactor testing. This report tabulates the temperature corrected cesium distribution, or DCs values, step recovery percentage, and actual temperatures recorded during the experiment. This report also identifies the sample receipt date, preparation method, and analysis performed in the accumulation of the listed values. The calculated extraction DCs values using the Tank 21H material and simulant are 59.4 and 53.8, respectively. The DCs values for two scrub and three strip processes for the Tank 21 material are 4.58, 2.91, 0.00184, 0.0252, and 0.00575, …