Publications

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The ADAPT software allows for the examination of aleatory and epistemic uncertainties in complex system transients using the Dynamic Event Tree (DET) methodology. This manual outlines the principles of operation of ADAPT and provides directions for its use. Future plans for the code are briefly outlined.

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Accomplishments and progress on various milestones for the ATDM project are reported in a bulleted format.

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The recently updated technical standard for the Department of Energy Laboratory Accreditation Program (DOELAP) may soon require accredited laboratories to empirically verify the estimated minimum detectable activity (MDA) for the nuclides of interest measured by in-vivo detection systems. The Radiation Protection Sample Diagnostics (RPSD) program is the SNL on-site DOELAP accredited laboratory that provides in-vivo measurements of ingested gamma-emitting nuclides (or to prove the lack of significant ingested gamma-emitting nuclides) for the internal dosimetry program administered by Radiation Protection Dosimetry Program (RPDP). Currently, the main nuclides of concern for RPDP include cesium-137 and cobalt-60 as specified in the Statement of Work between the two programs. Historically, MDAs for the RPSD whole-body counting system (WBC) were calculated annually as a-priori values by averaging the critical levels (LC) of any twelve subjects with undetected Co-60 and Cs-137 and assuming MDA is twice the decision level. The purpose of this technical basis document is to evaluate the method and process that validates the a-priori MDA of the RPSD WBC.

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Tonopah Test Range (TTR) is an outpost of Sandia National Laboratories (SNL) in the Nevada desert, which has been used for the testing of ballistics and non-nuclear components of both nuclear and conventional weapons since 1957. These tests typically involve the drop or flight of test objects, which impact on one of several dry lake beds at the facility.

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A series of modal tests were performed on an acoustoelastic system to explore how changes to the air and structural components affect the acoustoelastic coupling. This work is a continuation of previous experimental and analytical efforts. Here, the test method and perturbations were much more controlled than in previous tests, resulting in more refined data. Outputs of interest here are the coupled system modes as well as the resulting frequency response for various perturbations of the coupled system. Perturbations explored in this work include mass loading the structure, changing the air damping, and changing the air boundary conditions. Results of these tests indicate that simply adding damping to the air component, using foam or other absorptive material, is not sufficient to fully decouple the system. Rather, it is preferred to employ a change to the air boundary conditions, in the form of volume inclusions or scatterers, to prevent formation of the acoustic coupled mode.

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While there is consensus both in the executive branch and Congress on the need to recapitalize the U.S. nuclear weapons enterprise, the delivery system and W80-4 warhead proposed to comprise the long-range stand-off (LRSO) missile have generated considerable debate. Much of the public debate has focused on its potential to affect the strategic nuclear balance and stability. This paper seeks to elucidate both Russian and Chinese perspectives on strategic stability and apply them to a systematic analysis of how the LRSO might either enhance or diminish strategic stability for the purpose of better informing the decision-making process rather than advocate a particular position on this issue.

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For more than a half century of service to the nation, Sandia National Laboratories/New Mexico (SNL/NM) is on the threshold of major change. The physical boundaries are finite and the utilization and development of the lands under SNL's management require a commitment toward thoughtful stewardship. The composition of these lands is a diverse ecosystem comprised of varied flora and fauna within a landscape that moves between urban development and natural open space.

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Deep-water offshore sites are an untapped opportunity to bring large-scale offshore wind energy to coastal population centers. The primary challenge has been the projected high costs for floating offshore wind systems. This work presents a comprehensive investigation of a new opportunity for deep-water offshore wind using large-scale vertical axis wind turbines. Owing to inherent features of this technology, there is a potential transformational opportunity to address the major cost drivers for floating wind using vertical axis wind turbines. The focus of this report is to evaluate the technical potential for this new technology. The approach to evaluating this potential was to perform system design studies focused on improving the understanding of technical performance parameters while looking for cost reduction opportunities. VAWT design codes were developed in order to perform these design studies. To gain a better understanding of the design space for floating VAWT systems, a comprehensive design study of multiple rotor configuration options was carried out. Floating platforms and moorings were then sized and evaluated for each of the candidate rotor configurations. Preliminary LCOE estimates and LCOE ranges were produced based on the design study results for each of the major turbine and system components. The major outcomes of this study are a comprehensive technology assessment of VAWT performance and preliminary LCOE estimates that demonstrate that floating VAWTs may have favorable performance and costs in comparison to conventional HAWTs in the deep-water offshore environment where floating systems are required, indicating that this new technology warrants further study.

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Additive manufacturing of mixed potential electrochemical sensors opens the possibility to perform rapid prototyping of electrode and electrolyte materials. We report for the first time the use of this technique for the fabrication of solid-state electrochemical gas sensors of the mixed potential type and assessment of variability in the manufacturing process. La_0.87Sr_0.13CrO₃ (LSCO) and Pt electrodes bridged with a porous yttria-stabilized zirconia (YSZ) have been deposited on YSZ substrates by direct-write extrusion of pastes and inks. The sensors are evaluated for their sensitivity to 200 ppm of NO_x, C₃H₈, and NH₃. There is a need to understand how variations in intrinsic materials parameters during manufacturing such as differences in porosity affect the gas sensing of additively manufactured sensors to guide optimization of their performance and serve as quality control techniques. Further characterizations of these devices include electrochemical impedance spectroscopy and an aqueous electrochemical assessment of the electrode surface area and diffusion through the porous layer. In conclusion, we find a correlation of increased sensitivity with larger gas reaction impedance, higher Pt electrode surface area, and slower diffusion.

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Trichloroethene (TCE) and nitrate have been identified as constituents of concern in groundwater at the Sandia National Laboratories, New Mexico (SNL/NM) Technical Area (TA)-V Groundwater (TAVG) Area of Concern (AOC) based on detections above the U.S. Environmental Protection Agency (EPA) maximum contaminant level (MCL) in samples collected from monitoring wells. The EPA MCLs and the State of New Mexico drinking water standards for TCE and nitrate are 5 micrograms per liter and 10 milligrams per liter (as nitrogen), respectively.

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The performance and sensitivity of aged composite explosives based on the epsilon polymorph of hexanitrohexaazaisowurtzitane (ϵ-CL-20) have been evaluated with the laser-induced air shock from energetic materials (LASEM) technique using only milligram quantities of material. The LASEM results demonstrated reduced explosive performance (i. e., lower estimated detonation velocities) and higher sensitivity to ignition with increasing ageing. Chemical analysis of the explosive formulation subjected to ambient and accelerated aging was conducted to help understand the LASEM results. The Fourier Transform Infrared (FTIR) spectra revealed no evidence for conversion to lower-energy polymorphs. Based on the desorption gas chromatography/mass spectrometry (D-GC/MS) results, the observed decrease in performance and increase in sensitivity for the explosive powder aged at 100 °C (relative to ambient and 70 °C aging) have been attributed to changes related to solvent inclusions in the molding powders.

The MagLIF (Magnetized Liner Inertial Fusion) experiment at Sandia National Labs is one of the three main approaches to inertial confinement fusion. Radiographic measurements of the imploding liner have shown helical structuring that was not included in MagLIF scaling calculations but that could fundamentally change the viability of the approach. We present the first MagLIF linear dynamics simulations, using extended magnetohydrodynamical (XMHD) as well as standard MHD modeling, that reproduce these helical structures, thus enabling a physical understanding of their origin and development. Specifically, it is found that low-density plasma from the simulated power flow surfaces can compress the axial flux in the region surrounding the liner, leading to a strong layer of axial flux on the liner. The strong axial magnetic field on the liner imposes helical magneto-Rayleigh-Taylor perturbations into the imploding liner. A detailed comparison of XMHD and MHD modeling shows that there are defects in the MHD treatment of low-density plasma dynamics that are remedied by inclusion of the Hall term that is included in our XMHD model. In order to obtain fair agreement between XMHD and MHD, great care must be taken in the implementation of the numerics, especially for MHD. Even with a careful treatment of low-density plasma, MHD exhibits significant shortcomings that emphasize the importance of using XMHD modeling in pulsed-power driven high-energy-density experiments. The present results may explain why past MHD modeling efforts have failed to produce the helical structuring without initially imposing helical perturbations.

Penetration of distributed energy resources (DERs) is rapidly increasing in the bulk power system (BPS); they are growing to be a significant portion of generation. As such, grid-support capabilities are being developed and implemented. However, as their presence increases, the impact of DERs on the BPS also increases. Therefore, if a disturbance occurs in the DER system, its effects could propagate throughout the BPS. These disturbances could range from equipment malfunctions to resource variability to cyber attacks.

Laser-driven magnetized liner inertial fusion (MagLIF) is being developed on the OMEGA Laser System to study scaling. MagLIF targets require a preheat laser entrance window that can hold the gas in the target yet allow sufficient laser energy to enter the gas. For OMEGA MagLIF targets, 1.8-μm-thick polyimide foils were found to be sufficient to hold a fuel pressure of up to 14 atm. Transmission and reflection of an OMEGA beam incident on such foils were measured with a calorimeter and time-resolved spectrometers for 2.5-ns square-shaped pulses, with energies from 60 to 200 J, focused to intensities from 0.65 to 2.2 × 1014 W/cm2. The laser energy transmitted in every case exceeded that required to achieve the goal of preheating the gas to 100 eV. The time-resolved measurements showed an initial period with very low, decreasing transmission, the duration of which decreased with increasing intensity, followed by a rapid transition to full transmission, accompanied by brief sidescattering of the transmitted light with a significant red shift. Reflection was always negligible. Two-dimensional radiation-hydrodynamic simulations, using 3-D ray tracing with inverse bremsstrahlung energy deposition, did not capture the rapid transition to full transmission, showing instead a slow increase in transmission, without significant sidescatter or red shift. We propose that full transmission is achieved by self-focusing followed by ponderomotive blowout of the plasma.

State estimation is a fundamental part of monitoring, control, and real-time optimization in continuous pharmaceutical manufacturing. For nonlinear dynamic systems with hard constraints, moving horizon estimation (MHE) can estimate the current state by solving a well-defined optimization problem where process complexities are explicitly considered as constraints. Traditional MHE techniques assume random measurement noise governed by some normal distributions. However, state estimates can be unreliable if noise is not normally distributed or measurements are contaminated with gross or systematic errors. To improve the accuracy and robustness of state estimation, we incorporate robust estimators within the standard MHE skeleton, leading to an extended MHE framework. The proposed MHE approach is implemented on two pharmaceutical continuous feeding–blending system (FBS) configurations which include loss-in-weight (LIW) feeders and continuous blenders. Numerical results show that our MHE approach is robust to gross errors and can provide reliable state estimates when measurements are contaminated with outliers and drifts. Moreover, the efficient solution of the MHE realized in this work, suggests feasible application of on-line state estimation on more complex continuous pharmaceutical processes.

The quality of automatic signal detections from sensor networks depends on individual detector trigger levels (TLs) from each sensor. The largely manual process of identifying effective TLs is painstaking and does not guarantee optimal configuration settings, yet achieving superior automatic detection of signals and ultimately, events, is closely related to these parameters. We present a Dynamic Detector Tuning (DDT) system that automatically adjusts effective TL settings for signal detectors to the current state of the environment by leveraging cooperation within a local neighborhood of network sensors. After a stabilization period, the DDT algorithm can adapt in near-real time to changing conditions and automatically tune a signal detector to identify (detect) signals from only events of interest. Our current work focuses on reducing false signal detections early in the seismic signal processing pipeline, which leads to fewer false events and has a significant impact on reducing analyst time and effort. This system provides an important new method to automatically tune detector TLs for a network of sensors and is applicable to both existing sensor performance boosting and new sensor deployment. With ground truth on detections from a local neighborhood of seismic sensors within a network monitoring the Mount Erebus volcano in Antarctica, we show that DDT reduces the number of false detections by 18% and the number of missed detections by 11% when compared with optimal fixed TLs for all sensors.

This work describes the results of a quantitative uncertainty analysis of the thermal-hydraulic subchannel code for nuclear engineering applications, Coolant Boiling in Rod Arrays-Three Field (COBRA-TF). CTF is used, which is a version of COBRA-TF developed in cooperation between the Consortium for Advanced Simulation of Light Water Reactors and North Carolina State University. Four steady-state cases from Phase II Exercise 3 of the Organisation for Economic Co-operation and Development/Nuclear Energy Agency Light Water Reactor Uncertainty Analysis in Modeling (UAM) Benchmark are analyzed using the statistical analysis tool, Design Analysis Kit for Optimization and Terascale Applications (Dakota). The input parameters include boundary condition, geometry, and modeling uncertainties, which are selected using a sensitivity study and then defined based on expert judgment. A forward uncertainty quantification method with Latin hypercube sampling (LHS) is used, where the sample size is based on available computational resources. The means and standard deviations of thermal-hydraulic quantities of interest are reported, as well as the Spearman rank correlation coefficients between the inputs and outputs. The means and standard deviations are accompanied by their respective standard errors, and the correlation coefficients are tested for statistical significance. The quantities of interest include void fractions, temperatures, and pressure drops. The predicted uncertainty in all parameters remains relatively low for all quantities of interest. The dominant sources of uncertainty are identified. For cases based on experiments, two different validation metrics are used to quantify the difference between measured and predicted void fractions. The results compare well with past studies, but with a number of improvements: the use of an updated CTF input deck using the current UAM specification and the most recent version of CTF, the use of an LHS method, an analysis of standard errors for the statistical results, and a quantitative comparison to experimental data. Though the statistical uncertainty analysis framework presented herein is applied to thermal-hydraulic analyses, it is generally applicable to any simulation tool. Given a specified amount of computational resources, it can be used to quantify statistical significance through the use of fundamental statistical analyses. This is in contrast with the prevailing methods in nuclear engineering, which provide a sample size necessary to achieve a specified level of statistical certainty.

To understand the mathematics behind Uncertainty Quantification (UQ), one first needs to understand the basics of orthogonal polynomials, which this report covers.

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Recent studies have revealed that caryophyllene and its stereoisomers not only exhibit multiple biological activities but also have desired properties as renewable candidates for ground transportation and jet fuel applications. This study presents the first significant production of caryophyllene and caryolan-1-ol by an engineered E. coli with heterologous expression of mevalonate pathway genes with a caryophyllene synthase and a caryolan-1-ol synthase. By optimizing metabolic flux and fermentation parameters, the engineered strains yielded 449 mg/L of total terpene, including 406 mg/L sesquiterpene with 100 mg/L caryophyllene and 10 mg/L caryolan-1-ol. Furthermore, a marine microalgae hydrolysate was used as the sole carbon source for the production of caryophyllene and other terpene compounds. Under the optimal fermentation conditions, 360 mg/L of total terpene, 322 mg/L of sesquiterpene, and 75 mg/L caryophyllene were obtained from the pretreated algae hydrolysates. The highest yields achieved on the biomass basis were 48 mg total terpene/g algae and 10 mg caryophyllene/g algae and the caryophyllene yield is approximately ten times higher than that from plant tissues by solvent extraction. The study provides a sustainable alternative for production of caryophyllene and its alcohol from microalgae biomass as potential candidates for next generation aviation fuels.

We describe pyomo.dae, an open source Python-based modeling framework that enables high-level abstract specification of optimization problems with differential and algebraic equations. The pyomo.dae framework is integrated with the Pyomo open source algebraic modeling language, and is available at http://www.pyomo.org. One key feature of pyomo.dae is that it does not restrict users to standard, predefined forms of differential equations, providing a high degree of modeling flexibility and the ability to express constraints that cannot be easily specified in other modeling frameworks. Other key features of pyomo.dae are the ability to specify optimization problems with high-order differential equations and partial differential equations, defined on restricted domain types, and the ability to automatically transform high-level abstract models into finite-dimensional algebraic problems that can be solved with off-the-shelf solvers. Moreover, pyomo.dae users can leverage existing capabilities of Pyomo to embed differential equation models within stochastic and integer programming models and mathematical programs with equilibrium constraint formulations. Collectively, these features enable the exploration of new modeling concepts, discretization schemes, and the benchmarking of state-of-the-art optimization solvers.

Atomic structure of N-electron atoms is often determined by solving the Hartree-Fock equations, which are a set of integro-differential equations. The integral part of the Hartree-Fock equations treats electron exchange, but the Hartree-Fock equations are not often treated as an integro-differential equation. The exchange term is often approximated as an inhomogeneous or an effective potential so that the Hartree-Fock equations become a set of ordinary differential equations (which can be solved using the usual shooting methods). Because the Hartree-Fock equations are an iterative-refinement method, the inhomogeneous term relies on the previous guess of the wavefunction. In addition, there are numerical complications associated with solving inhomogeneous differential equations. This work uses matrix methods to solve the Hartree-Fock equations as an integro-differential equation. It is well known that a derivative operator can be expressed as a matrix made of finite-difference coefficients; energy eigenvalues and eigenvectors can be obtained by using linear-algebra packages. The integral (exchange) part of the Hartree-Fock equation can be approximated as a sum and written as a matrix. The Hartree-Fock equations can be solved as a matrix that is the sum of the differential and integral matrices. We compare calculations using this method against experiment and standard atomic structure calculations. This matrix method can also be used to solve for free-electron wavefunctions, thus improving how the atoms and free electrons interact. This technique is important for spectral line broadening in two ways: it improves the atomic structure calculations, and it improves the motion of the plasma electrons that collide with the atom.

The conservation of total water is an important numerical feature for global Earth system models. Even small conservation problems in the water budget can lead to systematic errors in century-long simulations. This study quantifies and reduces various sources of water conservation error in the atmosphere component of the Energy Exascale Earth System Model. Several sources of water conservation error have been identified during the development of the version 1 (V1) model. The largest errors result from the numerical coupling between the resolved dynamics and the parameterized sub-grid physics. A hybrid coupling using different methods for fluid dynamics and tracer transport provides a reduction of water conservation error by a factor of 50 at 1° horizontal resolution as well as consistent improvements at other resolutions. The second largest error source is the use of an overly simplified relationship between the surface moisture flux and latent heat flux at the interface between the host model and the turbulence parameterization. This error can be prevented by applying the same (correct) relationship throughout the entire model. Two additional types of conservation error that result from correcting the surface moisture flux and clipping negative water concentrations can be avoided by using mass-conserving fixers. With all four error sources addressed, the water conservation error in the V1 model becomes negligible and insensitive to the horizontal resolution. The associated changes in the long-term statistics of the main atmospheric features are small. A sensitivity analysis is carried out to show that the magnitudes of the conservation errors in early V1 versions decrease strongly with temporal resolution but increase with horizontal resolution. The increased vertical resolution in V1 results in a very thin model layer at the Earth's surface, which amplifies the conservation error associated with the surface moisture flux correction. We note that for some of the identified error sources, the proposed fixers are remedies rather than solutions to the problems at their roots. Future improvements in time integration would be beneficial for V1.

Analysis systems incorporating atmospheric observations could provide a powerful tool for validating fossil fuel CO2 (ffCO2) emissions reported for individual regions, provided that fossil fuel sources can be separated from other CO2 sources or sinks and atmospheric transport can be accurately accounted for. We quantified ffCO2 by measuring radiocarbon (14C) in CO2, an accurate fossil-carbon tracer, at nine observation sites in California for three months in 2014-15. There is strong agreement between the measurements and ffCO2 simulated using a high-resolution atmospheric model and a spatiotemporally-resolved fossil fuel flux estimate. Inverse estimates of total in-state ffCO2 emissions are consistent with the California Air Resources Board's reported ffCO2 emissions, providing tentative validation of California's reported ffCO2 emissions in 2014-15. Continuing this prototype analysis system could provide critical independent evaluation of reported ffCO2 emissions and emissions reductions in California, and the system could be expanded to other, more data-poor regions.

Acoustoelastic coupling occurs when a hollow structure's in-vacuo mode aligns with an acoustic mode of the internal cavity. The impact of this coupling on the total dynamic response of the structure can be quite severe depending on the similarity of the modal frequencies and shapes. Typically, acoustoelastic coupling is not a design feature, but rather an unintended result that must be remedied as modal tests of structures are often used to correlate or validate finite element models of the uncoupled structure. Here, however, a test structure is intentionally designed such that multiple structural and acoustic modes are well-aligned, resulting in a coupled system that allows for an experimental investigation. First, coupling in the system is identified using a measure termed the magnification factor. Next, the structural-acoustic interaction is measured. Modifications to the system demonstrate the dependency of the coupling on changes in the mode shape and frequency proximity. This includes an investigation of several practical techniques used to decouple the system by altering the internal acoustic cavity, as well as the structure itself. These results show that acoustic absorption material effectively decoupled the structure while structural modifications, in their current form, proved unsuccessful. Readily available acoustic absorptive material was effective in reducing the coupled effects while presumably adding negligible mass or stiffness to the structure.

UAS and TBS operations at Oliktok Point, Alaska, have laid the groundwork for extended and semiroutine operations of such vehicles by the DOE ARM program. This paper provided an overview of these activities, along with insights into obstacles overcome and initial science achieved. While measurements from these initial activities are just beginning to be analyzed, these observations demonstrate the value of the new perspectives offered by these platforms, including information on spatial variability and vertical structure, and over difficult-to-sample surfaces such as newly forming sea ice and partially frozen tundra. Over the next few years, the measurements obtained, and those to be collected in the near future, will continue to be analyzed and used for model and remote sensing retrieval development and for the production of scientific understanding. Some such studies are currently being prepared for publication, offering new insights into atmospheric thermodynamic structure, aerosol processes, cloud macro- and microphysics, and turbulent and radiative energy fluxes at high latitudes. Information gained on the efficient use of unmanned platforms in the Arctic will benefit future missions, while scientific insight from such activities will continue, providing a valuable complement to measurements obtained from ARM's surface-based sensors and those provided by crewed research aircraft and satellites.

The goal of the DOE OE Energy Storage System Safety Roadmap is to foster confidence in the safety and reliability of energy storage systems.

The Overall Objectives of this study are: 1).Create compact gaseous and delivered liquid hydrogen reference station designs appropriate for urban locations, enabled by hazard/harm mitigations, near-term technology improvements, and layouts informed by risk (performance-based design). 2) Disseminate results and obtain feedback through reports and a workshop with stakeholders representing code/standard development organization, station developers, code officials, and equipment suppliers. 3) Identify and provide designs for compact station concepts which enable siting on 3-times the number of stations in the dense urban example of San Francisco.

To understand the mathematics behind Uncertainty Quantification (UQ), one first needs to become familiar with orthogonal polynomials, which in turn requires a grasp of abstract algebra. This note covers some of the basics of abstract algebra.

We report on thermally tunable modulators, with efficiencies up to 2.16 nm/mW. Efficient performance was accomplished through integrated heater design and Si substrate removal, where the heavily N+ doped Si heater element is integrated into the body of the microdisk. For comparison, modulators with an external heater design were also tested with small diameter Si substrate removed. The external heavily doped N+Si heater bars were fabricated outside the diameter of the microdisk. Efficiency for external heater design was 0.68 nm/mW with substrate removed. Both types of thermal modulators were experimentally tested and simulated for a complete understanding of the Si substrate's influence on heat dissipation with both types benefiting significantly from substrate removal. Agreement between simulation and experimental results was greater than 80% in all instances.

Sampling activities for this reporting period included two semiannual monitoring events each for groundwater and soil-vapor, and four quarterly monitoring events for radon. Annual soilmoisture monitoring was conducted in April 2017, and annual tritium surface soil sampling and annual biota sampling (metals and radionuclides) were conducted in August 2017. All monitoring activities were conducted in accordance with LTMMP requirements and no monitoring results exceeded LTMMP trigger levels. All monitoring results were consistent with historical MWL monitoring data.

MELCOR3 is a complete rewrite of MELCOR2. The physical modeling capabilities will be similar but the code capabilities will be increased. MELCOR3 is written based on the changes in code usage since MELCOR2 was written in the 1980's. The two main changes in code usage are based on uncertainty quantification and on risk analysis.

This document describes how gamma-ray imagers are characterized using the Gamma Detector Response and Analysis Software (GADRAS). The initial step of the characterization process entails definition of detector dimensions and estimation of a few parameters that are specific to gamma-ray imagers. Energy calibration and resolution parameters are then adjusted based on comparison between computed spectra and measurements for several calibration source. These steps are analogous to the way non-imaging spectrometers are characterized. The parameters are then refined by an empirical process to achieved good agreement between measured and computed spectra as functions of gamma-ray energy and angular group.

This report contains a summary of our efforts to correlate head injury simulations predicting intracranial fluid cavitation with clinical assessments of brain injury from blunt impact to the head. Magnetic resonance imaging (MRI) data, collected on traumatic brain injury (TBI) subjects by researchers at the MIND Institute of New Mexico, was acquired for the current work. Specific blunt impact TBI case histories were selected from the TBI data for further study and possible correlation with simulation. Both group and single-subject case histories were examined. We found one single-subject case that was particularly suited for correlation with simulation. Diffusion tensor image (DTI) analysis of the TBI subject identified white matter regions within the brain displaying reductions in fractional anisotropy (FA), an indicator of local damage to the white matter axonal structures. Analysis of functional magnetic resonance image (fMRI) data collected on this individual identified localized regions of the brain displaying hypoactivity, another indicator of brain injury. We conducted high fidelity simulations of head impact experienced by the TBI subject using the Sandia head-neck-torso model and the shock physics computer code CTH. Intracranial fluid cavitation predictions were compared with maps of DTI fractional anisotropy and fMRI hypoactivity to assess whether a possible correlation exists. The ultimate goal of this work is to assess whether one can correlate simulation predictions of intracranial fluid cavitation with the brain injured sites identified by the fMRI and DTI analyses. The outcome of this effort is described in this report.

Many U.S. troops deployed in Iraq and Afghanistan have suffered blast-related, closed-head injuries as a result of being within non-lethal distance of a detonated improvised explosive device (IED). Consequently, we are conducting a modeling & simulation investigation, coupled with clinical diagnostics of brain injury, into the mechanisms associated with blast to the human head that give rise to traumatic brain injury (TBI). In particular, we are attempting to identify the specific conditions of focused stress wave energy within the brain, resulting from blast loading to the head, which define a threshold for persistent brain injury. As these threshold injury conditions are identified, one can then employ a modeling & simulation toolset to assess the efficacy of various helmet designs to mitigate blast exposure that would otherwise lead to traumatic brain injury. In this report, we describe our efforts to establish the role of stress wave interactions in the genesis of traumatic brain injury (TBI) from exposure to explosive blast. We discuss our effort to correlate simulation predictions with clinical assessments of TBI subjects whose brain injuries have been diagnosed by advanced magnetic resonance imaging techniques. This work has been funded through the U.S. Naval Health Research Center, Office of Naval Research, Mr. James Mackiewicz, project funding manager.

Aerial Assessment of Liquid in Clouds at Oliktok (AALCO) Intensive Operation Period (IOP) began in October, 2016 and ended in October, 2017 at the ARM Mobile Facility-3 (AMF-3) at Oliktok Point, Alaska. The operations tested super-cooled liquid water sensors (SLWCs), leaf-wetness sensors, radiosondes, and a distributed temperature sensor (DTS) on tethered balloon system (TBS) platforms throughout the period. An auto-reeler system, a helikite, and a aerostat were tested. When conditions were optimal, the aerostat was preferred to the helikite and the auto-reeler. It was found the SLWCs had better transmission and sensitivity to relay information about the near-surface cloudy boundary layer than the leaf-wetness sensors. The DTS was also found to give useful information about the atmospheric column and deployment is condition-dependent. Results from the SLWCs and DTS are being compared with high resolution Large Eddy Simulations (LES) in the System for Atmospheric Modeling (SAM).

Penetration of distributed energy resources (DERs) is rapidly increasing in the bulk power system (BPS); they are growing to be a significant portion of generation. As such, grid-support capabilities are being developed and implemented; IEEE Std. 1547 mandates new interconnection and interoperability standards to achieve these capabilities and allow remote users to change behaviors to many devices. However, as their presence increases, the impact of DERs on the BPS also increases. Therefore, if a disturbance occurs in the DER system, its effects could propagate throughout the BPS. These disturbances could range from equipment malfunctions to resource variability to cyber attacks. This document will discuss general requirements needed for developing a distributed cryptography module for implementation in DER systems. First, we will examine the composition of DER systems in Section 2. Procedures to identify critical assets and the security of DERs is discussed in Section 3. Section 4 introduces cryptography concepts and Section 5 discusses implementation needs and options. Finally, practical considerations are provided in Section 6 and conclusions are provided in Section 7.

Increasing penetration levels of renewables have transformed how power systems are operated. High levels of uncertainty in production make it increasingly difficulty to guarantee operational feasibility; instead, constraints may only be satisfied with high probability. We present a chance-constrained economic dispatch model that efficiently integrates energy storage and high renewable penetration to satisfy renewable portfolio requirements. Specifically, we require that wind energy contribute at least a prespecified proportion of the total demand and that the scheduled wind energy is deliverable with high probability. We develop an approximate partial sample average approximation (PSAA) framework to enable efficient solution of large-scale chance-constrained economic dispatch problems. Computational experiments on the IEEE-24 bus system show that the proposed PSAA approach is more accurate, closer to the prescribed satisfaction tolerance, and approximately 100 times faster than standard sample average approximation. Finally, the improved efficiency of our PSAA approach enables solution of a larger WECC-240 test system in minutes.

The decomposition of a one-dimensional composition wave in Cu-Ni(Fe) nanolaminate structures is quantified using X-ray diffraction to assess kinetics of the interdiffusion process for samples aged at room temperature for 30 years. Definitive evidence for growth to the composition modulation within the chemical spinodal is found through measurement of a negative interdiffusivity for each of sixteen different nanolaminate samples over a composition wavelength range of 2.1-10.6 nm. A diffusivity value Ď of 1.77 × 10-24 cm2·s-1 is determined for the Cu-Ni(Fe) alloy system, perhaps the first such measurement at a ratio of melt temperature to test temperature that is greater than 5. The anomalously high diffusivity value with respect to bulk diffusion is attributed to the nanolaminate structure that features paths for short-circuit diffusion through interlayer grain boundaries.

A new class of continuously-differentiable shape functions is developed and applied to two-dimensional electrostatic PIC simulation on an unstructured simplex (triangle) mesh. It is shown that troublesome aliasing instabilities are avoided for cold plasma simulation in which the Debye length is as small as 0.01 cell sizes. These new shape functions satisfy all requirements for PIC particle shape. They are non-negative, have compact support, and partition unity. They are given explicitly by cubic expressions in the usual triangle logical (areal) coordinates. The shape functions are not finite elements because their structure depends on the topology of the mesh, in particular, the number of triangles neighboring each mesh vertex. Nevertheless, they may be useful as approximations to solution of other problems in which continuity of derivatives is required or desired.

A configurable-bandwidth (BW) filter is presented in this paper for pulsed radar applications. To eliminate dispersion effects in the received waveform, a finite impulse response (FIR) topology is proposed, which has a measured standard deviation of an in-band group delay of 11 ns that is primarily dominated by the inherent, fully predictable delay introduced by the sample-and-hold. The filter operates at an IF of 20 MHz, and is tunable in BW from 1.5 to 15 MHz, which makes it optimal to be used with varying pulse widths in the radar. Employing a total of 128 taps, the FIR filter provides greater than 50-dB sharp attenuation in the stopband in order to minimize all out-of-band noise in the low signal-to-noise received radar signal. Fabricated in a 0.18-μm silicon on insulator CMOS process, the proposed filter consumes approximately 3.5 mW/tap with a 1.8-V supply. A 20-MHz two-tone measurement with 200-kHz tone separation shows IIP3 greater than 8.5 dBm.

This study examined the cause of nonwetted regions of the gold (Au) finish on iron-nickel (Fe-Ni) alloy lids that seal ceramic packages using the 80Au-20Sn solder (wt %, abbreviated Au-Sn) and their impact on the final lid-to-ceramic frame solder joint. The Auger electron spectroscopy (AES) surface and depth profile techniques identified surface and through-thickness contaminants in the Au metallization layer. In one case, the AES analysis identified background levels of carbon (C) contamination on the surface; however, the depth profile detected Fe and Ni contaminants that originated from the plating process. The Fe and Ni could impede the completion of wetting and spreading to the edge of the Au metallization. The Au layer of lids not exposed to a Au-Sn solder reflow step had significant surface and through-thickness C contamination. Inorganic contaminants were absent. Subsequent simulated reflow processes removed the C contamination from the Au layer without driving Ni diffusion from the underlying solderable layer. An Au metallization having negligible C contamination developed elevated C levels after exposure to a simulated reflow process due to C contamination diffusing into it from the underlying Ni layer. However, the second reflow step removed that contamination from the Au layer, thereby allowing the metallization to support the formation of lid-to-ceramic frame Au-Sn joints without risk to their mechanical strength or hermeticity.

This paper examines the role of crude oil's organic acid surface active compounds (SAC) in determining the reservoir wettability over a range of salinities and temperatures. To isolate the effects of individual SACs, this project used model oil mixtures of pure decane and single SACs to represent the oleic phase. Due to the large number of experiments in this study, we used wettability measurement method by the modified flotation technique (MFT) to produce fast, reliable, and quantitative results. The results showed that oil wetting by decane increased with temperature for carbonate rocks. Sandstones oil wetting showed little temperature dependency. The presence of long-chained acids in decane increased oil wetting in sandstone and carbonate rocks as salinity was lowered, while the short-chained acid increased water wetting under the same conditions. The effect of organic acids on wettability was slightly enhanced with increasing temperature for all rock types.

We control the electronic structure of the silicon-vacancy (SiV) color-center in diamond by changing its static strain environment with a nano-electro-mechanical system. This allows deterministic and local tuning of SiV optical and spin transition frequencies over a wide range, an essential step towards multiqubit networks. In the process, we infer the strain Hamiltonian of the SiV revealing large strain susceptibilities of order 1 PHz/strain for the electronic orbital states. We identify regimes where the spin-orbit interaction results in a large strain susceptibility of order 100 THz/strain for spin transitions, and propose an experiment where the SiV spin is strongly coupled to a nanomechanical resonator.

Using an atomistic technique consistent with continuum balance laws and drawing on classical fracture mechanics theory, we estimate the resistance to fracture propagation of amorphous silica. We discuss correspondence and deviations from classical linear elastic fracture mechanics theory including size dependence, rigid/floppy modes of deformation, and the effects of surface energy and stress.

Two-dimensional electron density measurements are made in a magnetic ring cusp discharge using laser collisional induced fluorescence. The magnet rings are isolated from the anode structure such that they can be biased independently in order to modulate electron flows through the magnetic cusps. Electron density images are captured as a function of bias voltage in order to assess the effects of current flow through the cusp on the spatial extent of the cusp. We anticipated that for a fixed current density being funneled through the magnetic cusp, the leak width would necessarily increase. Unexpectedly, the leak width, as measured by LCIF images, does not increase. This suggests that the current density is not constant, and that possibly either electrons are being heated or additional ionization events are occurring within the cusp. Spatially resolving electron temperature would be needed to determine if electrons are being heated within the cusp. We also observe breakdown of the anode magnetosheath and formation of anode spots at high bias voltage.

Colliding sea surface waves generate the ocean microbarom, an acoustic signal that may transmit significant energy to the upper atmosphere. Previous estimates of acoustic energy flux from the ocean microbarom and mountain-wind interactions are on the order of 0.01 to 1 mW/m2, heating the thermosphere by tens of Kelvins per day. We captured upgoing ocean microbarom waves with a balloon-borne infrasound microphone; the maximum acoustic energy flux was approximately 0.05 mW/m2. This is about half the average value reported in previous ground-based microbarom observations spanning 8 years. The acoustic flux from the microbarom episode described here may have heated the thermosphere by several Kelvins per day while the source persisted. We suggest that ocean wave models could be used to parameterize acoustically generated heating of the upper atmosphere based on sea state.

Here, this Review Article focuses on the highly versatile and effective method of radiolysis for the synthesis of nanoparticles (NPs). In particular, the formation of bimetallic and alloyed nanoparticles (or nanoalloys), including both known super alloys and novel alloy NP compositions, is described. This Review Article discloses the synthesis techniques that rely on ionizing radiation sources to create metallic NPs. Then, alloy NPs formed from combinations of transition metals and noble metals with varied structures are described. Some of the advantages of radiolysis including exquisite control over the size, monodispersity, and alloying structure of NPs are discussed. Additionally, methodologies that facilitate the synthesis or deposition of NPs onto a range of supports under inert environments are described. Finally, applications of metallic NPs formed by radiolysis are summarized.

Electrical power generation from a moderate-temperature thermal source by means of direct conversion of infrared radiation is important and highly desirable for energy harvesting from waste heat and micropower applications. Here, we demonstrate direct rectified power generation from an unbiased large-area nanoantenna-coupled tunnel diode rectifier called a rectenna. Using a vacuum radiometric measurement technique with irradiation from a temperature-stabilized thermal source, a generated power density of 8 nW/cm2 is observed at a source temperature of 450 °C for the unbiased rectenna across an optimized load resistance. The optimized load resistance for the peak power generation for each temperature coincides with the tunnel diode resistance at zero bias and corresponds to the impedance matching condition for a rectifying antenna. Current-voltage measurements of a thermally illuminated large-area rectenna show current zero crossing shifts into the second quadrant indicating rectification. Photon-assisted tunneling in the unbiased rectenna is modeled as the mechanism for the large short-circuit photocurrents observed where the photon energy serves as an effective bias across the tunnel junction. The measured current and voltage across the load resistor as a function of the thermal source temperature represents direct current electrical power generation.

Here, the impulsive start of a circular cylinder in a shock tube was characterized with time-resolved particle image velocimetry measurements (TR-PIV) using a pulse-burst laser. Three Reynolds numbers Re of 1.07 × 10⁵, 1.63 × 10⁵ and 2.46 × 10⁵ were studied adding insight into the transient process in the vicinity of the drag crisis. One symmetric vortex pair was shed from the cylinder at the lower Reynolds number prior to the wake going asymmetric in a fashion analogous to studies at lower Re. At Re ≥ 1.63 × 10⁵, two or more symmetric vortex pairs occurred prior to asymmetry and the eventual transition to a von Kármán vortex street. The non-dimensional rise time for vortex shedding to begin, as quantified by wavelet analysis, was found to be lower at the two higher Re. Finally, the study indicates a transformation in the impulsive wake to occur at Re near the critical regime and may serve as a benchmark for high Re numerical solutions.

The efficiency of dye-sensitized solar cells (DSSCs) is strongly influenced by dye molecule orientation and interactions with the substrate. Understanding the factors controlling the surface orientation of sensitizing organic molecules will aid in the improvement of both traditional DSSCs and other devices that integrate molecular linkers at interfaces. Here, we describe a general approach to understand relative dye-substrate orientation and provide analytical expressions predicting orientation. We consider the effects of substrate, solvent, and protonation state on dye molecule orientation. In the absence of solvent, our model predicts that most carboxylic acid-functionalized molecules prefer to lie flat (parallel) on the surface, due to van der Waals interactions, as opposed to a tilted orientation with respect to the surface that is favored by covalent bonding of the carboxylic acid group to the substrate. When solvation effects are considered, however, the molecules are predicted to orient perpendicular to the surface. We extend this approach to help understand and guide the orientation of metal-organic framework (MOF) thin-film growth on various metal-oxide substrates. A two-part analytical model is developed on the basis of the results of DFT calculations and ab initio MD simulations that predicts the binding energy of a molecule by chemical and dispersion forces on rutile and anatase TiO2 surfaces, and quantifies the dye solvation energy for two solvents. The model is in good agreement with the DFT calculations and enables rapid prediction of dye molecule and MOF linker binding preference on the basis of the size of the adsorbing molecule, identity of the surface, and the solvent environment. We establish the threshold molecular size, governing dye molecule orientation, for each condition.

Transforming lignin into a water-soluble polymer.

Abstract not provided.

This paper describes the implementation of the adaptive cross approximation(ACA) in the method of moments code EIGER. This purely algebraic method provides a mechanism to reduce memory usage and overall computation time. In addition, this work has been targeted for massively parallel platforms to extend the viable frequency range for electromagnetic compatibility and interference problems.

Recent work in deploying infrasound (low–frequency sound) sensors on aerostats and free–flying balloons has shown them to be viable alternatives to ground stations. However, no study to date has compared the performance of surface and free–floating infrasound microbarometers with respect to acoustic events at regional (100s of kilometers) range. The prospect of enhanced detection of aerial explosions at similar ranges, such as those from bolides, has not been investigated either. We examined infrasound signals from three 1–ton trinitrotoluene (TNT) equivalent chemical explosions using microbarometers on two separate balloons at 280– to 400–km ranges and ground stations at 6.3– to 350–km ranges. Signal celerities were consistent with acoustic waves traveling in the stratospheric duct. However, significant differences were noted between the observed arrival patterns and those predicted by an acoustic propagation model. Very low–background noise levels on the balloons were consistent with previous studies that suggest wind interference is minimal on freely drifting sensors. In conclusion, simulated propagation patterns and observed noise levels also confirm that balloon–borne microbarometers should be very effective at detecting explosions in the middle and upper atmosphere as well as those on the surface.

Kolsky tension bar experiments were improved for dynamic tensile stress-strain measurements with higher fidelity and minimal uncertainties. The difficulties associated with specimen gripping, relatively short gage section, and geometric discontinuity at the bar ends all compromise the accuracy of the traditional strain measurement method in a Kolsky tension bar experiment. In this study, an improved three-channel splitting-beam laser extensometer technique was developed to directly and independently track the displacement of the incident and transmission bar interfaces. By adopting a dual-channel configuration on the incident bar side, the resolution and measurement range of this laser extensometer were coordinated between the two channels to provide highly precise measurement at both small and large strains under high strain-rate loading condition. On the transmission bar side an amplified channel, similar to that used on the incident bar side, was adopted to measure the transmission bar displacement with high resolution. With this novel design, a maximum resolution of approximately 500 nm can be obtained for the bar displacement measurement, which corresponds to a strain of 0.0079% for a specimen with 6.35 mm gage length. To further improve the accuracy, a pair of lock nuts were used to tighten the tensile specimen to the bars in an effort not only to prevent the specimen from potential pre-torsional deformation and damage during installation, but also to provide better thread engagement between the specimen and the bar ends. As a demonstration of this technique, dynamic tensile stress-strain response of a 304L stainless steel was characterized with high resolution in both elastic and plastic deformations.

Three-dimensional thin-film solid-state batteries (3D TSSB) were proposed by Long et al. in 2004 as a structure-based approach to simultaneously increase energy and power densities. Here, we report experimental realization of fully conformal 3D TSSBs, demonstrating the simultaneous power-and-energy benefits of 3D structuring. All active battery components - electrodes, solid electrolyte, and current collectors - were deposited by atomic layer deposition (ALD) onto standard CMOS processable silicon wafers microfabricated to form arrays of deep pores with aspect ratios up to approximately 10. The cells utilize an electrochemically prelithiated LiV2O5 cathode, a very thin (40-100 nm) Li2PO2N solid electrolyte, and a SnNx anode. The fabrication process occurs entirely at or below 250 °C, promising compatibility with a variety of substrates as well as integrated circuits. The multilayer battery structure enabled all-ALD solid-state cells to deliver 37 μAh/cm2·μm (normalized to cathode thickness) with only 0.02% per-cycle capacity loss. Conformal fabrication of full cells over 3D substrates increased the areal discharge capacity by an order of magnitude while simulteneously improving power performance, a trend consistent with a finite element model. This work shows that the exceptional conformality of ALD, combined with conventional semiconductor fabrication methods, provides an avenue for the successful realization of long-sought 3D TSSBs which provide power performance scaling in regimes inaccessible to planar form factor cells.