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Concurrent multiscale modeling of microstructural effects on localization behavior in finite deformation solid mechanics

Computational Mechanics

Alleman, Coleman; Bays, Nathan R.; Mota, Alejandro; Lim, Hojun; Littlewood, David J.

The heterogeneity in mechanical fields introduced by microstructure plays a critical role in the localization of deformation. To resolve this incipient stage of failure, it is therefore necessary to incorporate microstructure with sufficient resolution. On the other hand, computational limitations make it infeasible to represent the microstructure in the entire domain at the component scale. In this study, the authors demonstrate the use of concurrent multiscale modeling to incorporate explicit, finely resolved microstructure in a critical region while resolving the smoother mechanical fields outside this region with a coarser discretization to limit computational cost. The microstructural physics is modeled with a high-fidelity model that incorporates anisotropic crystal elasticity and rate-dependent crystal plasticity to simulate the behavior of a stainless steel alloy. The component-scale material behavior is treated with a lower fidelity model incorporating isotropic linear elasticity and rate-independent J2 plasticity. The microstructural and component scale subdomains are modeled concurrently, with coupling via the Schwarz alternating method, which solves boundary-value problems in each subdomain separately and transfers solution information between subdomains via Dirichlet boundary conditions. In this study, the framework is applied to model incipient localization in tensile specimens during necking.

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Analyzing the threat of unmanned aerial vehicles (UAV) to nuclear facilities

Security Journal

Williams, Adam D.

Unmanned aerial vehicles (UAV) are among the major growing technologies that have many beneficial applications, yet they can also pose a significant threat. Recently, several incidents occurred with UAVs violating privacy of the public and security of sensitive facilities, including several nuclear power plants in France. The threat of UAVs to the security of nuclear facilities is of great importance and is the focus of this work. This paper presents an overview of UAV technology and classification, as well as its applications and potential threats. We show several examples of recent security incidents involving UAVs in France, USA, and United Arab Emirates. Further, the potential threats to nuclear facilities and measures to prevent them are evaluated. The importance of measures for detection, delay, and response (neutralization) of UAVs at nuclear facilities are discussed. An overview of existing technologies along with their strength and weaknesses are shown. Finally, the results of a gap analysis in existing approaches and technologies is presented in the form of potential technological and procedural areas for research and development. Based on this analysis, directions for future work in the field can be devised and prioritized.

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Development of a New Method to Investigate the Dynamic Friction Behavior of Interfaces Using a Kolsky Tension Bar

Experimental Mechanics

Sanborn, Brett; Song, Bo; Nishida, E.

To understand interfacial interaction of a bi-material during an impact loading event, the dynamic friction coefficient is one of the key parameters that must be characterized and quantified. In this study, a new experimental method to determine the dynamic friction coefficient between two metals was developed by using a Kolsky tension bar and a custom-designed friction fixture. Polyvinylidene fluoride (PVDF) force sensors were used to measure the normal force applied to the friction tribo pairs and the friction force was measured with conventional Kolsky tension bar method. To evaluate the technique, the dynamic friction coefficient between 4340 steel and 7075-T6 aluminum was investigated at an impact speed of approximately 8 m/s. In addition, the dynamic friction coefficient of the tribo pairs with varied surface roughness was also investigated. The data suggest that higher surface roughness leads to higher friction coefficients at the same speed of 8 m/s.

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Observation of the Kaiser Effect Using Noble Gas Release Signals

Rock Mechanics and Rock Engineering

Bauer, Stephen

The Kaiser effect is a stress memory phenomenon which has most often been demonstrated in rock using acoustic emissions. During cyclic loading–unloading–reloading, the acoustic emissions are near zero until the load exceeds the level of the previous load cycle. Researchers explore the Kaiser effect in rock using real-time noble gas release. Laboratory studies using real-time mass spectrometry measurements during deformation have quantified, to a degree, the types of gases released, degree, the types of gases released (Bauer et al. 2016a, b), their release rates and amounts during deformation, estimates of permeability created from pore structure modifications during deformation and the impact of mineral plasticity upon gas release. Its observed that noble gases contained in brittle crystalline rock are readily released during deformation.

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The benefits of grid-scale storage on Oahu

Journal of Energy Storage

Ellison, James; Rashkin, Lee J.; Serio, Joseph; Byrne, Raymond H.

The Hawaiian Electric Company intends to procure grid-scale Battery Energy Storage System (“BESS”) capacity. The purpose of this study is to determine whether providing contingency reserve or time-of-day shifting is of more benefit to the Oahu grid, and to better understand the relationship between BESS size and level of benefit. This is an independent study by Sandia, and is not being used to support the regulatory case for BESS capacity by Hawaiian Electric. The study team created a production cost model of the Oahu grid using data primarily from the Hawaiian Electric Company. The proposed BESS supplied contingency reserve in one set of runs and time-of-day shifting in another. Supplying contingency reserve led to larger savings than time-of-day energy shifting. Assuming a renewable reserve and a quick-start reserve, and $15/MMBtu for Low-Sulphur Fuel Oil, the 50-MW/25-MWh, 100-MW/50-MWh, and 150-MW/75-MWh systems supplying contingency reserve provided, respectively, savings of 9.6, 15.6, and 18.3 million USD over system year 2018. Over the range of fuel prices tested, these cost savings were found to be directly proportional to the cost of fuel. As the focus is the operational benefit of BESS capacity, the capacity value of the BESS was not included in benefit calculations.

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Behavior of the maximum likelihood in quantum state tomography

New Journal of Physics

Scholten, Travis L.; Blume-Kohout, Robin

Quantum state tomography on a d-dimensional system demands resources that grow rapidly with d. They may be reduced by using model selection to tailor the number of parameters in the model (i.e., the size of the density matrix). Most model selection methods typically rely on a test statistic and a null theory that describes its behavior when two models are equally good. Here, we consider the loglikelihood ratio. Because of the positivity constraint ρ ≥ 0, quantum state space does not generally satisfy local asymptotic normality (LAN), meaning the classical null theory for the loglikelihood ratio (the Wilks theorem) should not be used. Thus, understanding and quantifying how positivity affects the null behavior of this test statistic is necessary for its use in model selection for state tomography. We define a new generalization of LAN, metric-projected LAN, show that quantum state space satisfies it, and derive a replacement for the Wilks theorem. In addition to enabling reliable model selection, our results shed more light on the qualitative effects of the positivity constraint on state tomography.

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Nanorheology of Entangled Polymer Melts

Physical Review Letters

Ge, Ting; Rubinstein, Michael; Grest, Gary S.

We use molecular simulations to probe the local viscoelasticity of an entangled polymer melt by tracking the motion of embedded nonsticky nanoparticles (NPs). As in conventional microrheology, the generalized Stokes-Einstein relation is employed to extract an effective stress relaxation function GGSE(t) from the mean square displacement of NPs. GGSE(t) for different NP diameters d are compared with the stress relaxation function G(t) of a pure polymer melt. The deviation of GGSE(t) from G(t) reflects the incomplete coupling between NPs and the dynamic modes of the melt. For linear polymers, a plateau in GGSE(t) emerges as d exceeds the entanglement mesh size a and approaches the entanglement plateau in G(t) for a pure melt with increasing d. For ring polymers, as d increases towards the spanning size R of ring polymers, GGSE(t) approaches G(t) of the ring melt with no entanglement plateau.

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Volumetric calibration of a plenoptic camera

Applied Optics

Hall, Elise M.; Fahringer, Timothy W.; Guildenbecher, Daniel R.; Thurow, Brian S.

The volumetric calibration of a plenoptic camera is explored to correct for inaccuracies due to real-world lens distortions and thin-lens assumptions in current processing methods. Two methods of volumetric calibration based on a polynomial mapping function that does not require knowledge of specific lens parameters are presented and compared to a calibration based on thin-lens assumptions. The first method, volumetric dewarping, is executed by creation of a volumetric representation of a scene using the thin-lens assumptions, which is then corrected in post-processing using a polynomial mapping function. The second method, direct light-field calibration, uses the polynomial mapping in creation of the initial volumetric representation to relate locations in object space directly to image sensor locations. The accuracy and feasibility of these methods is examined experimentally by capturing images of a known dot card at a variety of depths. Results suggest that use of a 3D polynomial mapping function provides a significant increase in reconstruction accuracy and that the achievable accuracy is similar using either polynomial-mapping-based method. Additionally, direct light-field calibration provides significant computational benefits by eliminating some intermediate processing steps found in other methods. Finally, the flexibility of this method is shown for a nonplanar calibration.

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Radical Thermometers, Thermochemistry, and Photoelectron Spectra: A Photoelectron Photoion Coincidence Spectroscopy Study of the Methyl Peroxy Radical

Journal of Physical Chemistry Letters

Voronova, Krisztina; Ervin, Kent M.; Torma, Krisztian G.; Hemberger, Patrick; Bodi, Andras; Gerber, Thomas; Osborn, David L.; Sztaray, Balint

We investigated the simplest alkylperoxy radical, CH3OO, formed by reacting photolytically generated CH3 radicals with O2, using the new combustion reactions followed by photoelectron photoion coincidence (CRF-PEPICO) apparatus at the Swiss Light Source. Modeling the experimental photoion mass-selected threshold photoelectron spectrum using Franck-Condon simulations including transitions to triplet and singlet cationic states yielded the adiabatic ionization energy of 10.265 ± 0.025 eV. Dissociative photoionization of CH3OO generates the CH3+ fragment ion at the appearance energy of 11.164 ± 0.010 eV. Combining these two values with ΔfH0K°(CH3) yields ΔfH0K°(CH3OO) = 22.06 ± 0.97 kJ mol-1, reducing the uncertainty of the previously determined value by a factor of 5. Statistical simulation of the CH3OO breakdown diagram provides a molecular thermometer of the free radical's internal temperature, which we measured to be 330 ± 30 K.

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Phase conjugate digital inline holography (PCDIH)

Optics Letters

Guildenbecher, Daniel R.; Gabet Hoffmeister, Kathryn N.; Kunzler, William M.; Richardson, Daniel R.; Kearney, Sean P.

Digital inline holography (DIH) provides instantaneous three-dimensional (3D) measurements of diffracting objects; however, phase disturbances in the beam path can distort the imaging. In this Letter, a phase conjugate digital inline holography (PCDIH) configuration is proposed for removal of phase disturbances. Brillouin-enhanced four-wave mixing produces a phase conjugate signal that back propagates along the DIH beam path. The results demonstrate the removal of distortions caused by gas-phase shocks to recover 3D images of diffracting objects.

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Path Finding for Maximum Value of Information in Multi-Modal Underwater Wireless Sensor Networks

IEEE Transactions on Mobile Computing

Gjanci, Petrika; Petrioli, Chiara; Basagni, Stefano; Phillips, Cynthia A.; Turgut, Damla

We consider underwater multi-modal wireless sensor networks (UWSNs) suitable for applications on submarine surveillance and monitoring, where nodes offload data to a mobile autonomous underwater vehicle (AUV) via optical technology, and coordinate using acoustic communication. Sensed data are associated with a value, decaying in time. In this scenario, we address the problem of finding the path of the AUV so that the Value of Information (VoI) of the data delivered to a sink on the surface is maximized. We define a Greedy and Adaptive AUV Path-finding (GAAP) heuristic that drives the AUV to collect data from nodes depending on the VoI of their data. For benchmarking the performance of AUV path-finding heuristics, we define an integer linear programming (ILP) formulation that accurately models the considered scenario, deriving a path that drives the AUV to collect and deliver data with the maximum VoI. In our experiments GAAP consistently delivers more than 80 percent of the theoretical maximum VoI determined by the ILP model. We also compare the performance of GAAP with that of other strategies for driving the AUV among sensing nodes, namely, random paths, TSP-based paths and a 'lawn mower'-like strategy. Our results show that GAAP always outperforms every other heuristic in terms of delivered VoI, also obtaining higher energy efficiency.

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Pendant/bridged/mesoporous silsesquioxane nanoparticles: Versatile and biocompatible platforms for smart delivery of therapeutics

Chemical Engineering Journal

Brinker, C.J.; Bays, Nathan R.

Silsesquioxane nanoparticles are composed of repetitive organosilica fragments in their frameworks and are now recognized to have outstanding functional fertility. Depending on the organosilane and the synthetic pathways, silsesquioxane NPs can be pendant, bridged, dense or porous. Recently the diverse functionalities of mesoporous silsesquioxane nanoparticles have been exploited for the sake of drug-related biomedicine. Fine-tuning the silsesquioxane nanoparticles characteristics allow not only a superior retention capacity of therapeutics without the need of any further modification, but also a controlled release through various environmentally-stimulated triggers. Furthermore, the main focus of the present review is to highlight the different types of silsesquioxane nanoparticles and their exceptional features focused on controlled delivery of drugs, proteins, antibodies and DNA through pH, redox or light stimuli.

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Minimizing scatter-losses during pre-heat for magneto-inertial fusion targets

Physics of Plasmas

Geissel, Matthias; Harvey-Thompson, Adam J.; Awe, Thomas J.; Bliss, David E.; Glinsky, Michael E.; Gomez, Matthew R.; Harding, Eric; Hansen, Stephanie B.; Speas, Christopher S.; Kimmel, Mark; Knapp, P.F.; Lewis, Sean M.; Peterson, K.J.; Schollmeier, Marius; Schwarz, Jens; Shores, Jonathon; Slutz, Stephen A.; Sinars, Daniel; Smith, Ian C.; Vesey, Roger A.; Weis, Matthew R.; Porter, John L.

The size, temporal and spatial shape, and energy content of a laser pulse for the pre-heat phase of magneto-inertial fusion affect the ability to penetrate the window of the laser-entrance-hole and to heat the fuel behind it. High laser intensities and dense targets are subject to laser-plasma-instabilities (LPI), which can lead to an effective loss of pre-heat energy or to pronounced heating of areas that should stay unexposed. While this problem has been the subject of many studies over the last decades, the investigated parameters were typically geared towards traditional laser driven Inertial Confinement Fusion (ICF) with densities either at 10% and above or at 1% and below the laser's critical density, electron temperatures of 3-5 keV, and laser powers near (or in excess of) 1 × 1015 W/cm2. In contrast, Magnetized Liner Inertial Fusion (MagLIF) [Slutz et al., Phys. Plasmas 17, 056303 (2010) and Slutz and Vesey, Phys. Rev. Lett. 108, 025003 (2012)] currently operates at 5% of the laser's critical density using much thicker windows (1.5-3.5 μm) than the sub-micron thick windows of traditional ICF hohlraum targets. This article describes the Pecos target area at Sandia National Laboratories using the Z-Beamlet Laser Facility [Rambo et al., Appl. Opt. 44(12), 2421 (2005)] as a platform to study laser induced pre-heat for magneto-inertial fusion targets, and the related progress for Sandia's MagLIF program. Forward and backward scattered light were measured and minimized at larger spatial scales with lower densities, temperatures, and powers compared to LPI studies available in literature.

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A Future with Quantum Machine Learning

Computer

Debenedictis, Erik

Could combining quantum computing and machine learning with Moore's law produce a true 'rebooted computer'? This article posits that a three-technology hybrid-computing approach might yield sufficiently improved answers to a broad class of problems such that energy efficiency will no longer be the dominant concern.

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Measuring the soot onset temperature in high-pressure n-dodecane spray pyrolysis

Combustion and Flame

Skeen, Scott A.; Yasutomi, Koji

Soot formation in pyrolyzing sprays of n-dodecane is visualized and quantified in a high-pressure, high-temperature, constant-volume spray chamber at 38 bar, 76 bar, and 114 bar. Sprays of n-dodecane are injected at 500 bar from a single-hole, 186-µm orifice diameter fuel injector. We quantify the temporal evolution of the soot optical thickness and the total soot mass formed in the pyrolyzing sprays using a high-speed extinction imaging diagnostic. The vessel ambient temperature and pressure are varied independently to identify the soot onset temperature for n-dodecane pyrolysis. Linear extrapolation of the maximum soot formation rates as a function of ambient temperature reveals a soot onset temperature near 1450 K. The onset temperature determined here for n-dodecane is within 50 K of those previously measured along the centerline of atmospheric pressure coflow diffusion flames for smaller alkane fuels.

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Geometric Hitting Set for Segments of Few Orientations

Theory of Computing Systems

Fekete, Sandor P.; Huang, Kan; Mitchell, Joseph S.B.; Parekh, Ojas D.; Phillips, Cynthia A.

We study several natural instances of the geometric hitting set problem for input consisting of sets of line segments (and rays, lines) having a small number of distinct slopes. These problems model path monitoring (e.g., on road networks) using the fewest sensors (the “hitting points”). We give approximation algorithms for cases including (i) lines of 3 slopes in the plane, (ii) vertical lines and horizontal segments, (iii) pairs of horizontal/vertical segments. We give hardness and hardness of approximation results for these problems. We prove that the hitting set problem for vertical lines and horizontal rays is polynomially solvable.

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Unraveling the Semiconducting/Metallic Discrepancy in Ni3(HITP)2

Journal of Physical Chemistry Letters

Foster, Michael E.; Allendorf, Mark D.

Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2 is a π-stacked layered metal-organic framework material with extended π-conjugation that is analogous to graphene. Published experimental results indicate that the material is semiconducting, but all theoretical studies to date predict the bulk material to be metallic. Given that previous experimental work was carried out on specimens containing complex nanocrystalline microstructures and the tendency for internal interfaces to introduce transport barriers, we apply DFT to investigate the influence of internal interface defects on the electronic structure of Ni3(HITP)2. The results show that interface defects can introduce a transport barrier by breaking the π-conjugation and/or decreasing the dispersion of the electronic bands near the Fermi level. We demonstrate that the presence of defects can open a small gap, in the range of 15-200 meV, which is consistent with the experimentally inferred hopping barrier.

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The structure and propagation of laminar flames under autoignitive conditions

Combustion and Flame

Krisman, Alex; Hawkes, Evatt R.; Chen, Jacqueline H.

The laminar flame speed sl is an important reference quantity for characterising and modelling combustion. Experimental measurements of laminar flame speed require the residence time of the fuel/air mixture (τf) to be shorter than the autoignition delay time (τ). This presents a considerable challenge for conditions where autoignition occurs rapidly, such as in compression ignition engines. As a result, experimental measurements in typical compression ignition engine conditions do not exist. Simulations of freely propagating premixed flames, where the burning velocity is found as an eigenvalue of the solution, are also not well posed in such conditions, since the mixture ahead of the flame can autoignite, leading to the so called “cold boundary problem”. Here, a numerical method for estimating a reference flame speed, sR, is proposed that is valid for laminar flame propagation at autoignitive conditions. Two isomer fuels are considered to test this method: ethanol, which in the considered conditions is a single-stage ignition fuel; and dimethyl ether, which has a temperature-dependent single- or two-stage ignition and a negative temperature coefficient regime for τ. Calculations are performed for the flame position in a one-dimensional computational domain with inflow-outflow boundary conditions, as a function of the inlet velocity UI and for stoichiometric fuel–air premixtures. The response of the flame position, LF, to UI shows distinct stabilisation regimes. For single-stage ignition fuels, at low UI the flame speed exceeds UI and the flame becomes attached to the inlet. Above a critical UI value, the flame detaches from the inlet and Lf becomes extremely sensitive to UI until, for sufficiently high UI, the sensitivity decreases and Lf corresponds to the location expected from a purely autoignition stabilised flame. The transition from the attached to the autoignition regimes has a corresponding peak dLf/dUI value which is proposed to be a unique reference flame speed sR for single-stage ignition fuels. For two-stage ignition fuels, there is an additional stable regime where a high-temperature flame propagates into a pool of combustion intermediates generated by the first stage of autoignition. This results in two peaks in dLf/dUI and therefore two reference flame speed values. The lower value corresponds to the definition of sR for single-stage ignition fuels, while the higher value exists only for two-stage ignition fuels and corresponds to a high temperature flame propagating into the first stage of autoignition and is denoted sR′. A transport budget analysis for low- and high-temperature radical species is also performed, which confirms that the flame structures at UI=sR and UI=sR′ do indeed correspond to premixed flames (deflagrations), as opposed to spontaneous ignition fronts which do not have a unique propagation speed.

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Hardware Evaluation: Abstract Machine Models and Proxy Architectures for Exascale Computing

Bair, Ray; Chien, Andrew; Cook, Jeanine; Donofrio, Dave; Grider, Gary; Kuehn, Jeff; Moore, Shirley; Shalf, John; Vetter, Jeff

The strategic and economic impacts of high performance computing (HPC) systems, over the last several decades, have enabled dramatic improvements in manufacturing, design, development, and research, across almost every sector of the U.S. economy, including genetic analysis for agriculture and medicine, oil exploration, electronics, aircraft, and automotive design, and of course national defense technologies. HPC has repeatedly compounded reductions in time-to-solution and time-to-market in each of these areas. In recognition of these strategic and economic impacts, the Department of Energy (DOE) created the Exascale Computing Project (ECP) as a broad-based technology project focusing on simultaneously co-evolving high-performance computing architecture, system software, and application software. While many details of the exascale architectures are undefined, communicating the form and direction of this co-evolution of advances, in each of these three components, across the project, presents a need for a common language through which these advances can be shared. In this document we present a series of abstract representations designed to allow application developers to focus on the aspects of the machine that are important or relevant to performance and code structure. These abstract machine models (AMMs) describe the proposed architectures at the component and system level and are intended as communication aids between application developers and hardware architects during the co-design process. In addition to providing a common language for communication, the constraints of protecting the intellectual property of ECP’s vendor partners requires that the architectural advances be presented in an abstract sense, rather than exposing the specifics of an individual vendor’s designs, while still providing enough detail such that application developers will be able to reason about the performance trade-offs in the design space of their applications.

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Submittal of Solid Waste Management Units and Areas of Concern Annual Long-Term Monitoring and Maintenance Report for Calendar Year 2017

Dotson, Patrick W.; Little, Bonnie C.

This SWMU and AOC Annual Long-Term Monitoring and Maintenance (LTMM) Report for Calendar Year 2017 (Annual LTMM Report) details the measures performed for 21 Solid Waste Management Units (SWMUs) and Areas of Concern (AOCs) at Sandia National Laboratories/New Mexico (SNL/NM) in accordance with the requirements of the “Long-Term Monitoring and Maintenance [LTMM] Plan for SWMUs and AOCs Granted Corrective Action Complete with Controls” in Attachment M of the Resource Conservation and Recovery Act Facility Operating Permit (Permit), which took effect February 26, 2015. This Annual LTMM Report does not present the measures for SWMU 76, Mixed Waste Landfill (MWL), as the applicable MWL reporting adheres to the approved MWL LTMM Plan, Section 4.8.1 and requires a separate annual report which will be submitted to the New Mexico Environment Department by June 30, 2018. Measures at these SWMUs and AOCs include surveillance of site conditions and maintenance of institutional controls. Conditions requiring maintenance or repair activities were identified at three of the inspected SWMUs and AOCs (SWMUs 45, 46, and 87) during the Permit-required annual site inspections. One SWMU identification sign located at SWMU 46 and two identification signs located at SWMU 87 were replaced due to weathered lettering. Evidence of erosion was observed at SWMU 45 during the annual site inspection; erosion controls will be implemented as needed to prevent the inadvertent exposure of hazardous wastes or hazardous waste constituents. SWMU 45 is located on the sloped border of Tijeras Arroyo south of Technical Area-IV. The erosion controls planned for the Tijeras Arroyo Escarpment will address not only SWMU 45, but also SWMUs 46 and 229 as a best management practice. SNL/NM personnel plan to complete this work in calendar year 2018. The status and progress of this project will be reported in the 2018 Annual SWMUs and AOCs Annual LTMM Report for Calendar Year 2018 to be submitted to the New Mexico Environment Department on March 31, 2019, as required by the Permit. Based upon the inspections performed and site conditions observed, the administrative and physical institutional controls in place at the SWMUs and AOCs are effectively providing continued protection of human health and the environment.

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Interface Reactions Responsible for Run-Out in Active Brazing: Part 1

Welding Journal

Vianco, Paul T.; Walker, Charles; De Smet, Dennis; Kilgo, Alice C.; Mckenzie, Bonnie; Grant, Richard P.

The run-out phenomenon was observed in Ag-Cu-Zr active braze joints made between the alumina ceramic and Kovar™ base material. Run-out introduces a significant yield loss by generating functional and/or cosmetic defects in brazements. A prior study identified a correlation between run-out and the aluminum (Al) released by the reduction/oxidation and the latter’s reaction with the Kovar™ base material. A study was undertaken to understand the fundamental principles of run-out by examining the interface reaction between Ag-xAl filler metals (x=2, 5, and 10 wt.%) and Kovar™ base material. Sessile drop samples were fabricated using brazing temperatures of 965°C or 995°C and times of 5 min or 20 min. The correlation was made between the degree of wetting-and-spreading by the sessile drops and the run-out phenomenon. Wetting-and-spreading increased with Al content (x) of the Ag-xAl filler metal, but was largely insensitive to the brazing process parameters. The increased Al concentration resulted in higher Al contents of the (Fe, Ni, Co)xAly reaction layer. Run-out was predicted when the filler metal has a locally-elevated, Al content exceeding 2 – 5 wt.%. Lastly, several mitigation strategies were proposed, based upon these findings.

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Demonstrating the Value of Human Factors for Process Design in a Controlled Experiment

See, Judi E.

A controlled between-groups experiment was conducted to demonstrate the value of human factors for process design. Most evidence to convey the benefits of human factors is derived from reactive studies of existing flawed systems designed with little or no human factors involvement. Controlled experiments conducted explicitly to demonstrate the benefits of human factors have been scarce since the 1990s. Further, most previous research focused on product or interface design as opposed to process design. The present study was designed to fill these research gaps. Toward that end, 24 Sandia National Laboratories employees completed a simple visual inspection task simulating receipt inspection. The experimental group process was designed to conform to human factors and visual inspection principles, whereas the control group process was designed without consideration of such principles. Results indicated the experimental group exhibited superior performance accuracy, lower workload, and more favorable usability ratings as compared to the control group. Given the differences observed in the simple task used in the present study, the author concluded that incorporating human factors should have even greater benefits for complex products and processes. The study provides evidence to help human factors practitioners revitalize the critical message regarding the benefits of human factors involvement for a new generation of designers.

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JUBA (Joint UAS-Balloon Activities) Final Campaign Report

Dexheimer, Darielle N.; Apple, Monty; Callow, Diane S.; Longbottom, Casey; Novick, David; Wilson, Christopher W.

Using internal investment funds within Sandia National Laboratories’ (SNL) Division 6000, JUBA was a collaborative exercise between SNL Orgs. 6533 & 6913 (later 8863) to demonstrate simultaneous flights of tethered balloons and UAS on the North Slope of Alaska. JUBA UAS and tethered balloon flights were conducted within the Restricted Airspace associated with the ARM AMF3 site at Oliktok Point, Alaska. The Restricted Airspace occupies a 2 nautical mile radius around Oliktok Point. JUBA was conducted at the Sandia Arctic Site, which is approximately 2 km east-southeast of the AMF3. JUBA activities occurred from 08/08/17 – 08/10/17. Atmospheric measurements from tethered balloons can occur for a long duration, but offer limited spatial variation. Measurements from UAS could offer increased spatial variability.

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Advanced Light-Duty SI Engine Fuels Research: Multiple Optical Diagnostics of Well-mixed and Stratified Operation

Sjoberg, Carl M.; Vuilleumier, David

Ever tighter fuel economy standards and concerns about energy security motivate efforts to improve engine efficiency and to develop alternative fuels. This project contributes to the science base needed by industry to develop highly efficient direct injection spark ignition (DISI) engines that also beneficially exploit the different properties of alternative fuels. Here, the emphasis is on lean operation, which can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, the focus is on techniques that can overcome these challenges. Specifically, fuel stratification is used to ensure ignition and completeness of combustion but this technique has soot and NOx emissions challenges. For ultra-lean well-mixed operation, turbulent deflagration can be combined with controlled end-gas autoignition to render mixed-mode combustion for sufficiently fast heat release. However, such mixed-mode combustion requires very stable inflammation, motivating studies on the effects of near-spark flow and turbulence, and the use of small amounts of fuel stratification near the spark plug.

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Alternative Fuels DISI Engine Research ? Autoignition Metrics

Sjoberg, Carl M.; Vuilleumier, David

Improved engine efficiency is required to comply with future fuel economy standards. Alternative fuels have the potential to enable more efficient engines while addressing concerns about energy security. This project contributes to the science base needed by industry to develop highly efficient direct injection spark igniton (DISI) engines that also beneficially exploit the different properties of alternative fuels. Here, the emphasis is on quantifying autoignition behavior for a range of spark-ignited engine conditions, including directly injected boosted conditions. The efficiency of stoichiometrically operated spark ignition engines is often limited by fuel-oxidizer end-gas autoignition, which can result in engine knock. A fuel’s knock resistance is assessed empirically by the Research Octane Number (RON) and Motor Octane Number (MON) tests. By clarifying how these two tests relate to the autoignition behavior of conventional and alternative fuel formulations, fuel design guidelines for enhanced engine efficiency can be developed.

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Revised Tijeras Arroyo Groundwater Current Conceptual Model and Corrective Measures Evaluation Report - February 2018

Copland, John R.

The U.S. Department of Energy (DOE) and the management and operating (M&O) contractor for Sandia National Laboratories beginning on May 1, 2017, National Technology & Engineering Solutions of Sandia, LLC (NTESS), hereinafter collectively referred to as DOE/NTESS, prepared this Revised Tijeras Arroyo Groundwater Current Conceptual Model (CCM) and Corrective Measures Evaluation (CME) Report , referred to as the Revised CCM/CME Report, to meet requirements under the Sandia National Laboratories-New Mexico (SNL/NM) Compliance Order on Consent (Consent Order). The Consent Order became effective on April 29, 2004. The Consent Order identifies the Tijeras Arroyo Groundwater (TAG) Area of Concern (AOC) as an area of groundwater contamination requiring further characterization and corrective action. In November 2004, New Mexico Environment Department (NMED) approved the July 2004 CME Work Plan. In April 2005, DOE and the SNL M&O contractor at the time, Sandia Corporation (Sandia), hereinafter collectively referred to as DOE/Sandia, submitted a CME Report, but NMED did not finalize review of that document. In December 2016, DOE/Sandia submitted a combined and updated CCM/CME Report. NMED issued a disapproval letter in May 2017 that included comments on the December 2016 CCM/CME Report. In August 2017, NMED and DOE/NTESS staff held a meeting to discuss and clarify outstanding issues. This Revised CCM/CME Report addresses (1) the issues presented in the NMED May 2017 disapproval letter and (2) findings from the August 2017 meeting.

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Development of a MELCOR Sodium Chemistry (NAC) Package - FY17 Progress

Bays, Nathan R.; Humphries, Larry L.

This report describes the status of the development of MELCOR Sodium Chemistry (NAC) package. This development is based on the CONTAIN-LMR sodium physics and chemistry models to be implemented in MELCOR. In the past three years, the sodium equation of state as a working fluid from the nuclear fusion safety research and from the SIMMER code has been implemented into MELCOR. The chemistry models from the CONTAIN-LMR code, such as the spray and pool fire mode ls, have also been implemented into MELCOR. This report describes the implemented models and the issues encountered. Model descriptions and input descriptions are provided. Development testing of the spray and pool fire models is described, including the code-to-code comparison with CONTAIN-LMR. The report ends with an expected timeline for the remaining models to be implemented, such as the atmosphere chemistry, sodium-concrete interactions, and experimental validation tests .

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Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions

Wang, Yifeng

Shale is characterized by the predominant presence of nanometer-scale (1-100 nm) pores. The behavior of fluids in those pores directly controls shale gas storage and release in shale matrix and ultimately the wellbore production in unconventional reservoirs. Recently, it has been recognized that a fluid confined in nanopores can behave dramatically differently from the corresponding bulk phase due to nanopore confinement (Wang, 2014). CO2 and H2O, either preexisting or introduced, are two major components that coexist with shale gas (predominately CH4) during hydrofracturing and gas extraction. Note that liquid or supercritical CO2 has been suggested as an alternative fluid for subsurface fracturing such that CO2 enhanced gas recovery can also serve as a CO2 sequestration process. Limited data indicate that CO2 may preferentially adsorb in nanopores (particularly those in kerogen) and therefore displace CH4 in shale. Similarly, the presence of water moisture seems able to displace or trap CH4 in shale matrix. Therefore, fundamental understanding of CH4-CO2-H2O behavior and their interactions in shale nanopores is of great importance for gas production and the related CO2 sequestration. This project focuses on the systematic study of CH4-CO2-H2O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.

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Corrective Action Management Unit Report of Post-Closure Care Activities Calendar Year 2017

Ziock, Robert; Little, Bonnie C.

The Corrective Action Management Unit (CAMU) at Sandia National Laboratories, New Mexico (SNL/NM) consists of a containment cell and ancillary systems that underwent regulatory closure in 2003 in accordance with the Closure Plan in Appendix D of the Class 3 Permit Modification (SNL/NM September 1997). The containment cell was closed with wastes in place. On January 27, 2015, the New Mexico Environment Department (NMED) issued the Hazardous Waste Facility Operating Permit (Permit) for Sandia National Laboratories (NMED January 2015). The Permit became effective February 26, 2015. The CAMU is undergoing post-closure care in accordance with the Permit, as revised and updated. This CAMU Report of Post-Closure Care Activities documents all activities and results for Calendar Year (CY) 2017 as required by the Permit. The CAMU containment cell consists of engineered barriers including a cover system, a bottom liner with a leachate collection and removal system (LCRS), and a vadose zone monitoring system (VZMS). The VZMS provides information on soil conditions under the cell for early leak detection. The VZMS consists of three monitoring subsystems, which include the primary subliner (PSL), a vertical sensor array (VSA), and the Chemical Waste Landfill (CWL) sanitary sewer (CSS) line. The PSL, VSA, and CSS monitoring subsystems are monitored quarterly for soil moisture concentration, the VSA is monitored quarterly for soil temperature, and the VSA and CSS monitoring subsystems are monitored annually for volatile organic compound (VOC) concentrations in the soil vapor at various depths. Baseline data for the soil moisture, soil temperature, and soil vapor were established between October 2003 and September 2004.

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Proceedings of the 8th US/German Workshop on Salt Repository Research Design and Operation

Hansen, Francis D.; Steininger, Walter; Bollingerfehr, Wilhelm; Kuhlman, Kristopher L.; Dunagan, Sean

This document records the Proceedings of the 2017 gathering of salt repository nations. In a spirit of mutual support, technical issues are dissected, led capably by subject matter experts. As before, it is not possible to explore all contemporary issues regarding nuclear waste disposal in salt formations. Instead, the group focused on a few selected issues to be pursued in depth, while at the same time acknowledging and recording ancillary issues.

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The Finite Strain Johnson Cook Plasticity and Damage Constitutive Model in ALEGRA

Sanchez, Jason J.

A finite strain formulation of the Johnson Cook plasticity and damage model and it's numerical implementation into the ALEGRA code is presented. The goal of this work is to improve the predictive material failure capability of the Johnson Cook model. The new implementation consists of a coupling of damage and the stored elastic energy as well as the minimum failure strain criteria for spall included in the original model development. This effort establishes the necessary foundation for a thermodynamically consistent and complete continuum solid material model, for which all intensive properties derive from a common energy. The motivation for developing such a model is to improve upon ALEGRA's present combined model framework. Several applications of the new Johnson Cook implementation are presented. Deformation driven loading paths demonstrate the basic features of the new model formulation. Use of the model produces good comparisons with experimental Taylor impact data. Localized deformation leading to fragmentation is produced for expanding ring and exploding cylinder applications.

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Pipe Overpack Container Fire Testing: Phase I II & III

Figueroa Faria, Victor G.; Ammerman, Douglas; Lopez, Carlos; Gill, Walter

The Pipe Overpack Container (POC) was developed at Rocky Flats to transport plutonium residues with higher levels of plutonium than standard transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP) for disposal. In 1996 Sandia National Laboratories (SNL) conducted a series of tests to determine the degree of protection POCs provided during storage accident events. One of these tests exposed four of the POCs to a 30-minute engulfing pool fire, resulting in one of the 7A drum overpacks generating sufficient internal pressure to pop off its lid and expose the top of the pipe container (PC) to the fire environment. The initial contents of the POCs were inert materials, which would not generate large internal pressure within the PC if heated. POCs are now being used to store combustible TRU waste at Department of Energy (DOE) sites. At the request of DOE’s Office of Environmental Management (EM) and National Nuclear Security Administration (NNSA), starting in 2015 SNL conducted a series of fire tests to examine whether PCs with combustibles would reach a temperature that would result in (1) decomposition of inner contents and (2) subsequent generation of sufficient gas to cause the PC to over-pressurize and release its inner content. Tests conducted during 2015 and 2016 were done in three phases. The goal of the first phase was to see if the PC would reach high enough temperatures to decompose typical combustible materials inside the PC. The goal of the second test phase was to determine under what heating loads (i.e., incident heat fluxes) the 7A drum lid pops off from the POC drum. The goal of the third phase was to see if surrogate aerosol gets released from the PC when the drum lid is off. This report will describe the various tests conducted in phase I, II, and III, present preliminary results from these tests, and discuss implications for the POCs.

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CA Air Resource Board's Off-Road Diesel Equipment Regulation 2017 DOORS Reporting

Jadhav, Pradnya A.

Sandia National Laboratories/CA (SNL/CA) operates 14 diesel vehicles subject to the Off-Road Diesel Equipment Regulation; all the vehicles are classified as low-use vehicles. Annually, SNL/CA must report to the CA Air Resources Board (ARB) the hour-meter readings on our Off-Road Low-Use Diesel Equipment. This is to verify to the CA ARB that our equipment is being operated less than 200 hr/yr and therefore is considered “low-use” and not subject to the strict emissions standards for off-road diesel equipment. The reporting is done using DOORS, the CA ARB’s on-line reporting tool. The hour meter data for CY2017 has already been submitted using DOORS. The final step in the annual reporting process, which needs to be done by DOE, is to submit the Responsible Official Affirmation of Reporting (ROAR), which affirms that the information reported using DOORS is accurate. The ROAR is to be signed by a “Responsible Official” and can be submitted as a hardcopy ROAR or an electronic ROAR (e-ROAR) by March 1st, 2018. CA ARB’s preferred mechanism of ROAR submission is by using the e-ROAR.

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Zero-Power Radio Device

Brocato, Robert W.

This report describes an unpowered radio receiver capable of detecting and responding to weak signals transmit ted from comparatively long distances . This radio receiver offers key advantages over a short range zero - power radio receiver previously described in SAND2004 - 4610, A Zero - Power Radio Receiver . The device described here can be fabricated as an integrated circuit for use in portable wireless devices, as a wake - up circuit, or a s a stand - alone receiver operating in conjunction with identification decoders or other electroni cs. It builds on key sub - components developed at Sandia National Laboratories over many years. It uses surface acoustic wave (SAW) filter technology. It uses custom component design to enable the efficient use of small aperture antennas. This device uses a key component, the pyroelectric demodulator , covered by Sandia owned U.S. Patent 7397301, Pyroelectric Demodulating Detector [1] . This device is also described in Sandia owned U.S. Patent 97266446, Zero Power Receiver [2].

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Analysis Report for Exascale Storage Requirements for Scientific Data

Ruwart, Thomas M.

Over the next 10 years, the Department of Energy will be transitioning from Petascale to Exascale Computing resulting in data storage, networking, and infrastructure requirements to increase by three orders of magnitude. The technologies and best practices used today are the result of a relatively slow evolution of ancestral technologies developed in the 1950s and 1960s. These include magnetic tape, magnetic disk, networking, databases, file systems, and operating systems. These technologies will continue to evolve over the next 10 to 15 years on a reasonably predictable path. Experience with the challenges involved in transitioning these fundamental technologies from Terascale to Petascale computing systems has raised questions about how these will scale another 3 or 4 orders of magnitude to meet the requirements imposed by Exascale computing systems. This report is focused on the most concerning scaling issues with data storage systems as they relate to High Performance Computing- and presents options for a path forward. Given the ability to store exponentially increasing amounts of data, far more advanced concepts and use of metadata will be critical to managing data in Exascale computing systems.

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