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The Implementation Of Solid State Switches In A Parallel Configuration To Gain Output Current Capacity In A High Current Capacitive Discharge Unit (CDU)

Chaves, Mario P.

For my project I have selected to research and design a high current pulse system, which will be externally triggered from a 5V pulse. The research will be conducted in the region of paralleling the solid state switches for a higher current output, as well as to see if there will be any other advantages in doing so. The end use of the paralleled solid state switches will be used on a Capacitive Discharge Unit (CDU). For the first part of my project, I have set my focus on the design of the circuit, selection of components, and simulation of the circuit.

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2016 Annual Site Environmental Report Sandia National Laboratories/New Mexico

Salas, Angela M.; Griffith, Stacy

Sandia National Laboratories (SNL) is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s (DOE’s), National Nuclear Security Administration (NNSA). The DOE/NNSA Sandia Field Office administers the contract and oversees contractor operations at SNL, New Mexico. This Annual Site Environmental Report (ASER) summarizes data and the compliance status of sustainability, environmental protection, and monitoring programs at SNL/NM during calendar year 2016. Major environmental programs include air quality, water quality, groundwater protection, terrestrial and ecological surveillance, waste management, pollution prevention, environmental restoration, oil and chemical spill prevention, and implementation of the National Environmental Policy Act. This ASER is prepared in accordance with and required by DOE O 231.1B, Admin Change 1, Environment, Safety, and Health Reporting.

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2016 Annual Site Environmental report Sandia National Laboratories Tonopah Test Range Nevada & Kaua'i Test Facility Hawai'i

Salas, Angela M.; Griffith, Stacy

Sandia National Laboratories (SNL) is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s (DOE’s), National Nuclear Security Administration (NNSA) under contract DE-NA0003525. The DOE/NNSA Sandia Field Office administers the contract and oversees contractor operations at the SNL, Tonopah Test Range (SNL/TTR) in Nevada and the SNL, Kaua‘i Test Facility (SNL/KTF) in Hawai‘i. SNL personnel manage and conduct operations at SNL/TTR in support of the DOE/NNSA’s Weapons Ordnance Program and have operated the site since 1957. Navarro Research and Engineering personnel perform most of the environmental programs activities at SNL/TTR. The DOE/NNSA/Nevada Field Office retains responsibility for cleanup and management of SNL/TTR Environmental Restoration sites. SNL personnel operate SNL/KTF as a rocket preparation launching and tracking facility. This Annual Site Environmental Report (ASER) summarizes data and the compliance status of sustainability, environmental protection, and monitoring programs at SNL/TTR and SNL/KTF during calendar year 2016. Major environmental programs include air quality, water quality, groundwater protection, terrestrial and biological surveillance, waste management, pollution prevention, environmental restoration, oil and chemical spill prevention, and implementation of the National Environmental Policy Act. This ASER is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety, and Health Reporting.

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Probability of Detection Study to Assess the Performance of Nondestructive Inspection Methods for Wind Turbine Blades

Roach, Dennis P.; Rice, Thomas M.; Paquette, Joshua A.

Wind turbine blades pose a unique set of inspection challenges that span from very thick and attentive spar cap structures to porous bond lines, varying core material and a multitude of manufacturing defects of interest. The need for viable, accurate nondestructive inspection (NDI) technology becomes more important as the cost per blade, and lost revenue from downtime, grows. NDI methods must not only be able to contend with the challenges associated with inspecting extremely thick composite laminates and subsurface bond lines, but must also address new inspection requirements stemming from the growing understanding of blade structural aging phenomena. Under its Blade Reliability Collaborative program, Sandia Labs quantitatively assessed the performance of a wide range of NDI methods that are candidates for wind blade inspections. Custom wind turbine blade test specimens, containing engineered defects, were used to determine critical aspects of NDI performance including sensitivity, accuracy, repeatability, speed of inspection coverage, and ease of equipment deployment. The detection of fabrication defects helps enhance plant reliability and increase blade life while improved inspection of operating blades can result in efficient blade maintenance, facilitate repairs before critical damage levels are reached and minimize turbine downtime. The Sandia Wind Blade Flaw Detection Experiment was completed to evaluate different NDI methods that have demonstrated promise for interrogating wind blades for manufacturing flaws or in-service damage. These tests provided the Probability of Detection information needed to generate industry-wide performance curves that quantify: 1) how well current inspection techniques are able to reliably find flaws in wind turbine blades (industry baseline) and 2) the degree of improvements possible through integrating more advanced NDI techniques and procedures. _____________ S a n d i a N a t i o n a l L a b o r a t o r i e s i s a m u l t i m i s s i o n l a b o r a t o r y m a n a g e d a n d o p e r a t e d b y N a t i o n a l T e c h n o l o g y a n d E n g i n e e r i n g S o l u t i o n s o f S a n d i a , L L C , a w h o l l y o w n e d s u b s i d i a r y o f H o n e y w e l l I n t e r n a t i o n a l , I n c . , f o r t h e U . S . D e p a r t m e n t o f E n e r g y ' s N a t i o n a l N u c l e a r S e c u r i t y A d m i n i s t r a t i o n u n d e r c o n t r a c t D E - N A 0 0 0 3 5 2 5 .

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Sandia QIS Capabilities

Muller, Richard P.

Sandia National Laboratories has developed a broad set of capabilities in quantum information science (QIS), including elements of quantum computing, quantum communications, and quantum sensing. The Sandia QIS program is built atop unique DOE investments at the laboratories, including the MESA microelectronics fabrication facility, the Center for Integrated Nanotechnologies (CINT) facilities (joint with LANL), the Ion Beam Laboratory, and ASC High Performance Computing (HPC) facilities. Sandia has invested $75 M of LDRD funding over 12 years to develop unique, differentiating capabilities that leverage these DOE infrastructure investments.

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Ultra-Low Noise Germanium Neutrino Detection system (ULGeN)

Cabrera-Palmer, B.; Barton, Paul

Monitoring nuclear power plant operation by measuring the antineutrino flux has become an active research field for safeguards and non-proliferation. We describe various efforts to demonstrate the feasibility of reactor monitoring based on the detection of the Coherent Neutrino Nucleus Scattering (CNNS) process with High Purity Germanium (HPGe) technology. CNNS detection for reactor antineutrino energies requires lowering the electronic noise in low-capacitance kg-scale HPGe detectors below 100 eV as well as stringent reduction in other particle backgrounds. Existing state- of-the-art detectors are limited to an electronic noise of 95 eV-FWHM. In this work, we employed an ultra-low capacitance point-contact detector with a commercial integrated circuit preamplifier- on-a-chip in an ultra-low vibration mechanically cooled cryostat to achieve an electronic noise of 39 eV-FWHM at 43 K. We also present the results of a background measurement campaign at the Spallation Neutron Source to select the area with sufficient low background to allow a successful first-time measurement of the CNNS process.

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Environmental Baseline Survey for Installation of Five New Hydrogeologic Groundwater Monitoring Wells

Catechis, Christopher S.

This Phase I Environmental Baseline Survey (EBS) provides the findings of a survey and assessment for termination of an existing easement granted to the Department of Energy (DOE) for the installation of 5 new hydrogeologic groundwater monitoring wells located on KAFB, New Mexico. The purpose of this EBS is to: Document the nature, magnitude, and extent of any environmental contamination of the property. Identify potential environmental contamination liabilities associated with the property. Develop sufficient information to assess the health and safety risks. Ensure adequate protection for human health and the environment related to a specific property. Determine possible effects of contamination on property valuation, and serve as the basis for notice of environmental condition for applicable federal or local real property disclosure requirements.

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Quality Assurance Program Description

Halford, Vaughn E.; Ryder, Ann M.

Effective May 1, 2017, led by a new executive leadership team, Sandia began operating within a new organizational structure. National Technology and Engineering Solutions of Sandia (Sandia’s) Quality Assurance Program (QAP) was established to assign responsibilities and authorities, define workflow policies and requirements, and provide for the performance and assessment of work.

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Public Preferences Related to Radioactive Waste Management in the United States: Methodology and Response Reference Report for the 2016 Energy and Environment Survey

Jenkins-Smith, Hank C.; Silva, Carol L.; Gupta, Kuhika; Rechard, Robert P.

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A Generalized Framework for Modeling Next Generation 911 Implementations

Kelic, Andjelka; Aamir, Munaf S.; Jrad, Ahmad M.; Mitchell, Roger

This document summarizes the current state of Sandia 911 modeling capabilities and then addresses key aspects of Next Generation 911 (NG911) architectures for expansion of existing models. Analysis of three NG911 implementations was used to inform heuristics ,associated key data requirements, and assumptions needed to capture NG911 architectures in the existing models. Modeling of NG911 necessitates careful consideration of its complexity and the diversity of implementations. Draft heuristics for constructing NG911 models are pres ented based on the analysis along with a summary of current challenges and ways to improve future NG911 modeling efforts. We found that NG911 relies on E nhanced 911 (E911) assets such as 911 selective routers to route calls originating from traditional tel ephony service which are a majority of 911 calls. We also found that the diversity and transitional nature of NG911 implementations necessitates significant and frequent data collection to ensure that adequate model s are available for crisis action support.

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Radar Doppler Processing with Nonuniform Sampling

Doerry, Armin W.

Conventional signal processing to estimate radar Doppler frequency often assumes uniform pulse/sample spacing. This is for the convenience of t he processing. More recent performance enhancements in processor capability allow optimally processing nonuniform pulse/sample spacing, thereby overcoming some of the baggage that attends uniform sampling, such as Doppler ambiguity and SNR losses due to sidelobe control measures.

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A Lagrangian particle method with remeshing for tracer transport on the sphere

Journal of Computational Physics

Bosler, Peter A.; Kent, James; Krasny, Robert; Jablonowski, Christiane

A Lagrangian particle method (called LPM) based on the flow map is presented for tracer transport on the sphere. The particles carry tracer values and are located at the centers and vertices of triangular Lagrangian panels. Remeshing is applied to control particle disorder and two schemes are compared, one using direct tracer interpolation and another using inverse flow map interpolation with sampling of the initial tracer density. Test cases include a moving-vortices flow and reversing-deformational flow with both zero and nonzero divergence, as well as smooth and discontinuous tracers. We examine the accuracy of the computed tracer density and tracer integral, and preservation of nonlinear correlation in a pair of tracers. We compare results obtained using LPM and the Lin–Rood finite-volume scheme. An adaptive particle/panel refinement scheme is demonstrated.

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Selecting an informative/discriminating multivariate response for inverse prediction

Journal of Quality Technology

Thomas, Edward V.; Lewis, John R.

inverse prediction is important in a variety of scientific and engineering applications, such as to predict properties/characteristics of an object by using multiple measurements obtained from it. Inverse prediction can be accomplished by inverting parameterized forward models that relate the measurements (responses) to the properties/characteristics of interest. Sometimes forward models are computational/science based; but often, forward models are empirically based response surface models, obtained by using the results of controlled experimentation. For empirical models, it is important that the experiments provide a sound basis to develop accurate forward models in terms of the properties/characteristics (factors). While nature dictates the causal relationships between factors and responses, experimenters can control the complexity, accuracy, and precision of forward models constructed via selection of factors, factor levels, and the set of trials that are performed. Recognition of the uncertainty in the estimated forward models leads to an errors-in-variables approach for inverse prediction. The forward models (estimated by experiments or science based) can also be used to analyze how well candidate responses complement one another for inverse prediction over the range of the factor space of interest. One may find that some responses are complementary, redundant, or noninformative. Simple analysis and examples illustrate how an informative and discriminating subset of responses could be selected among candidates in cases where the number of responses that can be acquired during inverse prediction is limited by difficulty, expense, and/or availability of material.

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A posteriori error estimation for multi-stage Runge–Kutta IMEX schemes

Applied Numerical Mathematics

Chaudhry, Jehanzeb H.; Collins, J.B.; Shadid, John N.

Implicit–Explicit (IMEX) schemes are widely used for time integration methods for approximating solutions to a large class of problems. In this work, we develop accurate a posteriori error estimates of a quantity-of-interest for approximations obtained from multi-stage IMEX schemes. This is done by first defining a finite element method that is nodally equivalent to an IMEX scheme, then using typical methods for adjoint-based error estimation. The use of a nodally equivalent finite element method allows a decomposition of the error into multiple components, each describing the effect of a different portion of the method on the total error in a quantity-of-interest.

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Single-View 3-D Reconstruction of Correlated Gamma-Neutron Sources

IEEE Transactions on Nuclear Science

Monterial, M.; Marleau, P.; Pozzi, Sara A.

We describe a new method of 3-D image reconstruction of neutron sources that emit correlated gammas (e.g., Cf-252, Am-Be). This category includes a vast majority of neutron sources important in nuclear threat search, safeguards and non-proliferation. Rather than requiring multiple views of the source this technique relies on the source's intrinsic property of coincidence gamma and neutron emission. As a result, only a single-view measurement of the source is required to perform the 3-D reconstruction. In principle, any scatter camera sensitive to gammas and neutrons with adequate timing and interaction location resolution can perform this reconstruction. Using a neutron double scatter technique, we can calculate a conical surface of possible source locations. By including the time to a correlated gamma we further constrain the source location in three-dimensions by solving for the source-to-detector distance along the surface of the cone. As a proof of concept we applied these reconstruction techniques on measurements taken with the Mobile Imager of Neutrons for Emergency Responders (MINER). Two Cf-252 sources measured at 50 and 60 cm from the center of the detector were resolved in their varying depth with average radial distance relative resolution of 26%. To demonstrate the technique's potential with an optimized system we simulated the measurement in MCNPX-PoliMi assuming timing resolution of 200 ps (from 2 ns in the current system) and source interaction location resolution of 5 mm (from 3 cm). These simulated improvements in scatter camera performance resulted in radial distance relative resolution decreasing to an average of 11%.

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Miniaturized magnet-less RF electron trap. II. Experimental verification

Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics

Deng, Shiyang; Green, Scott R.; Markosyan, Aram; Kushner, Mark J.; Gianchandani, Yogesh B.

Atomic microsystems have the potential of providing extremely accurate measurements of timing and acceleration. However, atomic microsystems require active maintenance of ultrahigh vacuum in order to have reasonable operating lifetimes and are particularly sensitive to magnetic fields that are used to trap electrons in traditional sputter ion pumps. This paper presents an approach to trapping electrons without the use of magnetic fields, using radio frequency (RF) fields established between two perforated electrodes. The challenges associated with this magnet-less approach, as well as the miniaturization of the structure, are addressed. These include, for example, the transfer of large voltage (100-200 V) RF power to capacitive loads presented by the structure. The electron trapping module (ETM) described here uses eight electrode elements to confine and measure electrons injected by an electron beam, within an active trap volume of 0.7 cm3. The operating RF frequency is 143.6 MHz, which is the measured series resonant frequency between the two RF electrodes. It was found experimentally that the steady state electrode potentials on electrodes near the trap became more negative after applying a range of RF power levels (up to 0.15 W through the ETM), indicating electron densities of ≈3 × 105cm-3 near the walls of the trap. The observed results align well with predicted electron densities from analytical and numerical models. The peak electron density within the trap is estimated as ∼1000 times the electron density in the electron beam as it exits the electron gun. This successful demonstration of the RF electron trapping concept addresses critical challenges in the development of miniaturized magnet-less ion pumps.

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Design and Implementation of a Wide-Area Damping Controller Using High Voltage DC Modulation and Synchrophasor Feedback

IFAC-PapersOnLine

Schoenwald, David A.; Pierre, Brian J.; Wilches-Bernal, Felipe; Trudnowski, Daniel J.

This paper describes the design strategy and testing results of a control system to improve damping of inter-area oscillations in the western North American Power System (wNAPS) in order to maintain dynamic stability of the grid. Extensive simulation studies and actual test results on the wNAPS demonstrate significant improvements in damping of inter-area oscillations of most concern without reducing damping of peripheral oscillations. The design strategy of the control system features three novel attributes: (1) The feedback law for the control system is constructed using real-time measurements acquired from Phasor Measurement Units (PMUs) located throughout the power grid. (2) Control actuation is delivered by the modulation of real power flow through a High Voltage Direct Current (HVDC) transmission line. (3) A supervisory system, integrated into the control system is in charge of determining damping effectiveness, maintaining failsafe operation, and ensuring that no harm is done to the grid.

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Characterization of the scintillation anisotropy in crystalline stilbene scintillator detectors

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Schuster, P.; Brubaker, E.

This paper reports a series of measurements that characterize the directional dependence of the scintillation response of crystalline melt-grown and solution-grown trans-stilbene to incident DT and DD neutrons. These measurements give the amplitude and pulse shape dependence on the proton recoil direction over one hemisphere of the crystal, confirming and extending previous results in the literature for melt-grown stilbene and providing the first measurements for solution-grown stilbene. In similar measurements of liquid and plastic detectors, no directional dependence was observed, confirming the hypothesis that the anisotropy in stilbene and other organic crystal scintillators is a result of internal effects due to the molecular or crystal structure and not an external effect on the measurement system.

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Corrosion properties of powder bed fusion additively manufactured 17-4 PH stainless steel

Corrosion

Schaller, Rebecca S.; Taylor, Jason M.; Rodelas, Jeffrey; Schindelholz, Eric

The corrosion susceptibility of a laser powder bed fusion (LPBF) additively manufactured alloy, UNS S17400 (17-4 PH), was explored compared to conventional wrought material. Microstructural characteristics were characterized and related to corrosion behavior in quiescent, aqueous 0.6 M NaCl solutions. Electrochemical measurements demonstrated that the LPBF 17-4 PH alloy exhibited a reduced passivity range and active corrosion compared to its conventional wrought counterpart. A microelectrochemical cell was used to further understand the effects of the local scale and attributed the reduced corrosion resistance of the LPBF material to pores with diameters ≥50 μm.

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Non-model-based damage identification of plates using principal, mean and Gaussian curvature mode shapes

Journal of Sound and Vibration

Xu, Yongfeng F.; Zhu, Weidong D.; Smith, Scott A.

Mode shapes (MSs) have been extensively used to identify structural damage. This paper presents a new non-model-based method that uses principal, mean and Gaussian curvature MSs (CMSs) to identify damage in plates; the method is applicable and robust to MSs associated with low and high elastic modes on dense and coarse measurement grids. A multi-scale discrete differential-geometry scheme is proposed to calculate principal, mean and Gaussian CMSs associated with a MS of a plate, which can alleviate adverse effects of measurement noise on calculating the CMSs. Principal, mean and Gaussian CMSs of a damaged plate and those of an undamaged one are used to yield four curvature damage indices (CDIs), including Maximum-CDIs, Minimum-CDIs, Mean-CDIs and Gaussian-CDIs. Damage can be identified near regions with consistently higher values of the CDIs. It is shown that a MS of an undamaged plate can be well approximated using a polynomial with a properly determined order that fits a MS of a damaged one, provided that the undamaged plate has a smooth geometry and is made of material that has no stiffness and mass discontinuities. New fitting and convergence indices are proposed to quantify the level of approximation of a MS from a polynomial fit to that of a damaged plate and to determine the proper order of the polynomial fit, respectively. A MS of an aluminum plate with damage in the form of a machined thickness reduction area was measured to experimentally investigate the effectiveness of the proposed CDIs in damage identification; the damage on the plate was successfully identified.

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Screening for High Conductivity/Low Viscosity Ionic Liquids Using Product Descriptors

Molecular Informatics

Martin, Shawn; Foulk, James W.; Anderson, Travis M.

We seek to optimize Ionic liquids (ILs) for application to redox flow batteries. As part of this effort, we have developed a computational method for suggesting ILs with high conductivity and low viscosity. Since ILs consist of cation-anion pairs, we consider a method for treating ILs as pairs using product descriptors for QSPRs, a concept borrowed from the prediction of protein-protein interactions in bioinformatics. We demonstrate the method by predicting electrical conductivity, viscosity, and melting point on a dataset taken from the ILThermo database on June 18th, 2014. The dataset consists of 4,329 measurements taken from 165 ILs made up of 72 cations and 34 anions. We benchmark our QSPRs on the known values in the dataset then extend our predictions to screen all 2,448 possible cation-anion pairs in the dataset.

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The kinetics of polyurethane structural foam formation: Foaming and polymerization

AIChE Journal

Rao, Rekha R.; Mondy, Lisa A.; Long, Kevin N.; Celina, Mathew C.; Roberts, Christine; Soehnel, Melissa; Wyatt, Nicholas B.; Brunini, Victor

Kinetic models have been developed to understand the manufacturing of polymeric foams, which evolve from low viscosity Newtonian liquids, to bubbly liquids, finally producing solid foam. Closed-form kinetics are formulated and parameterized for PMDI-10, a fast curing polyurethane, including polymerization and foaming. PMDI-10 is chemically blown, where water and isocyanate react to form carbon dioxide. The isocyanate reacts with polyol in a competing reaction, producing polymer. Our approach is unique, although it builds on our previous work and the polymerization literature. This kinetic model follows a simplified mathematical formalism that decouples foaming and curing, including an evolving glass transition temperature to represent vitrification. This approach is based on IR, DSC, and volume evolution data, where we observed that the isocyanate is always in excess and does not affect the kinetics. The kinetics are suitable for implementation into a computational fluid dynamics framework, which will be explored in subsequent articles. © 2017 American Institute of Chemical Engineers AIChE J, 63: 2945–2957, 2017.

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Statistical Analysis of a 1:7 Scale Field Test Wave Energy Converter Using WEC-Sim

IEEE Transactions on Sustainable Energy

So, Ratanak; Michelen, Carlos; Bosma, Bret; Lenee-Bluhm, Pukha; Brekken, Ted K.A.

This study uses the open-source wave energy converter simulator (WEC-Sim) code to model the Columbia Power Technologies SeaRay 1:7 scale WEC. WEC-Sim is intended to run quickly on standard desktop equipment and provide a very gentle learning curve for WEC modeling. This paper focuses on the linear implementation of WEC-Sim as that requires the least simulation time and is often the starting point for basic system design. WEC-Sim results are compared against the SeaRay experimental data. Two studies were conducted: A comparison of WEC-Sim predications versus experimental data across 285 trials of varying sea states to determine the overall average power and energy production; and a determination of WEC-Sim's accuracy in predicting the experimental ranges of position, speed, torque, and power. The study of average power production across many sea states shows that the WEC-Sim predicts the average power of the aft float well, within 15%, but the error in the fore float is larger at 34%. The error in total predicted power is 24%. The detailed analysis of range of motion shows WEC-Sim predicted 95th percentile outliers (which dominate the design considerations) in position, speed, and torque by +15%, +14%, and +17%, respectively, for the fore float and - 1%, - 9%, and -6%, respectively, for the aft float.

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Microfabrication of a gadolinium-derived solid-state sensor for thermal neutrons

Journal of Radiation Research

Pfeifer, Kent B.; Achyuthan, Komandoor; Allen, Matthew; Denton, Michele L.B.; Siegal, Michael P.; Manginell, Ronald

Neutron sensing is critical in civilian and military applications. Conventional neutron sensors are limited by size, weight, cost, portability and helium supply. Here the microfabrication of gadolinium (Gd) conversion material-based heterojunction diodes for detecting thermal neutrons using electrical signals produced by internal conversion electrons (ICEs) is described. Films with negligible stress were produced at the tensile-compressive crossover point, enabling Gd coatings of any desired thickness by controlling the radiofrequency sputtering power and using the zero-point near p(Ar) of 50 mTorr at 100 W. Post-deposition Gd oxidation-induced spallation was eliminated by growing a residual stress-free 50 nm neodymium-doped aluminum cap layer atop Gd. The resultant coatings were stable for at least 6 years, demonstrating excellent stability and product shelf-life. Depositing Gd directly on the diode surface eliminated the air gap, leading to a 200-fold increase in electron capture efficiency and facilitating monolithic microfabrication. The conversion electron spectrum was dominated by ICEs with energies of 72, 132 and 174 keV. Results are reported for neutron reflection and moderation by polyethylene for enhanced sensitivity, and γ- and X-ray elimination for improved specificity. The optimal Gd thickness was 10.4 μm for a 300 μm-thick partially depleted diode of 300 mm 2 active surface area. Fast detection (within 10 min) at a neutron source-to-diode distance of 11.7 cm was achieved with this configuration. All ICE energies along with γ-ray and K α,β X-rays were modeled to emphasize correlations between experiment and theory. Semi-conductor thermal neutron detectors offer advantages for field-sensing of radioactive neutron sources.

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Comparison of the greenhouse gas and criteria pollutant emissions from the SF-BREEZE high-speed fuel-cell ferry with a diesel ferry

Transportation Research Part D: Transport and Environment

Klebanoff, Leonard E.; Pratt, Joseph W.

A theoretical comparison is made of the “well to waves” (WTW) greenhouse gas (GHG) and criteria pollutant emissions from the SF-BREEZE high-speed hydrogen PEM fuel cell ferry and the VALLEJO ferry powered by traditional diesel engine technology but constrained to Tier 4 emissions standards. The emissions were calculated for a common maritime mission, the current ferry route between Vallejo CA and San Francisco CA. Calculations are made of the energy required for the SF-BREEZE and VALLEJO to perform the mission route profile. The SF-BREEZE requires 10.1% more fuel energy than the VALLEJO, primarily due to the SF-BREEZE being heavier. Estimates are made for the SF-BREEZE GHG emissions associated with five LH2 fuel production pathways including renewable and non-renewable (fossil-fuel based) methods. Estimates are also made for GHG emissions associated with fossil-diesel production and delivery as well as those for biodiesel, which can be considered a renewable “drop-in” fuel replacement for conventional diesel fuel. We find that the GHG emissions for the SF-BREEZE using non-renewable LH2 are significantly higher than for the Tier 4 diesel-fueled VALLEJO on a per passenger basis. However, using renewable LH2, the GHG emissions for the SF-BREEZE ferry are reduced 75.8% compared to the diesel-fueled VALLEJO operating at Tier 4 emissions standards. We also compare the criteria pollutant emissions (NOx, HC, PM10) for the SF-BREEZE to that of the VALLEJO held to Tier 4 emissions standards fueled by diesel fuel or biodiesel. Hydrogen PEM fuel cell technology dramatically reduces NOx and HC emissions below the most advanced Tier 4 criteria pollutant emissions requirements regardless of whether the LH2 is made by NG reforming or via water electrolysis using 70% renewable energy. Renewable LH2 made with greater than 84% renewable process energy is needed to also drop the SF-BREEZE PM10 emissions below that of Tier 4 for high-speed fuel cell ferry transportation. Overall, the results show that operating a hydrogen fuel cell ferry on nearly 100% renewable hydrogen provides the dramatic reduction in GHG and criteria pollutant emissions commensurate with the problems of global climate change and maritime air pollution worldwide.

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Simulation of Engine Expansion for Transparent Nozzle Combustion Research

Abers, Paul M.

A solenoid valve system and the ability to remotely control devices were added to the transparent nozzle experimental setup. The remote control of the devices allow a user to completely control the experiment via a computer interface. The user can collect data (low speed data acquisition of pressure and temperature and high speed data acquisition of voltage), set injection pressure of the system, and control timing of triggering solenoids, data collection, cameras and injection. The solenoid valve system was shown to work properly and allow for the simulation of engine expansion by cutting off the intake flow of pressure and opening the exhaust flow to a vent. The solenoid valve setup was also shown to help with the problems of splash back and air bubbles forming inside the sack and nozzle tip.

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On coincident loop transient electromagnetic induction logging

Geophysics

Weiss, Chester J.; Swidinsky, Andrei

Coincident loop transient induction wireline logging is examined as the borehole analog of the well-known land and airborne time-domain electromagnetic (EM) method. The concept of whole-space late-time apparent resistivity is modified from the half-space version commonly used in land and airborne geophysics and applied to the coincident loop voltages produced from various formation, borehole, and invasion models. Given typical tool diameters, off-time measurements with such an instrument must be made on the order of nanoseconds to microseconds - much more rapidly than for surface methods. Departure curves of the apparent resistivity for thin beds, calculated using an algorithm developed to model the transient response of a loop in a multilayered earth, indicate that the depth of investigation scales with the bed thickness.Modeled resistivity logs are comparable in accuracy and resolution with standard frequency-domain focused induction logs. However, if measurement times are longer than a few microseconds, the thicknesses of conductors can be overestimated, whereas resistors are underestimated. Thin-bed resolution characteristics are explained by visualizing snapshots of the EM fields in the formation, where a conductor traps the electric field while two current maxima are produced in the shoulder beds surrounding a resistor. Radial profiling is studied using a concentric cylinder earth model. Results found that true formation resistivity can be determined in the presence of either oil- or water-based mud, although in the latter case, measurements must be taken several orders of magnitude later in time. The ability to determine true formation resistivity is governed by the degree that the EM field heals after being distorted by borehole fluid and invasion, a process visualized and particularly evident in the case of conductive water-based mud.

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Advanced Electronic Structure Calculations For Nanoelectronics Using Finite Element Bases and Effective Mass Theory

Springer Series in Materials Science series Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Foulk, James W.; Nielsen, Erik N.; Baczewski, Andrew D.; Moussa, J.E.; Gao, Xujiao; Salinger, Andrew G.; Muller, Richard P.

This paper describes our work over the past few years to use tools from quantum chemistry to describe electronic structure of nanoelectronic devices. These devices, dubbed "artificial atoms", comprise a few electrons, con ned by semiconductor heterostructures, impurities, and patterned electrodes, and are of intense interest due to potential applications in quantum information processing, quantum sensing, and extreme-scale classical logic. We detail two approaches we have employed: nite-element and Gaussian basis sets, exploring the interesting complications that arise when techniques that were intended to apply to atomic systems are instead used for artificial, solid-state devices.

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Probing low noise at the MOS interface with a spin-orbit qubit

arXiv.org

Jock, Ryan M.; Jacobson, Noah T.; Harvey-Collard, Patrick; Mounce, Andrew M.; Srinivasa, Vanita; Ward, Daniel R.; Anderson, John M.; Manginell, Ronald; Wendt, Joel R.; Rudolph, Martin; Pluym, Tammy; Foulk, James W.; Baczewski, Andrew D.; Witzel, Wayne M.; Carroll, M.S.

The silicon metal-oxide-semiconductor (MOS) material system is technologically important for the implementation of electron spin-based quantum information technologies. Researchers predict the need for an integrated platform in order to implement useful computation, and decades of advancements in silicon microelectronics fabrication lends itself to this challenge. However, fundamental concerns have been raised about the MOS interface (e.g. trap noise, variations in electron g-factor and practical implementation of multi-QDs). Furthermore, two-axis control of silicon qubits has, to date, required the integration of non-ideal components (e.g. microwave strip-lines, micro-magnets, triple quantum dots, or introduction of donor atoms). In this paper, we introduce a spin-orbit (SO) driven singlet- triplet (ST) qubit in silicon, demonstrating all-electrical two-axis control that requires no additional integrated elements and exhibits charge noise properties equivalent to other more model, but less commercially mature, semiconductor systems. We demonstrate the ability to tune an intrinsic spin-orbit interface effect, which is consistent with Rashba and Dresselhaus contributions that are remarkably strong for a low spin-orbit material such as silicon. The qubit maintains the advantages of using isotopically enriched silicon for producing a quiet magnetic environment, measuring spin dephasing times of 1.6 μs using 99.95% 28Si epitaxy for the qubit, comparable to results from other isotopically enhanced silicon ST qubit systems. This work, therefore, demonstrates that the interface inherently provides properties for two-axis control, and the technologically important MOS interface does not add additional detrimental qubit noise. isotopically enhanced silicon ST qubit systems

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Single-electron-occupation metal-oxide-semiconductor quantum dots formed from efficient poly-silicon gate layout

Physical Review Applied

Carroll, M.S.; Rochette, Sophie; Rudolph, Martin; Roy, A.M.; Curry, Matthew; Ten Eyck, Gregory A.; Manginell, Ronald; Wendt, Joel R.; Pluym, Tammy; Carr, Stephen M.; Ward, Daniel R.; Lilly, Michael; Pioro-Ladriere, Michel

We introduce a silicon metal-oxide-semiconductor quantum dot structure that achieves dot-reservoir tunnel coupling control without a dedicated barrier gate. The elementary structure consists of two accumulation gates separated spatially by a gap, one gate accumulating a reservoir and the other a quantum dot. Control of the tunnel rate between the dot and the reservoir across the gap is demonstrated in the single electron regime by varying the reservoir accumulation gate voltage while compensating with the dot accumulation gate voltage. The method is then applied to a quantum dot connected in series to source and drain reservoirs, enabling transport down to the single electron regime. Finally, tuning of the valley splitting with the dot accumulation gate voltage is observed. This split accumulation gate structure creates silicon quantum dots of similar characteristics to other realizations but with less electrodes, in a single gate stack subtractive fabrication process that is fully compatible with silicon foundry manufacturing.

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Reversible Redox-Induced Modulation of Sterics in an α-Diimine Ligand Coordinated to Gallium

Angewandte Chemie

Zarkesh, Ryan A.; Foster, Michael E.; Ichimura, Andrew S.; Anstey, Mitchell R.

The ability to tune the steric envelope through redox events post-synthetically or in tandem with other chemical processes is a powerful tool that could assist in enabling new catalytic methodologies and understanding potential pitfalls in ligand design. The α-diimine ligand, dmp-BIAN, exhibits the peculiar and previously unreported feature of varying steric profiles depending on oxidation state when paired with a main group element. A study of the factors that give rise to this behaviour as well as its impact on the incorporation of other ligands is performed.

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Size Effects on Deformation and Fracture of Scandium Deuteride Films

Journal of Materials Transactions

Teresi, C.S.; Hintsala, E.; Adams, David P.; Yang, Nancy; Kammler, Daniel; Moody, N.R.; Gerberich, W.W.

Metal hydride films have been observed to crack during production and use, prompting mechanical property studies of scandium deuteride films. The following focuses on elastic modulus, fracture, and size effects observed in the system for future film mechanical behavior modeling efforts. Scandium deuteride films were produced through the deuterium charging of electron beam evaporated scandium films using X-ray diffraction, scanning Auger microscopy, and electron backscatter diffraction to monitor changes in the films before and after charging. Scanning electron microscopy, nanoindentation, and focused ion beam machined micropillar compression tests were used for mechanical characterization of the scandium deuteride films. The micropillars showed a size effect for flow stress, indicating that film thickness is a relevant tuning parameter for film performance, and that fracture was controlled by the presence of grain boundaries. Elastic modulus was determined by both micropillar compression and nanoindentation to be approximately 150 GPa, Fracture studies of bulk film channel cracking as well as compression induced cracks in some of the pillars yielded a fracture toughness around 1.0 MPa-m1/2. Preliminary Weibull distributions of fracture in the micropillars are provided. Despite this relatively low value of fracture toughness, scandium deuteride micropillars can undergo a large degree of plasticity in small volumes and can harden to some degree, demonstrating the ductile and brittle nature of this material

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Evaluating the Coda Phase Delay Method for Determining Temperature Ratios in Windy Environments

Journal of the Acoustical Society of America

Albert, Sarah; Bowman, Daniel; Rodgers, Arthur; Seastrand, Douglas

We evaluate the acoustic coda phase delay method for estimating changes in atmospheric phenomena in realistic environments. Previous studies verifying the method took place in an environment with negligible wind. The equation for effective sound speed, which the method is based upon, shows that the influence of wind is equal to the square of temperature. Under normal conditions, wind is significant and therefore cannot be ignored. Results from this study con rm the previous statement. The acoustic coda phase delay method breaks down in non-ideal environments, namely those where wind speed and direction varies across small distances. We suggest that future studies make use of gradiometry to better understand the effect of wind on the acoustic coda and subsequent phase delays.

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Detection Identification and Quantification of Keto-Hydroperoxides in Low-Temperature Oxidation

Journal of Physical Chemistry Letters

Hansen, Nils; Moshammer, Kai; Jasper, Ahren W.

Keto-hydroperoxides are reactive partially oxidized intermediates that play a central role in chain-branching reactions during the low-temperature oxidation of hydrocarbons. In this Perspective, we outline how these short lived species can be detected, identified, and quantified using integrated experimental and theoretical approaches. The procedures are based on direct molecular-beam sampling from reactive environments, followed by mass spectrometry with single-photon ionization, identification of fragmentation patterns, and theoretical calculations of ionization thresholds, fragment appearance energies, and photoionization cross sections. Using the oxidation of neo-pentane and tetrahydrofuran as examples, the individual steps of the experimental approaches are described in depth together with a detailed description of the theoretical efforts. For neo-pentane, the experimental data are consistent with the calculated ionization and fragment appearance energies of the keto-hydroperoxide, thus adding confidence to the analysis routines and the employed levels of theory. For tetrahydrofuran, multiple keto-hydroperoxide isomers are possible due to the presence of nonequivalent O2 addition sites. Despite this additional complexity, the experimental data allow for the identification of two to four keto-hydroperoxides. Mole fraction profiles of the keto-hydroperoxides, which are quantified using calculated photoionization cross sections, are provided together with estimated uncertainties as function of the temperature of the reactive mixture and can serve as validation targets for chemically detailed mechanisms.

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Impact of Workplace and Other Convenient Vehicle Charging

Transportation Research Record: Journal of the Transportation Research Board

Levinson, Rebecca S.; West, Todd H.

This work uses market analysis and simulation to explore the potential impact of workplace and similarly convenient away-from-home charging infrastructure (AFHCI) in reducing US light duty vehicle (LDV) petroleum use and greenhouse gas emissions. The ParaChoice model simulates the evolution of LDV sales, fuel use, and emissions through 2050, considering consumer responses to different options of electric range extension made available through AFHCI, fraction of the population with access, and delay in infrastructure implementation. Results indicate that providing a greater fraction of the population access to level 1 AFHCI for a full workday may provide more benefit than providing level 2 charging to a lesser fraction. This result holds even considering the fraction of the population without at-home charging. Moreover, delays in infrastructure implementation have no substantial drawbacks for long term petroleum use reduction and EV adoption, though delays will impact short term gains.

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Efficient Uncertainty Quantification in Stochastic Economic Dispatch

IEEE Transactions on Power Systems

Safta, Cosmin; Chen, Richard L.Y.; Najm, Habib N.; Pinar, Ali P.; Watson, Jean-Paul

Stochastic economic dispatch models address uncertainties in forecasts of renewable generation output by considering a finite number of realizations drawn from a stochastic process model, typically via Monte Carlo sampling. Accurate evaluations of expectations or higher order moments for quantities of interest, e.g., generating cost, can require a prohibitively large number of samples. We propose an alternative to Monte Carlo sampling based on polynomial chaos expansions. These representations enable efficient and accurate propagation of uncertainties in model parameters, using sparse quadrature methods. We also use Karhunen-Loève expansions for efficient representation of uncertain renewable energy generation that follows geographical and temporal correlations derived from historical data at each wind farm. Considering expected production cost, we demonstrate that the proposed approach can yield several orders of magnitude reduction in computational cost for solving stochastic economic dispatch relative to Monte Carlo sampling, for a given target error threshold.

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Effects of Depressurization on Cavern and Well Integrity

Hart, David; Bettin, Giorgia; Lord, Anna S.

Crude oil storage caverns at the United States Strategic Petroleum Reserve are depressurized for well workovers . The depressurization changes the forces within the salt around the cavern resulting in increased cavern closure rate, changes in neighboring cavern behaviors, and possible surface subsidence. These effects are all associated with changes within the salt around the cavern. Conclusions about the effects at the Strategic Petroleum Reserve include: the majority of cavern volume is lost at the start of a workover; two behaviors, one an increase in pressurization rate and one a tracking of the workover cavern pressure, are seen in neighboring caverns; surface subsidence must take into account recent workovers for accurate site-wide evaluation. Impacts on cavern integrity and well integrity were not assessed at this time, modeling for integrity will be informed by the results of this study.

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Development of Predictive Models for Fleet Reliability in the Aircraft Industry

Marangoni-Simonsen, David M.

Population and sample databases were created with FAA Airworthiness Directives (AD) from 2000 to 2017 to identify failure points in the aircraft industry. Three linear models were created using these databases to find trends that could inform decision makers about the general nature of fleet recalls. The first relates the percent of the fleet affected to the subsystem listed in the AD, the second relates the severity of damage to the aircraft with respect to the subsystem of the aircraft, and the third relates the age of the aircraft to the time of the AD. These models concluded that younger aircraft experience more severe recalls, for all aircraft the severity of damage decreased as more of the fleet was affected by an AD, and active systems experience more severe ADs than passive systems. These trends show that there are significant relationships that exist that can be used in other areas of design.

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DOE OE Energy Storage Systems Safety Roadmap Focus on Codes and Standards - July 2017

Ferreira, Summer R.; Conover, David; Cole, Pam

The goal of the DOE OE ESS Safety Roadmap1 is to foster confidence in the safety and reliability of energy storage systems. There are three interrelated objectives to support the realization of that goal: research, codes and standards and communication/coordination. The objective focused on codes and standards is To apply research and development to support efforts that are focused on ensuring that codes and standards are available to enable the safe implementation of energy storage systems in a comprehensive, non-discriminatory and science-based manner. The following activities are intended to support that objective and realization of the goal: a. Review and assess codes and standards which affect the design, installation, and operation of ESS systems. b. Identify gaps in knowledge that require research and analysis that can serve as a basis for criteria in those codes and standards. c. Identify areas in codes and standards that are potentially in need of revision or enhancement and can benefit from activities conducted under research and development. d. Develop input for new or revisions to existing codes and standards through individual stakeholders, facilitated task forces, or through laboratory staff supporting these efforts. The purpose of this document is to support the above activities by providing information on current and upcoming efforts being conducted by U.S. standards developing organizations (SDOs) and other entities that are focused on energy storage system safety.

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Scaled Wind Farm Technology (SWiFT) Facility (Safety Assessment, Rev. 0)

Chamberlin, Holly C.; White, Jonathan R.; Stirrup, Timothy

This Safety Assessment (SA) documents the hazard analysis conducted for the Scaled Wind Farm Technology (SWiFT) Facility. The Sandia National Laboratories (SNL) Authorization Basis process requires Safety Assessment documents for all moderate-hazard industrial facilities. Together with the Primary Hazard Screening (PHS) Document [SNL11A00204), the SA documents the SWiFT safety basis, which is defined as the safety analysis and hazard controls that provide reasonable assurance that a DOE facility can be operated in a manner that adequately protects the workers, collocated/onsite workers, the public, and the environment. The SA specifically addresses the potential impact of hazards on the worker, collocated worker, and public.

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Estimates of SNL/NM maximum winds and recurrence intervals for use in non-nuclear building design loads

Deola, Regina A.

Extreme wind is one environmental aspect used in safe building and structure design. The Department of Energy (DOE) Standard (STD) 1020-2012 includes various building standards adopted by DOE, and guidance necessary to comply with Facility Safety. Recent updates to the American Society of Civil Engineers (ASCE) Standards and International Building Codes (IBC) were used to initiate a review of local maximum wind speeds and verify estimates to be used in new building design. This report summarizes the site specific wind data and techniques used in estimating the maximum wind speeds anticipated at Sandia National Laboratories, New Mexico. The local data suggests site specific increases in wind speed maxima over information documented in past standards and building codes.

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Characterization of systematic process variation in a silicon photonic platform

6th IEEE Photonics Society Optical Interconnects Conference, OI 2017

Boynton, Nicholas; Pomerene, Andrew; Starbuck, Andrew L.; Lentine, Anthony L.; Derose, Christopher

We present a quantitative analysis of the correlation of resonant wavelength variation with process variables, and find that 50% of the resonant wavelength variation for microrings is due to systematic process conditions. We also discuss the improvement of device uniformity by mitigating these systematic variations.

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An Adaptive Core-Specific Runtime for Energy Efficiency

Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium, IPDPS 2017

Bhalachandra, Sridutt; Porterfield, Allan; Olivier, Stephen L.; Prins, Jan F.

Energy efficiency in high performance computing (HPC) will be critical to limit operating costs and carbon footprints in future supercomputing centers. Energy efficiency of a computation can be improved by reducing time to completion without a substantial increase in power drawn or by reducing power with a little increase in time to completion. We present an Adaptive Core-specific Runtime (ACR) that dynamically adapts core frequencies to workload characteristics, and show examples of both reductions in power and improvement in the average performance. This improvement in energy efficiency is obtained without changes to the application. The adaptation policy embedded in the runtime uses existing core-specific power controls like software-controlled clock modulation and per-core Dynamic Voltage Frequency Scaling (DVFS) introduced in Intel Haswell. Experiments on six standard MPI benchmarks and a real world application show an overall 20% improvement in energy efficiency with less than 1% increase in execution time on 32 nodes (1024 cores) using per-core DVFS. An improvement in energy efficiency of up to 42% is obtained with the real world application ParaDis through a combination of speedup and power reduction. For one configuration, ParaDis achieves an average speedup of 11%, while the power is lowered by about 31%. The average improvement in the performance seen is a direct result of the reduction in run-to-run variation and running at turbo frequencies.

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Neurogenesis deep learning: Extending deep networks to accommodate new classes

Proceedings of the International Joint Conference on Neural Networks

Draelos, Timothy J.; Miner, Nadine E.; Lamb, Christopher; Cox, Jonathan A.; Vineyard, Craig M.; Carlson, Kristofor D.; Severa, William M.; James, Conrad D.; Aimone, James B.

Neural machine learning methods, such as deep neural networks (DNN), have achieved remarkable success in a number of complex data processing tasks. These methods have arguably had their strongest impact on tasks such as image and audio processing - data processing domains in which humans have long held clear advantages over conventional algorithms. In contrast to biological neural systems, which are capable of learning continuously, deep artificial networks have a limited ability for incorporating new information in an already trained network. As a result, methods for continuous learning are potentially highly impactful in enabling the application of deep networks to dynamic data sets. Here, inspired by the process of adult neurogenesis in the hippocampus, we explore the potential for adding new neurons to deep layers of artificial neural networks in order to facilitate their acquisition of novel information while preserving previously trained data representations. Our results on the MNIST handwritten digit dataset and the NIST SD 19 dataset, which includes lower and upper case letters and digits, demonstrate that neurogenesis is well suited for addressing the stability-plasticity dilemma that has long challenged adaptive machine learning algorithms.

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Optimization-based computation with spiking neurons

Proceedings of the International Joint Conference on Neural Networks

Verzi, Stephen J.; Vineyard, Craig M.; Vugrin, Eric; Sahakian, Meghan A.; James, Conrad D.; Aimone, James B.

Considerable effort is currently being spent designing neuromorphic hardware for addressing challenging problems in a variety of pattern-matching applications. These neuromorphic systems offer low power architectures with intrinsically parallel and simple spiking neuron processing elements. Unfortunately, these new hardware architectures have been largely developed without a clear justification for using spiking neurons to compute quantities for problems of interest. Specifically, the use of spiking for encoding information in time has not been explored theoretically with complexity analysis to examine the operating conditions under which neuromorphic computing provides a computational advantage (time, space, power, etc.) In this paper, we present and formally analyze the use of temporal coding in a neural-inspired algorithm for optimization-based computation in neural spiking architectures.

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Improving performance of GMRES by reducing communication and pipelining global collectives

Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017

Yamazaki, Ichitaro; Hoemmen, Mark F.; Luszczek, Piotr; Dongarra, Jack

We compare the performance of pipelined and s-step GMRES, respectively referred to as l-GMRES and s-GMRES, on distributed multicore CPUs. Compared to standard GMRES, s-GMRES requires fewer all-reduces, while l-GMRES overlaps the all-reduces with computation. To combine the best features of two algorithms, we propose another variant, (l, t)-GMRES, that not only does fewer global all-reduces than standard GMRES, but also overlaps those all-reduces with other work. We implemented the thread-parallelism and communication-overlap in two different ways. The first uses nonblocking MPI collectives with thread-parallel computational kernels. The second relies on a shared-memory task scheduler. In our experiments, (l, t)-GMRES performed better than l-GMRES by factors of up to 1.67×. In addition, though we only used 50 nodes, when the latency cost became significant, our variant performed up to 1.22× better than s-GMRES by hiding all-reduces.

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Performance-portable sparse matrix-matrix multiplication for many-core architectures

Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017

Deveci, Mehmet; Trott, Christian R.; Rajamanickam, Sivasankaran

We consider the problem of writing performance portablesparse matrix-sparse matrix multiplication (SPGEMM) kernelfor many-core architectures. We approach the SPGEMMkernel from the perspectives of algorithm design and implementation, and its practical usage. First, we design ahierarchical, memory-efficient SPGEMM algorithm. We thendesign and implement thread scalable data structures thatenable us to develop a portable SPGEMM implementation. We show that the method achieves performance portabilityon massively threaded architectures, namely Intel's KnightsLanding processors (KNLs) and NVIDIA's Graphic ProcessingUnits (GPUs), by comparing its performance to specializedimplementations. Second, we study an important aspectof SPGEMM's usage in practice by reusing the structure ofinput matrices, and show speedups up to 3× compared to thebest specialized implementation on KNLs. We demonstratethat the portable method outperforms 4 native methods on2 different GPU architectures (up to 17× speedup), and it ishighly thread scalable on KNLs, in which it obtains 101× speedup on 256 threads.

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Order or shuffle: Empirically evaluating vertex order impact on parallel graph computations

Proceedings - 2017 IEEE 31st International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2017

Slota, George M.; Rajamanickam, Sivasankaran; Madduri, Kamesh

The in-memory graph layout affects performance of distributed-memory graph computations. Graph layout could refer to partitioning or replication of vertex and edge arrays, selective replication of data structures that hold meta-data, and reordering vertex and edge identifiers. In this work, we consider one-dimensional graph layouts, where disjoint sets of vertices and their adjacencies are partitioned among processors. Using the PuLP graph partitioning method and a breadth-first search (BFS)-based vertex ordering strategy, we empirically evaluate the impact of this graph layout on a collection of five distributed-memory graph computations. Our evaluation considers several objective metrics in addition to execution time, and we observe a considerable performance improvement over randomization.

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Estimation and control for efficient autonomous drilling through layered materials

Proceedings of the American Control Conference

Spencer, Steven J.; Mazumdar, Anirban; Su, Jiann-Cherng; Foris, Adam J.; Buerger, Stephen P.

Drilling is a repetitive, dangerous and costly process and a strong candidate for automation. We describe a method for autonomously controlling a rotary drilling process as it transitions through multiple materials with very different dynamics. This approach classifies the drilling medium based on real-time measurements and comparison to prior drilling data, and can identify the material type, drilling region, and approximately optimal set-point based on data from as few as one operating condition. The controller uses these set-points as initial conditions, and then conducts an optimal search to maximize performance, e.g. by minimizing mechanical specific energy. The control architecture is described, and the material estimation process is detailed. The results of experiments that implement autonomous drilling through a layered concrete and granite sample are discussed.

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Luminescent tunable polydots: Charge effects in confined geometry

Journal of Chemical Physics

Wijesinghe, Sidath; Maskey, Sabina; Perahia, Dvora; Grest, Gary S.

Long-lived soft nanoparticles, formed by conjugated polymers, constitute a new class of far-from-equilibrium responsive structures for nano-medicine. Tethering ionizable groups to the polymers enables functionality. However concurrently, the ionic groups perturb the delicate balance of interactions that governs these particles. Using fully atomistic molecular dynamics simulations, this study probed the effects of charged groups tethered to poly para phenylene ethynylene substituted by alkyl groups on the polymer conformation and dynamics in confined geometry. We find that the ionizable groups affect the entire shape of the polydots and impact the conformation and dynamics of the polymer.

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Lifetime memory reliability data from the field

2017 IEEE Int. Symposium on Defect and Fault Tolerance in VLSI and Nanotechnology Systems, DFT 2017

Siddiqua, Taniya; Sridharan, Vilas; Raasch, Steven E.; Debardeleben, Nathan; Ferreira, Kurt; Levy, Scott L.N.; Baseman, Elisabeth; Guan, Qiang

In order to provide high system resilience, it is important to understand the nature of the faults that occur in the field. This study analyzes fault rates from a production system that has been monitored for five years, capturing data for the entire operational lifetime of the system. The data show that devices in this system did not show any sign of aging during the monitoring period, suggesting that the lifetime of a system may be longer than five years. In DRAM, the relative incidence of fault modes changed insignificantly over the system's lifetime: The relative rate of each fault mode at the end of the system's lifetime was within 1.4 percentage point of the rate observed during the first year. SRAM caches in the system exhibited different fault modes including cache-way fault and single-bit faults. Overall, this study provides insights on how fault modes and types in a system evolve over the system's lifetime.

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Coulomb-interaction induced coupling of Landau levels in intrinsic and modulation-doped quantum wells

Physical Review B

Paul, J.; Stevens, C.E.; Zhang, H.; Dey, P.; Mcginty, D.; Mcgill, S.A.; Smith, R.P.; Reno, John L.; Turkowski, V.; Perakis, I.E.; Hilton, D.J.; Karaiskaj, D.

We have performed two-dimensional Fourier transform spectroscopy on intrinsic and modulation doped quantum wells in external magnetic fields up to 10 T. In the undoped sample, the strong Coulomb interactions and the increasing separations of the electron and hole charge distributions with increasing magnetic fields lead to a nontrivial in-plane dispersion of the magneto-excitons. Thus, the discrete and degenerate Landau levels are coupled to a continuum. The signature of this continuum is the emergence of elongated spectral line shapes at the Landau level energies, which are exposed by the multidimensional nature of our technique. Surprisingly, the elongation of the peaks is completely absent in the lowest Landau level spectra obtained from the modulation doped quantum well at high fields.

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Pressure separation and gas flows in a prototype vacuum-pumped solar-thermochemical reactor

AIP Conference Proceedings

Ermanoski, Ivan; Orozco, Adrian S.; Grobbel, Johannes

A detailed design of pressure separation by packed columns of particles, in a solar-thermochemical reactor prototype, is presented. Results show that the concept is sound and robust under a multitude operational conditions. Straightforward control approaches, such as pumping speed and pressure adjustments, can be implemented to cover a wide range of contingencies.

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Scheduling Chapel tasks with Qthreads on manycore: A tale of two schedulers

Proceedings of the 7th International Workshop on Runtime and Operating Systems for Supercomputers, ROSS 2017 - In conjunction with HPDC

Evans, Noah; Olivier, Stephen L.; Barrett, Richard F.; Stelle, George

This paper describes improvements in task scheduling for the Chapel parallel programming language provided in its default on-node tasking runtime, the Qthreads library. We describe a new scheduler distrib which builds on the approaches of two previous Qthreads schedulers, Sherwood and Nemesis, and combines the best aspects of both-work stealing and load balancing from Sherwood and a lock free queue access from Nemesis- to make task queuing better suited for the use of Chapel in the manycore era. We demonstrate the efficacy of this new scheduler by showing improvements in various individual benchmarks of the Chapel test suite on the Intel Knights Landing architecture.

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Numerical investigations of potential systematic uncertainties in iron opacity measurements at solar interior temperatures

Physical Review E

Nagayama, Taisuke; Bailey, James E.; Loisel, Guillaume P.; Rochau, G.A.

Iron opacity calculations presently disagree with measurements at an electron temperature of ∼180-195 eV and an electron density of (2-4)×1022cm-3, conditions similar to those at the base of the solar convection zone. The measurements use x rays to volumetrically heat a thin iron sample that is tamped with low-Z materials. The opacity is inferred from spectrally resolved x-ray transmission measurements. Plasma self-emission, tamper attenuation, and temporal and spatial gradients can all potentially cause systematic errors in the measured opacity spectra. In this article we quantitatively evaluate these potential errors with numerical investigations. The analysis exploits computer simulations that were previously found to reproduce the experimentally measured plasma conditions. The simulations, combined with a spectral synthesis model, enable evaluations of individual and combined potential errors in order to estimate their potential effects on the opacity measurement. The results show that the errors considered here do not account for the previously observed model-data discrepancies.

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Predicting output performance of a petascale supercomputer

HPDC 2017 - Proceedings of the 26th International Symposium on High-Performance Parallel and Distributed Computing

Xie, Bing; Huang, Yezhou; Chase, Jefrey S.; Choi, Jong Y.; Klasky, Scott; Lofstead, Gerald F.; Oral, Sarp

In this paper, we develop a predictive model useful for output performance prediction of supercomputer file systems under production load. Our target environment is Titan-the 3rd fastest supercomputer in the world-and its Lustre-based multi-stage write path. We observe from Titan that although output performance is highly variable at small time scales, the mean performance is stable and consistent over typical application run times. Moreover, we find that output performance is non-linearly related to its correlated parameters due to interference and saturation on individual stages on the path. These observations enable us to build a predictive model of expected write times of output patterns and I/O configurations, using feature transformations to capture non-linear relationships. We identify the candidate features based on the structure of the Lustre/Titan write path, and use feature transformation functions to produce a model space with 135,000 candidate models. By searching for the minimal mean square error in this space we identify a good model and show that it is effective.

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Self-assembled Co-BaZrO3 nanocomposite thin films with ultra-fine vertically aligned Co nanopillars

Nanoscale

Lu, Ping

A simple one-step pulsed laser deposition (PLD) method has been applied to grow self-assembled metal-oxide nanocomposite thin films. The as-deposited Co-BaZrO3 films show high epitaxial quality with ultra-fine vertically aligned Co nanopillars (diameter <5 nm) embedded in a BZO matrix. The diameter of the nanopillars can be further tuned by varying the deposition frequency. The metal and oxide phases grow separately without inter-diffusion or mixing. Taking advantage of this unique structure, a high saturation magnetization of ∼1375 emu cm-3 in the Co-BaZrO3 nanocomposites has been achieved and further confirmed by Lorentz microscopy imaging in TEM. Furthermore, the coercivity values of this nanocomposite thin films range from 600 Oe (20 Hz) to 1020 Oe (2 Hz), which makes the nanocomposite an ideal candidate for high-density perpendicular recording media.

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Fast neutron background characterization with the Radiological Multi-sensor Analysis Platform (RadMAP)

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Davis, John R.; Brubaker, E.; Vetter, Kai

In an effort to characterize the fast neutron radiation background, 16 EJ-309 liquid scintillator cells were installed in the Radiological Multi-sensor Analysis Platform (RadMAP) to collect data in the San Francisco Bay Area. Each fast neutron event was associated with specific weather metrics (pressure, temperature, absolute humidity) and GPS coordinates. The expected exponential dependence of the fast neutron count rate on atmospheric pressure was demonstrated and event rates were subsequently adjusted given the measured pressure at the time of detection. Pressure adjusted data was also used to investigate the influence of other environmental conditions on the neutron background rate. Using National Oceanic and Atmospheric Administration (NOAA) coastal area lidar data, an algorithm was implemented to approximate sky-view factors (the total fraction of visible sky) for points along RadMAPs route. Three areas analyzed in San Francisco, Downtown Oakland, and Berkeley all demonstrated a suppression in the background rate of over 50% for the range of sky-view factors measured. This effect, which is due to the shielding of cosmic-ray produced neutrons by surrounding buildings, was comparable to the pressure influence which yielded a 32% suppression in the count rate over the range of pressures measured.

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Accelerated solution of discrete ordinates approximation to the Boltzmann transport equation via model reduction

Journal of Heat Transfer

Tencer, John T.; Carlberg, Kevin T.; Larsen, Marvin E.; Foulk, James W.

Radiation heat transfer is an important phenomenon in many physical systems of practical interest. When participating media is important, the radiative transfer equation (RTE) must be solved for the radiative intensity as a function of location, time, direction, and wavelength. In many heat-transfer applications, a quasi-steady assumption is valid, thereby removing time dependence. The dependence on wavelength is often treated through a weighted sum of gray gases (WSGG) approach. The discrete ordinates method (DOM) is one of the most common methods for approximating the angular (i.e., directional) dependence. The DOM exactly solves for the radiative intensity for a finite number of discrete ordinate directions and computes approximations to integrals over the angular space using a quadrature rule; the chosen ordinate directions correspond to the nodes of this quadrature rule. This paper applies a projection-based model-reduction approach to make high-order quadrature computationally feasible for the DOM for purely absorbing applications. First, the proposed approach constructs a reduced basis from (high-fidelity) solutions of the radiative intensity computed at a relatively small number of ordinate directions. Then, the method computes inexpensive approximations of the radiative intensity at the (remaining) quadrature points of a high-order quadrature using a reduced-order model constructed from the reduced basis. Finally, this results in a much more accurate solution than might have been achieved using only the ordinate directions used to compute the reduced basis. One- and three-dimensional test problems highlight the efficiency of the proposed method.

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Intrusive polynomial chaos methods for forward uncertainty propagation

Handbook of Uncertainty Quantification

Debusschere, Bert

Polynomial chaos (PC)-based intrusive methods for uncertainty quantification reformulate the original deterministic model equations to obtain a system of equations for the PC coefficients of the model outputs. This system of equations is larger than the original model equations, but solving it once yields the uncertainty information for all quantities in the model. This chapter gives an overview of the literature on intrusive methods, outlines the approach on a general level, and then applies it to a system of three ordinary differential equations that model a surface reaction system. Common challenges and opportunities for intrusive methods are also highlighted.

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Novelty detection for predicting falls risk using smartphone gait data

ICASSP, IEEE International Conference on Acoustics, Speech and Signal Processing - Proceedings

Martinez, Matthew T.; De Leon, Phillip L.; Keeley, David

In this paper, we consider the problem of falls risk prediction in elderly adults using smartphone-based inertial gait measurements. We begin by collecting a parallel data set from a pressure sensitive walkway and smartphones. The walk-way data is used to calculate the falls risk ground truth using well-established biomechanical norms. The smartphone data and falls risk labels are then used to train and evaluate both the one-class support vector machine (OC-SVM) and the support vector data description (SVDD) novelty detectors. In our evaluation, we find the SVDD has an average F1 score, used as a measure of classifier performance by equally weighting precision and recall, of 76% for females and 79% for males compared to 79%for a universal model. These results demonstrate the potential for predicting falls risk from smartphone data using novelty detection.

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Using computational game theory to guide verification and security in hardware designs

Proceedings of the 2017 IEEE International Symposium on Hardware Oriented Security and Trust, HOST 2017

Smith, Andrew M.; Mayo, Jackson R.; Kammler, Vivian; Armstrong, Robert C.; Vorobeychik, Yevgeniy

Verifying that hardware design implementations adhere to specifications is a time intensive and sometimes intractable problem due to the massive size of the system's state space. Formal methods techniques can be used to prove certain tractable specification properties; however, they are expensive, and often require subject matter experts to develop and solve. Nonetheless, hardware verification is a critical process to ensure security and safety properties are met, and encapsulates problems associated with trust and reliability. For complex designs where coverage of the entire state space is unattainable, prioritizing regions most vulnerable to security or reliability threats would allow efficient allocation of valuable verification resources. Stackelberg security games model interactions between a defender, whose goal is to assign resources to protect a set of targets, and an attacker, who aims to inflict maximum damage on the targets after first observing the defender's strategy. In equilibrium, the defender has an optimal security deployment strategy, given the attacker's best response. We apply this Stackelberg security framework to synthesized hardware implementations using the design's network structure and logic to inform defender valuations and verification costs. The defender's strategy in equilibrium is thus interpreted as a prioritization of the allocation of verification resources in the presence of an adversary. We demonstrate this technique on several open-source synthesized hardware designs.

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Multifidelity uncertainty quantification using spectral stochastic discrepancy models

Handbook of Uncertainty Quantification

Eldred, Michael; Ng, Leo W.T.; Barone, Matthew F.; Domino, Stefan P.

When faced with a restrictive evaluation budget that is typical of today's highfidelity simulation models, the effective exploitation of lower-fidelity alternatives within the uncertainty quantification (UQ) process becomes critically important. Herein, we explore the use of multifidelity modeling within UQ, for which we rigorously combine information from multiple simulation-based models within a hierarchy of fidelity, in seeking accurate high-fidelity statistics at lower computational cost. Motivated by correction functions that enable the provable convergence of a multifidelity optimization approach to an optimal high-fidelity point solution, we extend these ideas to discrepancy modeling within a stochastic domain and seek convergence of a multifidelity uncertainty quantification process to globally integrated high-fidelity statistics. For constructing stochastic models of both the low-fidelity model and the model discrepancy, we employ stochastic expansion methods (non-intrusive polynomial chaos and stochastic collocation) computed by integration/interpolation on structured sparse grids or regularized regression on unstructured grids. We seek to employ a coarsely resolved grid for the discrepancy in combination with a more finely resolved Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. Grid for the low-fidelity model. The resolutions of these grids may be defined statically or determined through uniform and adaptive refinement processes. Adaptive refinement is particularly attractive, as it has the ability to preferentially target stochastic regions where the model discrepancy becomes more complex, i.e., where the predictive capabilities of the low-fidelity model start to break down and greater reliance on the high-fidelity model (via the discrepancy) is necessary. These adaptive refinement processes can either be performed separately for the different grids or within a coordinated multifidelity algorithm. In particular, we present an adaptive greedy multifidelity approach in which we extend the generalized sparse grid concept to consider candidate index set refinements drawn from multiple sparse grids, as governed by induced changes in the statistical quantities of interest and normalized by relative computational cost. Through a series of numerical experiments using statically defined sparse grids, adaptive multifidelity sparse grids, and multifidelity compressed sensing, we demonstrate that the multifidelity UQ process converges more rapidly than a single-fidelity UQ in cases where the variance of the discrepancy is reduced relative to the variance of the high-fidelity model (resulting in reductions in initial stochastic error), where the spectrum of the expansion coefficients of the model discrepancy decays more rapidly than that of the high-fidelity model (resulting in accelerated convergence rates), and/or where the discrepancy is more sparse than the high-fidelity model (requiring the recovery of fewer significant terms).

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Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons

Journal of Physical Chemistry A

Johansson, Karl O.H.; Campbell, Matthew F.; Elvati, Paolo; Schrader, Paul; Zador, Judit; Richards-Henderson, Nicole K.; Wilson, Kevin R.; Violi, Angela; Michelsen, Hope A.

We have measured photoionization-efficiency curves for pyrene, fluoranthene, chrysene, perylene, and coronene in the photon energy range of 7.5-10.2 eV and derived their photoionization cross-section curves in this energy range. All measurements were performed using tunable vacuum ultraviolet (VUV) radiation generated at the Advanced Light Source synchrotron at Lawrence Berkeley National Laboratory. The VUV radiation was used for photoionization, and detection was performed using a time-of-flight mass spectrometer. We measured the photoionization efficiency of 2,5-dimethylfuran simultaneously with those of pyrene, fluoranthene, chrysene, perylene, and coronene to obtain references of the photon flux during each measurement from the known photoionization cross-section curve of 2,5-dimethylfuran.

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Critical Assessment of Photoionization Efficiency Measurements for Characterization of Soot-Precursor Species

Journal of Physical Chemistry A

Johansson, Karl O.H.; Zador, Judit; Elvati, Paolo; Campbell, Matthew F.; Schrader, Paul; Richards-Henderson, Nicole K.; Wilson, Kevin R.; Violi, Angela; Michelsen, Hope A.

We present a critical evaluation of photoionization efficiency (PIE) measurements coupled with aerosol mass spectrometry for the identification of condensed soot-precursor species extracted from a premixed atmospheric-pressure ethylene/oxygen/nitrogen flame. Definitive identification of isomers by any means is complicated by the large number of potential isomers at masses likely to comprise particles at flame temperatures. This problem is compounded using PIE measurements by the similarity in ionization energies and PIE-curve shapes among many of these isomers. Nevertheless, PIE analysis can provide important chemical information. For example, our PIE curves show that neither pyrene nor fluoranthene alone can describe the signal from C16H10 isomers and that coronene alone cannot describe the PIE signal from C24H12 species. A linear combination of the reference PIE curves for pyrene and fluoranthene yields good agreement with flame-PIE curves measured at 202 u, which is consistent with pyrene and fluoranthene being the two major C16H10 isomers in the flame samples, but does not provide definite proof. The suggested ratio between fluoranthene and pyrene depends on the sampling conditions. We calculated the values of the adiabatic-ionization energy (AIE) of 24 C16H10 isomers. Despite the small number of isomers considered, the calculations show that the differences in AIEs between several of the isomers can be smaller than the average thermal energy at room temperature. The calculations also show that PIE analysis can sometimes be used to separate hydrocarbon species into those that contain mainly aromatic rings and those that contain significant aliphatic content for species sizes investigated in this study. Our calculations suggest an inverse relationship between AIE and the number of aromatic rings. We have demonstrated that further characterization of precursors can be facilitated by measurements that test species volatility. (Graph Presented).

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Cache locality optimization for recursive programs

Proceedings of the ACM SIGPLAN Conference on Programming Language Design and Implementation (PLDI)

Lifflander, Jonathan J.; Krishnamoorthy, Sriram

We present an approach to optimize the cache locality for recursive programs by dynamically splicing-recursively interleaving-the execution of distinct function invocations. By utilizing data effect annotations, we identify concurrency and data reuse opportunities across function invocations and interleave them to reduce reuse distance. We present algorithms that efficiently track effects in recursive programs, detect interference and dependencies, and interleave execution of function invocations using user-level (non-kernel) lightweight threads. To enable multi-core execution, a program is parallelized using a nested fork/join programming model. Our cache optimization strategy is designed to work in the context of a random work-stealing scheduler. We present an implementation using the MIT Cilk framework that demonstrates significant improvements in sequential and parallel performance, competitive with a state-of-the-art compile-time optimizer for loop programs and a domainspecific optimizer for stencil programs.

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Pure-rotational H2 thermometry by ultrabroadband coherent anti-stokes Raman spectroscopy

Journal of Chemical Physics

Kliewer, Christopher; Courtney, Trevor L.; Patterson, Brian; Bohlin, Alexis

Coherent anti-Stokes Raman spectroscopy (CARS) is a sensitive technique for probing highly luminous flames in combustion applications to determine temperatures and species concentrations. CARS thermometry has been demonstrated for the vibrational Q-branch and pure-rotational S-branch of several small molecules. Practical advantages of pure-rotational CARS, such as multi-species detection, reduction of coherent line mixing and collisional narrowing even at high pressures, and the potential for more precise thermometry, have motivated experimental and theoretical advances in S-branch CARS of nitrogen (N2), for example, which is a dominant species in air-fed combustion processes. Although hydrogen (H2) is of interest given its prevalence as a reactant and product in many gas-phase reactions, laser bandwidth limitations have precluded the extension of CARS thermometry to the H2 S-branch. We demonstrate H2 thermometry using hybrid femtosecond/picosecond pure-rotational CARS, in which a broadband pump/Stokes pulse enables simultaneous excitation of the set of H2 S-branch transitions populated at flame temperatures over the spectral region of 0-2200 cm-1. We present a pure-rotational H2 CARS spectral model for data fitting and compare extracted temperatures to those from simultaneously collected N2 spectra in two systems of study: a heated flow and a diffusion flame on a Wolfhard-Parker slot burner. From 300 to 650 K in the heated flow, the H2 and N2 CARS extracted temperatures are, on average, within 2% of the set temperature. For flame measurements, the fitted H2 and N2 temperatures are, on average, within 5% of each other from 300 to 1600 K. Our results confirm the viability of pure-rotational H2 CARS thermometry for probing combustion reactions.

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Coarse-Grained Modeling of Polyethylene Melts: Effect on Dynamics

Journal of Chemical Theory and Computation

Peters, Brandon L.; Salerno, K.M.; Agrawal, Anupriya; Perahia, Dvora; Grest, Gary S.

The distinctive viscoelastic behavior of polymers results from a coupled interplay of motion on multiple length and time scales. Capturing the broad time and length scales of polymer motion remains a challenge. Using polyethylene (PE) as a model macromolecule, we construct coarse-grained (CG) models of PE with three to six methyl groups per CG bead and probe two critical aspects of the technique: pressure corrections required after iterative Boltzmann inversion (IBI) to generate CG potentials that match the pressure of reference fully atomistic melt simulations and the transferability of CG potentials across temperatures. While IBI produces nonbonded pair potentials that give excellent agreement between the atomistic and CG pair correlation functions, the resulting pressure for the CG models is large compared with the pressure of the atomistic system. We find that correcting the potential to match the reference pressure leads to nonbonded interactions with much deeper minima and slightly smaller effective bead diameter. However, simulations with potentials generated by IBI and pressure-corrected IBI result in similar mean-square displacements (MSDs) and stress autocorrelation functions G(t) for PE melts. While the time rescaling factor required to match CG and atomistic models is the same for pressure-and non-pressure-corrected CG models, it strongly depends on temperature. Transferability was investigated by comparing the MSDs and stress autocorrelation functions for potentials developed at different temperatures.

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Initiation Reactions in Acetylene Pyrolysis

Journal of Physical Chemistry A

Zador, Judit; Fellows, Madison D.; Miller, James A.

In gas-phase combustion systems the interest in acetylene stems largely from its role in molecular weight growth processes. The consensus is that above 1500 K acetylene pyrolysis starts mainly with the homolytic fission of the C-H bond creating an ethynyl radical and an H atom. However, below ∼1500 K this reaction is too slow to initiate the chain reaction. It has been hypothesized that instead of dissociation, self-reaction initiates this process. Nevertheless, rigorous theoretical or direct experimental evidence is lacking, to an extent that even the molecular mechanism is debated in the literature. In this work we use rigorous ab initio transition-state theory master equation methods to calculate pressure- and temperature-dependent rate coefficients for the association of two acetylene molecules and related reactions. We establish the role of vinylidene, the high-energy isomer of acetylene in this process, compare our results with available experimental data, and assess the competition between the first-order and second-order initiation steps. We also show the effect of the rapid isomerization among the participating wells and highlight the need for time-scale analysis when phenomenological rate coefficients are compared to observed time scales in certain experiments. (Graph Presented).

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Autonomous dynamic soaring

IEEE Aerospace Conference Proceedings

Boslough, Mark

This project makes use of "biomimetic behavioral engineering" in which adaptive strategies used by animals in the real world are applied to the development of autonomous robots. The key elements of the biomimetic approach are to observe and understand a survival behavior exhibited in nature, to create a mathematical model and simulation capability for that behavior, to modify and optimize the behavior for a desired robotics application, and to implement it. The application described in this report is dynamic soaring, a behavior that certain sea birds use to extract flight energy from laminar wind velocity gradients in the shallow atmospheric boundary layer directly above the ocean surface. Theoretical calculations, computational proof-of-principle demonstrations, and the first instrumented experimental flight test data for dynamic soaring are presented to address the feasibility of developing dynamic soaring flight control algorithms to sustain the flight of unmanned airborne vehicles (UAVs). Both hardware and software were developed for this application. Eight-foot custom foam sailplanes were built and flown in a steep shear gradient. A logging device was designed and constructed with custom software to record flight data during dynamic soaring maneuvers. A computational toolkit was developed to simulate dynamic soaring in special cases and with a full 6-degree of freedom flight dynamics model in a generalized time-dependent wind field. Several 3-dimensional visualization tools were built to replay the flight simulations. A realistic aerodynamics model of an eight-foot sailplane was developed using measured aerodynamic derivatives. Genetic programming methods were developed and linked to the simulations and visualization tools. These tools can now be generalized for other biomimetic behavior applications. This work was carried out in 2000 and 2001, and until now its results have only been available in an internal Sandia report.

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Non-metallic dopant modulation of conductivity in substoichiometric tantalum pentoxide: A first-principles study

Journal of Applied Physics

Bondi, Robert J.; Fox, Brian P.; Marinella, Matthew

We apply density-functional theory calculations to predict dopant modulation of electrical conductivity (σo) for seven dopants (C, Si, Ge, H, F, N, and B) sampled at 18 quantum molecular dynamics configurations of five independent insertion sites into two (high/low) baseline references of σo in amorphous Ta2O5, where each reference contains a single, neutral O vacancy center (VO0). From this statistical population (n = 1260), we analyze defect levels, physical structure, and valence charge distributions to characterize nanoscale modification of the atomistic structure in local dopant neighborhoods. C is the most effective dopant at lowering Ta2Ox σo, while also exhibiting an amphoteric doping behavior by either donating or accepting charge depending on the host oxide matrix. Both B and F robustly increase Ta2Ox σo, although F does so through elimination of Ta high charge outliers, while B insertion conversely creates high charge O outliers through favorable BO3 group formation, especially in the low σo reference. While N applications to dope and passivate oxides are prevalent, we found that N exacerbates the stochasticity of σo we sought to mitigate; sensitivity to the N insertion site and some propensity to form N-O bond chemistries appear responsible. We use direct first-principles predictions of σo to explore feasible Ta2O5 dopants to engineer improved oxides with lower variance and greater repeatability to advance the manufacturability of resistive memory technologies.

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Tracking of streaking targets in video frames

IEEE Aerospace Conference Proceedings

Finelli, Andrew; Willett, Peter; Bar-Shalom, Yaakov; Melgaard, David K.; Byrne, Raymond

A method for tracking streaking targets (targets whose signatures are spread across multiple pixels in a focal plane array) is developed. The outputs of a bank of matched filters are thresholded and then used for measurement extraction. The use of the Deep Target Extractor (DTE, previously called the MLPMHT) allows for tracking in the very low observable (VLO) environment common when a streaking target is present. A definition of moving target signal to noise ratio (MT-SNR) is also presented as a metric for trackability. The extraction algorithm and the DTE are then tested across several variables, including trajectory, MT-SNR, and streak length. The DTE and measurement extraction process performs remarkably well in this difficult tracking environment on these data features.

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Compensating for parasitic voltage drops in resistive memory arrays

2017 IEEE 9th International Memory Workshop, IMW 2017

Agarwal, Sapan; Schiek, Richard; Marinella, Matthew

Parasitic resistances cause devices in a resistive memory array to experience different read/write voltages depending on the device location, resulting in uneven writes and larger leakage currents. We present a new method to compensate for this by adding extra series resistance to the drivers to equalize the parasitic resistance seen by all the devices. This allows for uniform writes, enabling multi-level cells with greater numbers of distinguishable levels, and reduced write power, enabling larger arrays.

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Safety assessment for deep geological disposal of high-level radioactive waste

Geological Repository Systems for Safe Disposal of Spent Nuclear Fuels and Radioactive Waste

Swift, Peter

Safety assessments estimate the long-term performance of geological disposal systems for radioactive waste using quantitative models. This paper reviews regulatory standards, selection of scenarios for analysis, the development of computational models and their linkage into a system analysis, and the iterative relationship between site characterization and safety assessment. Uncertainty must be acknowledged and can be accounted for using both conservative deterministic and probabilistic approaches. In addition to generating performance estimates for comparison to regulatory standards, safety assessments can also guide research and model development, evaluate design alternatives, enhance the scientific understanding of the system, and contribute to public acceptance.

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1 H- 19 F REDOR-filtered NMR spin diffusion measurements of domain size in heterogeneous polymers

Magnetic Resonance in Chemistry

Alam, Todd M.; Sorte, Eric

Solid state NMR spectroscopy is inherently sensitive to chemical structure and composition, and thus makes an ideal method to probe the heterogeneity of multicomponent polymers. Specifically, NMR spin diffusion experiments can be used to extract reliable information about spatial domain sizes on multiple length scales, provided that magnetization selection of one domain can be achieved. In this paper, we demonstrate the preferential filtering of protons in fluorinated domains during NMR spin diffusion exper-iments using 1H-19F heteronuclear dipolar dephasing based on rotational echo double resonance (REDOR) MAS NMR techniques. Three pulse sequence variations are demonstrated based on the different nuclei detected: direct 1H detection, plus both 1H→13C cross polarization (CP) and 1H→19F CP detection schemes. This 1H-19F REDOR-filtered spin diffusion method was used to measure fluorinated domain sizes for a complex polymer blend. The efficacy of the REDOR-based spin filter does not rely on spin relaxation behavior or chemical shift differences, and thus is applicable for performing NMR spin diffu-sion experiments in samples where traditional magnetization filters may prove unsuccessful. This REDOR-filtered NMR spin diffusion method can also be extended to other samples where a heteronuclear spin pair exists that is unique to the domain of interest.

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Vacuum gap microstrip microwave resonators for 2.5-D integration in quantum computing

IEEE Transactions on Applied Superconductivity

Lewis, Rupert M.; Henry, Michael D.; Schroeder, Katlin M.

Vacuum gap λ/2 microwave resonators are demonstrated as a route toward higher integration in superconducting qubit circuits. The resonators are fabricated from pieces on two silicon chips bonded together with an In-Sb bond. Measurements of the devices yield resonant frequencies in good agreement with simulations. Creating low loss circuits in this geometry is also discussed.

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Applicability Analysis of Validation Evidence for Biomedical Computational Models

Journal of Verification, Validation and Uncertainty Quantification

Pathmanathan, Pras; Gray, Richard A.; Romero, Vicente J.; Morrison, Tina M.

Computational modeling has the potential to revolutionize medicine the way it transformed engineering. However, despite decades of work, there has only been limited progress to successfully translate modeling research to patient care. One major difficulty which often occurs with biomedical computational models is an inability to perform validation in a setting that closely resembles how the model will be used. For example, for a biomedical model that makes in vivo clinically relevant predictions, direct validation of predictions may be impossible for ethical, technological, or financial reasons. Unavoidable limitations inherent to the validation process lead to challenges in evaluating the credibility of biomedical model predictions. Therefore, when evaluating biomedical models, it is critical to rigorously assess applicability, that is, the relevance of the computational model, and its validation evidence to the proposed context of use (COU). However, there are no well-established methods for assessing applicability. Here, we present a novel framework for performing applicability analysis and demonstrate its use with a medical device computational model. The framework provides a systematic, step-by-step method for breaking down the broad question of applicability into a series of focused questions, which may be addressed using supporting evidence and subject matter expertise. The framework can be used for model justification, model assessment, and validation planning. While motivated by biomedical models, it is relevant to a broad range of disciplines and underlying physics. The proposed applicability framework could help overcome some of the barriers inherent to validation of, and aid clinical implementation of, biomedical models.

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Structural properties of scandium inorganic salts

Coordination Chemistry Reviews

Sears, Jeremiah M.; Boyle, Timothy

The structural properties of reported inorganic scandium (Sc) salts were reviewed, including the halide (Cl, Br, and I), nitrate, sulfate, and phosphate salts. Additional analytical techniques used for characterization of these complexes (metrical data, FTIR and 45Sc NMR spectroscopy) were tabulated. A structural comparison of Sc to select lanthanide (La, Gd, Lu) salt complexes was briefly evaluated.

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Femtosecond optical polarization switching using a cadmium oxide-based perfect absorber

Nature Photonics

Yang, Yuanmu; Kelley, Kyle; Sachet, Edward; Campione, Salvatore; Luk, Ting S.; Maria, Jon P.; Sinclair, Michael B.; Brener, Igal

Ultrafast control of the polarization state of light may enable a plethora of applications in optics, chemistry and biology. However, conventional polarizing elements, such as polarizers and waveplates, are either static or possess only gigahertz switching speeds. Here, with the aid of high-mobility indium-doped cadmium oxide (CdO) as the gateway plasmonic material, we realize a high-quality factor Berreman-type perfect absorber at a wavelength of 2.08 μm. On sub-bandgap optical pumping, the perfect absorption resonance strongly redshifts because of the transient increase of the ensemble-averaged effective electron mass of CdO, which leads to an absolute change in the p-polarized reflectance from 1.0 to 86.3%. By combining the exceedingly high modulation depth with the polarization selectivity of the perfect absorber, we experimentally demonstrate a reflective polarizer with a polarization extinction ratio of 91 that can be switched on and off within 800 fs.

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Materials Study of NbN and TaxN Thin Films for SNS Josephson Junctions

IEEE Transactions on Applied Superconductivity

Missert, Nancy; Brunke, Lyle B.; Henry, Michael D.; Wolfley, Steven; Howell, Stephen W.; Mudrick, John P.; Lewis, Rupert M.

Properties of NbN and TaxN thin films grown at ambient temperatures on SiO2/Si substrates by reactive-pulsed laser deposition and reactive magnetron sputtering (MS) as a function of N2 gas flow were investigated. Both techniques produced films with smooth surfaces, where the surface roughness did not depend on the N2 gas flow during growth. High crystalline quality, (111) oriented NbN films with Tc up to 11 K were produced by both techniques for N contents near 50%. The low temperature transport properties of the TaxN films depended upon both the N2 partial pressure used during growth and the film thickness. The root mean square surface roughness of TaxN films grown by MS increased as the film thickness decreased down to 10 nm.

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Analysis of multilayer devices for superconducting electronics by high-resolution scanning transmission electron microscopy and energy dispersive spectroscopy

IEEE Transactions on Applied Superconductivity

Missert, Nancy; Kotula, Paul G.; Rye, Michael J.; Rehm, Laura; Sluka, Volker; Kent, Andrew D.; Yohannes, Daniel; Kirichenko, Alex F.; Vernik, Igor V.; Mukhanov, Oleg A.; Bolkhovsky, Vladimir; Wynn, Alex; Johnson, Leonard; Gouker, Mark

A focused ion beam was used to obtain cross-sectional specimens from both magnetic multilayer and Nb/Al-AlOx/Nb Josephson junction devices for characterization by scanning transmission electron microscopy (STEM) and energy dispersive X-ray spectroscopy (EDX). Automated multivariate statistical analysis of the EDX spectral images produced chemically unique component images of individual layers within the multilayer structures. STEM imaging elucidated distinct variations in film morphology, interface quality, and/or etch artifacts that could be correlated to magnetic and/or electrical properties measured on the same devices.

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Challenges in reducing the computational time of QSTS simulations for distribution system analysis

Deboever, Jeremiah; Zhang, Xiaochen; Reno, Matthew J.; Broderick, Robert J.; Grijalva, Santiago; Therrien, Francis

The rapid increase in penetration of distributed energy resources on the electric power distribution system has created a need for more comprehensive interconnection modelling and impact analysis. Unlike conventional scenario - based studies , quasi - static time - series (QSTS) simulation s can realistically model time - dependent voltage controllers and the diversity of potential impacts that can occur at different times of year . However, to accurately model a distribution system with all its controllable devices, a yearlong simulation at 1 - second resolution is often required , which could take conventional computers a computational time of 10 to 120 hours when an actual unbalanced distribution feeder is modeled . This computational burden is a clear l imitation to the adoption of QSTS simulation s in interconnection studies and for determining optimal control solutions for utility operations . Our ongoing research to improve the speed of QSTS simulation has revealed many unique aspects of distribution system modelling and sequential power flow analysis that make fast QSTS a very difficult problem to solve. In this report , the most relevant challenges in reducing the computational time of QSTS simulations are presented: number of power flows to solve, circuit complexity, time dependence between time steps, multiple valid power flow solutions, controllable element interactions, and extensive accurate simulation analysis.

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Measuring the radiative properties of astrophysical matter using the Z x-ray source

Bailey, James E.; Nagayama, Taisuke; Loisel, Guillaume P.; Rochau, G.A.; Blancard, C.; Colgan, J.; Cosse, Ph; Faussurier, G.; Fontes, C.J.; Gilleron, F.; Golovkin, I.; Hansen, Stephanie B.; Iglesias, C.A.; Kilcrease, D.P.; Macfarlane, Joseph J.; Mancini, Roberto C.; Nahar, S.N.; Orban, C.; Pain, J.C.; Pradhan, A.K.; Sherrill, M.; Wilson, B.G.

Abstract not provided.

One Year Performance Results for the Prism Solar Installation at the New Mexico Regional Test Center: Field Data from February 15 2016 - February 14 2017

Stein, Joshua; Burnham, Laurie; Lave, Matt

A 9.6 kW test array of Prism bifacial modules and reference monofacial modules installed in February 2016 at the New Mexico Regional Test Center has produced one year of performance data. The data reveal that the Prism modules are out-performing the monofacial modules, with bifacial gains in energy over the twelve-month period ranging from 17% to 132%, depending on the orientation and ground albedo. These measured bifacial gains were found to be in good agreement with modeled bifacial gains using equations previously published by Prism Solar. The most dramatic increase in performance was seen among the vertically mounted, west-facing modules, where the bifacial modules produced more than double the energy of monofacial modules in the same orientation. Because peak energy generation (mid- morning and mid-afternoon) for these bifacial modules may best match load on the electric grid, the west-facing orientation may be more economically desirable than traditional south-facing module orientations (which peak at solar noon).

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Calendar Year 2016 Annual Groundwater Monitoring Report

Copland, John R.; Jackson, Timmie O.; Li, Jun; Mitchell, Michael M.; Skelly, Michael

Sandia National Laboratories, New Mexico (SNL/NM) is a government-owned/contractoroperated laboratory. National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., manages and operates SNL/NM for the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA). The DOE/NNSA Sandia Field Office administers the contract and oversees contractor operations at the site. Two types of groundwater surveillance monitoring are conducted at SNL/NM: (1) on a site-wide basis as part of the SNL/NM Long-Term Stewardship (LTS) Program’s Groundwater Monitoring Program (GMP) Groundwater Surveillance Task and (2) on a site-specific groundwater monitoring at LTS/Environmental Restoration (ER) Operations sites with ongoing groundwater investigations. This Annual Groundwater Monitoring Report summarizes data collected during groundwater monitoring events conducted at GMP locations and at the following SNL/NM sites through December 31, 2016: Burn Site Groundwater Area of Concern (AOC); Chemical Waste Landfill; Mixed Waste Landfill; Technical Area-V Groundwater AOC; and the Tijeras Arroyo Groundwater AOC. Environmental monitoring and surveillance programs are required by the New Mexico Environment Department (NMED) and DOE Order 436.1, Departmental Sustainability, and DOE Order 231.1B, Environment, Safety, and Health Reporting.

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Radiological NESHAP ANNUAL REPORT CY 2016

Evelo, Stacie

This report provides a summary of the radionuclide releases from the United States (U.S.) Department of Energy (DOE) National Nuclear Security Administration facilities at Sandia National Laboratories, New Mexico (SNL/NM) during Calendar Year (CY) 2016, including the data, calculations, and supporting documentation for demonstrating compliance with 40 Code of Federal Regulation (CFR) 61, Subpart H--NATIONAL EMISSION STANDARDS FOR EMISSIONS OF RADIONUCLIDES OTHER THAN RADON FROM DEPARTMENT OF ENERGY FACILITIES (Radiological NESHAP). A description is given of the sources and their contributions to the overall dose assessment. In addition, the maximally exposed individual (MEI) radiological dose calculation and the population dose to local and regional residents are discussed.

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Results 35201–35400 of 99,299
Results 35201–35400 of 99,299