We compare force fields (FF's) that have been used in molecular dynamic (MD) simulations of silica in order to assess their applicability for use in simulating IR-laser damage mitigation. Although pairwise FF?s obtained by fitting quantum mechanical calculations such as the BKS and CHIK potentials have been shown to reproduce many of the properties of silica including the stability of silica polymorphs and the densification of the liquid, we show that melting temperatures and fictive temperatures are much too high. Softer empirical force fields give liquid and glass properties at experimental temperatures but may not predict all properties important to laser mitigation experiments.

This report summarizes the seismic deployment of Lawrence Livermore National Laboratory (LLNL) Geotech GS-13 short-period seismometers at the Newberry Enhanced Geothermal System (EGS) Demonstration site located in Central Oregon. This Department of Energy (DOE) demonstration project is managed by AltaRock Energy Inc. AltaRock Energy had previously deployed Geospace GS-11D geophones at the Newberry EGS Demonstration site, however the quality of the seismic data was somewhat low. The purpose of the LLNL deployment was to install more sensitive sensors which would record higher quality seismic data for use in future seismic studies, such as ambient noise correlation, matched field processing earthquake detection studies, and general EGS microearthquake studies. For the LLNL deployment, seven three-component seismic stations were installed around the proposed AltaRock Energy stimulation well. The LLNL seismic sensors were connected to AltaRock Energy Gueralp CMG-DM24 digitizers, which are powered by AltaRock Energy solar panels and batteries. The deployment took four days in two phases. In phase I, the sites were identified, a cavity approximately 3 feet deep was dug and a flat concrete pad oriented to true North was made for each site. In phase II, we installed three single component GS-13 seismometers at each site, quality controlled the data …

As part of our past research and development work, we have created and developed the LISE++ simulation code [Tar04, Tar08]. The LISE++ package was significantly extended with the addition of a Monte Carlo option that includes an option for calculating ion trajectories using a Taylor-series expansion up to fifth order, and implementation of the MOTER Monte Carlo code [Kow87] for ray tracing of the ions into the suite of LISE++ codes. The MOTER code was rewritten from FORTRAN into C++ and transported to the MS-Windows operating system. Extensive work went into the creation of a user-friendly interface for the code. An example of the graphical user interface created for the MOTER code is shown in the left panel of Figure 1 and the results of a typical calculation for the trajectories of particles that pass through the A1900 fragment separator are shown in the right panel. The MOTER code is presently included as part of the LISE++ package for downloading without restriction by the worldwide community. The LISE++ was extensively developed and generalized to apply to any projectile fragment separator during the early phase of this grant. In addition to the inclusion of the MOTER code, other important additions to …

As the National Ignition Facility continues its campaign to achieve ignition, new methods and tools will be required to measure the quality of the targets used to achieve this goal. Techniques have been developed to measure target surface features using a phase-shifting diffraction interferometer and Leica Microsystems confocal microscope. Using these techniques we are able to produce a detailed view of the shell surface, which in turn allows us to refine target manufacturing and cleaning processes. However, the volume of data produced limits the methods by which this data can be effectively viewed by a user. This paper introduces an image-based visualization system for data exploration of target shells at the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory. It aims to combine multiple image sets into a single visualization to provide a method of navigating the data in ways that are not possible with existing tools.

The Forest County Potawatomi Community (FCPC or Tribe) owns a six-story parking facility adjacent to its Potawatomi Bingo Casino (the Casino) in Milwaukee, Wisconsin, as well as a valet parking facility under the Casino (collectively, the Parking Facility). The Parking Facility contained 205-watt metal halide-type lights that, for security reasons, operated 24 hours per day, 7 days per week. Starting on August 30, 2010, the Tribe replaced these fixtures with 1,760 state-of-the-art, energy efficient 55-Watt LED lights. This project resulted in an immediate average reduction in monthly peak demand of 238 kW over the fourth quarter of 2010. The average reduction in monthly peak demand from October 1 through December 31, 2010 translates into a forecast annual electrical energy reduction of approximately 1,995,000 kWh or 47.3% of the pre-project demand. This project was technically effective, economically feasible, and beneficial to the public not only in terms of long term energy efficiency and associated emissions reductions, but also in the short-term jobs provided for the S.E. Wisconsin region. The project was implemented, from approval by U.S. Department of Energy (DOE) to completion, in less than 6 months. The project utilized off-the-shelf proven technologies that were fabricated locally and installed by local …

This slide show is about data analysis for photonic Doppler velocimetry.

The NA-42 TI program initiated an effort in FY2010 to standardize its software development efforts with the long term goal of migrating toward a software management approach that will allow for the sharing and reuse of code developed within the TI program, improve integration, ensure a level of software documentation, and reduce development costs. The Pacific Northwest National Laboratory (PNNL) has been tasked with two activities that support this mission. PNNL has been tasked with the identification, selection, and implementation of a Shared Software Component Library. The intent of the library is to provide a common repository that is accessible by all authorized NA-42 software development teams. The repository facilitates software reuse through a searchable and easy to use web based interface. As software is submitted to the repository, the component registration process captures meta-data and provides version control for compiled libraries, documentation, and source code. This meta-data is then available for retrieval and review as part of library search results. In FY2010, PNNL and staff from the Remote Sensing Laboratory (RSL) teamed up to develop a software application with the goal of replacing the aging Aerial Measuring System (AMS). The application under development includes an Advanced Visualization and Integration …

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Guiding center simulations are routinely used for the discovery of mode-particle resonances in tokamaks, for both resistive and ideal instabilities and to find modifications of particle distributions caused by a given spectrum of modes, including large scale avalanches during events with a number of large amplitude modes. One of the most fundamental properties of ideal magnetohydrodynamics is the condition that plasma motion cannot change magnetic topology. The conventional representation of ideal magnetohydrodynamic modes by perturbing a toroidal equilibrium field through δ~B = ∇ X (ξ X B) however perturbs the magnetic topology, introducing extraneous magnetic islands in the field. A proper treatment of an ideal perturbation involves a full Lagrangian displacement of the field due to the perturbation and conserves magnetic topology as it should. In order to examine the effect of ideal magnetohydrodynamic modes on particle trajectories the guiding center equations should include a correct Lagrangian treatment. Guiding center equations for an ideal displacement ξ are derived which perserve the magnetic topology and are used to examine mode particle resonances in toroidal confinement devices. These simulations are compared to others which are identical in all respects except that they use the linear representation for the field. Unlike the case …

With DOE Award No. DE-EE00000628, QD Vision developed and demonstrated a cost-competitive solution for increasing the light extraction efficiency of OLEDs with efficient and stable color rendering index (CRI) for solid state lighting (SSL). Solution processable quantum dot (QD) films were integrated into OLED ITO-glass substrates to generate tunable white emission from blue emitting OLED) devices as well as outcouple light from the ITO film. This QD light-enhancement substrate (QD-LED) technology demonstrated a 60% increase in OLED forward light out-coupling, a value which increases to 76% when considering total increase in multi-directional light output. The objective for the first year was an 80% increase in light output. This project seeks to develop and demonstrate a cost-competitive solution for realizing increased extraction efficiency organic light emitting devices (OLEDs) with efficient and stable color rendering index (CRI) for SSL. Solution processible quantum dot (QD) films will be utilized to generate tunable white emission from blue emitting phosphorescent OLED (Ph-OLED) devices.

Manual library construction is a limiting factor in Illumina sequencing. Constructing libraries by hand is costly, time-consuming, low-throughput, and ergonomically hazardous, and constructing multiple libraries introduces risk of library failure due to pipetting errors. The ability to construct multiple libraries simultaneously in automated fashion represents significant cost and time savings. Here we present a strategy to construct up to 96 unamplified indexed libraries using Illumina TruSeq reagents and a Biomek FX robotic platform. We also present data to indicate that this library construction method has little or no risk of cross-contamination between samples.

The reaction of Cp'2CeH (Cp' = 1,2,4-(Me3C)3C5H2 ) with MeOSiMe3 gives Cp'2CeOMe and HSiMe3 and the reaction of the metallacycle, Cp'[(Me3C)2C5H2C(Me) 2CH2]Ce, with MeOSiMe3 yields Cp'2CeOCH2SiMe3, formed from hypothetical Cp'2CeCH2OSiMe3 by a [1, 2] shift also known as a silyl-Wittig rearrangement. Although both cerium products are alkoxides, they are formed by different pathways. DFT calculations on the reaction of the model metallocene, Cp2CeH, and MeOSiMe3 show that the lowest energy pathway is a H for OMe exchange at Ce that occurs by way of a sigma-bond metathesis transition state as SiMe3 exchanges partners. The formation of Cp2CeOCH2SiMe3 occurs by way of a low activation barrier [1, 2]shift of the SiMe3 group in Cp2CeCH2OSiMe3. Calculations on a model metallacycle, Cp[C5H4C(Me)2CH2]Ce, show that the metallacycle favors CH bond activation over sigma-bond metathesis involving the transfer of the SiMe3 group in good agreement with experiment. The sigma-bond metathesis involving the transfer of SiMe3 and the [1, 2]shift of SiMe3 reactions have in common a pentacoordinate silicon at the transition states. A molecular orbital analysis illustrates the connection between these two Si-O bond cleavage reactions and traces the reason why they occur for a silyl but not for an alkyl group to the difference …

Previous studies have found that organic acids, organic bases, and detergent-like chemicals change surface wettability. The wastewater and NAPL mixtures discharged at the Hanford site contain such chemicals, and their proportions likely change over time due to reaction-facilitated aging. The specific objectives of this work were to (1) determine the effect of organic chemical mixtures on surface wettability, (2) determine the effect of organic chemical mixtures on CCl4 volatilization rates from NAPL, and (3) accurately determine the migration, entrapment, and volatilization of organic chemical mixtures. Five tasks were proposed to achieve the project objectives. These are to (1) prepare representative batches of fresh and aged NAPL-wastewater mixtures, (2) to measure interfacial tension, contact angle, and capillary pressure-saturation profiles for the same mixtures, (3) to measure interphase mass transfer rates for the same mixtures using micromodels, (4) to measure multiphase flow and interphase mass transfer in large flow cell experiments, all using the same mixtures, and (5) to modify the multiphase flow simulator STOMP in order to account for updated P-S and interphase mass transfer relationships, and to simulate the impact of CCl4 in the vadose zone on groundwater contamination. Results and findings from these tasks and summarized in the attached …

Ta collimator sets that were part of the gated x-ray detector diagnostic (GXD) at NIF were analyzed for debris distribution and damage in 2011. These disks (ranging in thickness from 250 to 750 {mu}m) were fielded approximately 10 cm from target chamber center (TCC) on various symcap, THD and re-emit shots. The nose cone holder and forward Ta collimator (facing target chamber center, TCC) from all shots show evidence of surface melt. Non-destructive analysis techniques such as optical microscopy, surface profilometry, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and x-ray fluorescence (XRF) were used to determine debris composition and degree of deformation associated with each Ta disk. Molten debris from the stainless steel nose cone contaminated the surface of the collimators along with other debris associated with the target assembly (Al, Si, Cu, Au and In). Surface elemental analysis of the forward collimator Ta disks indicates that Au hohlraum debris is less concentrated on these samples versus those fielded 50 cm from TCC in the wedge range filter (WRF) assembly. It is possible that the Au is distributed below or within the stainless steel melt layer covering the disk, as most of the foreign debris is captured in the …

The research conducted in this work package is aimed at taking advantage of the long term thermodynamic stability of crystalline ceramics to create more durable waste forms (as compared to high level waste glass) in order to reduce the reliance on engineered and natural barrier systems. Durable ceramic waste forms that incorporate a wide range of radionuclides have the potential to broaden the available disposal options and to lower the storage and disposal costs associated with advanced fuel cycles. Assemblages of several titanate phases have been successfully demonstrated to incorporate radioactive waste elements, and the multiphase nature of these materials allows them to accommodate variation in the waste composition. Recent work has shown that they can be successfully produced from a melting and crystallization process. The objective of this report is to summarize the data collection in support of future melter demonstration testing for crystalline ceramic waste forms. The waste stream used as the basis for the development and testing is a combination of the projected Cs/Sr separated stream, the Trivalent Actinide - Lanthanide Separation by Phosphorous reagent Extraction from Aqueous Komplexes (TALSPEAK) waste stream consisting of lanthanide fission products, the transition metal fission product waste stream resulting from the …

This project entails retrofitting all four foot, 2, 3 and 4 bulb 40 watt T12 fixtures to T8 28 watt and 150 watt incandescent to 26 watt compact fluorescent bulbs. In total, 2,086 fixtures will be retrofitted

We discuss the calculation of open heavy flavor cross sections at RHIC and describe how the semileptonic decays of charm and bottom quarks can be separated.

This report summarizes the work performed to evaluate multiple, cesium loading, and elution cycles for small columns containing SRF resin using a simple, high-level waste (HLW) simulant. Cesium ion exchange loading and elution curves were generated for a nominal 5 M Na, 2.4E-05 M Cs, 0.115 M Al loading solution traced with 134Cs followed by elution with variable HNO3 (0.02, 0.07, 0.15, 0.23, and 0.28 M) containing variable CsNO3 (5.0E-09, 5.0E-08, and 5.0E-07 M) and traced with 137Cs. The ion exchange system consisted of a pump, tubing, process solutions, and a single, small ({approx}15.7 mL) bed of SRF resin with a water-jacketed column for temperature-control. The columns were loaded with approximately 250 bed volumes (BVs) of feed solution at 45 C and at 1.5 to 12 BV per hour (0.15 to 1.2 cm/min). The columns were then eluted with 29+ BVs of HNO3 processed at 25 C and at 1.4 BV/h. The two independent tracers allowed analysis of the on-column cesium interaction between the loading and elution solutions. The objective of these tests was to improve the correlation between the spent resin cesium content and cesium leached out of the resin in subsequent loading cycles (cesium leakage) to help establish …

A suite of diagnostics are being proposed for use in the Juliet experiment (IER-128). In order to calibrate and test the diagnostics prior to use, the LLNL calibration facility and Godiva pulsed reactor will be used to provide intense sources of neutrons and gammas. Due to the similarities of the Godiva and Juliet radiation fields, the diagnostics being developed and tested for Juliet can also play an on-going role in diagnostics for Godiva as well as, perhaps, other critical assembly experiments. Similar work is also being conducted for IER-147 for the purpose of characterizing the Godiva radiation field in support of an upcoming international nuclear accident dosimetry exercise. Diagnostics developed and fielded under IER-147 can provide valuable data with respect to the neutron and gamma energy spectrums in the vicinity of Godiva which is relevant to the calibration of Juliet diagnostics.

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Two patches of Columbian yellowcress on the Hanford Reach were visited in both 2011 and 2012 to compare ramet counts between years: near Allerd Pumphouse (Rkm 615.4) and near White Bluffs Boat Launch (Rkm 593.3) (Figure 3). In 2012, the population near Allerd Pumphouse had 45 ramets present within a 5x3 m area. At the same population in 2011, there were 60 ramets. In 2012, the population near White Bluffs Boat Launch had 105 ramets in a 2x2 m area. At the same population in 2011, there were 100 ramets. This data shows that while annual variability does exist, ramet counts were relatively similar from 2011 to 2012. This is likely due to the similar flow regimes of 2011 and 2012, which both had above average snowpack, high flows, and extended spring flooding seasons. A total of 19.6 miles (31.5 km) of the Hanford shoreline were surveyed in 2012, with ten patches identified and approximately 1,250 ramets counted. It is not known how many individual plants this count represents due to the rhizomatous nature of the species. Two of these sites were identified previously in the WNHP database, and the remaining eight were newly identified locations. Eleven of the ramets …

In this paper we discuss detection prospects by combining two different aspects of the gamma-ray signal: the angular distribution and the photon counts probability distribution function (PDF).

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Dynalene Inc has developed and patented a fuel cell coolant with the help of DOE SBIR Phase I and Phase II funding (Project DE-FG02-04ER83884). However, this coolant could only be produced in lab scale (500 ml to 2 L) due to problems in the optimization and scale-up of a nanoparticle ingredient. This project optimized the nanoparticle production process in 10 L and 100 L reactors (which translates to about 5000 gallons of coolant), optimized the filtration process for the nanoparticles, and develop a high throughput production as well as quality control method for the final coolant formulation. Scale-up of nanoparticle synthesis (using emulsion polymerization) is an extremely challenging task. Dynalene researchers, in collaboration with a university partner, identified all the parameters affecting the size, charge density and coagulation characteristics of the nanoparticles and then optimized these parameters to achieve the goals and the objectives of this project. Nanoparticle synthesis was demonstrated to be reproducible in the 10 L and 100 L scales.