In recent years the use of security gateways (SG) located within the electrical grid distribution network has become pervasive. SGs in substations and renewable distributed energy resource aggregators (DERAs) protect power distribution control devices from cyber and cyber-physical attacks. When encrypted communications within a DER network is used, TCP/IP packet inspection is restricted to packet header behavioral analysis which in most cases only allows the SG to perform anomaly detection of blocks of time-series data (event windows). Packet header anomaly detection calculates the probability of the presence of a threat within an event window, but fails in such cases where the unreadable encrypted payload contains the attack content. The SG system log (syslog) is a time-series record of behavioral patterns of network users and processes accessing and transferring data through the SG network interfaces. Threatening behavioral pattern in the syslog are measurable using both anomaly detection and graph theory. In this paper it will be shown that it is possible to efficiently detect the presence of and classify a potential threat within an SG syslog using light-weight anomaly detection and graph theory.
A generic constant-efficiency energy flow model is commonly used in techno-economic analyses of grid energy storage systems. In practice, charge and discharge efficiencies of energy storage systems depend on state of charge, temperature, and charge/discharge powers. Furthermore, the operating characteristics of energy storage devices are technology specific. Therefore, generic constant-efficiency energy flow models do not accurately capture the system performance. In this work, we propose to use technology-specific nonlinear energy flow models based on nonlinear operating characteristics of the storage devices. These models are incorporated into an optimization problem to find the optimal market participation of energy storage systems. We develop a dynamic programming method to solve the optimization problem and perform two case studies for maximizing the revenue of a vanadium redox flow battery (VRFB) and a Li-ion battery system in Pennsylvania New Jersey Maryland (PJM) interconnection's energy and frequency regulation markets.
Two perspectives are used to reframe Simonton’s recent three-factor definition of creative outcome. The first perspective is functional: that creative ideas are those that add significantly to knowledge by providing both utility and learning. The second perspective is calculational: that learning can be estimated by the change in probabilistic beliefs about an idea’s utility before and after it has played out in its environment. The results of the reframing are proposed conceptual and mathematical definitions of (a) creative outcome as the product of two overarching factors (utility and learning) and (b) learning as a function of two subsidiary factors (blindness reduction and surprise). Learning will be shown to depend much more strongly on surprise than on blindness reduction, so creative outcome may then also be defined as “implausible utility.”.
Leakage along wellbores is of concern for a variety of applications, including sub-surface fluid storage facilities, geothermal wells, and CO2 storage wells. We have investigated whether corroded casing is permeable to gas and can serve as a leakage pathway along wellbores. Three specimens were prepared from laboratory steel plates corroded using different mechanisms to reflect different possible field conditions and produce a variety of corrosion rates. Single-phase gas flow measurements were made under a range of gas pressures to investigate flow in both the viscous and visco-inertial flow regimes. Tests were conducted at different confining stresses (range from 3.45 to 13.79 MPa) following both loading and unloading paths. The gas flow test results suggest corroded casing can serve as a significant leakage path along the axis of a wellbore. Transmissivity was found to be sensitive to the variation in confining stress suggesting that the corrosion product is deformable. Gas slip factors and the coefficients of inertial resistance of the corrosion product were comparable to those available in the literature for other porous media. Post-test examination of the corrosion product revealed it to be a heterogeneous, mesoporous material with mostly non-uniform slit type porosity. There was no discernable difference in the composition of corrosion product from specimens corroded by different mechanisms.
Stress intensity factors (SIFs) are used in continuum fracture mechanics to quantify the stress fields surrounding a crack in a homogeneous material in the linear elastic regime. Critical values of the SIFs define an intrinsic measure of the resistance of a material to propagate a crack. At atomic scales, however, fracture occurs as a series of atomic bonds breaking, differing from the continuum description. As a consequence, a formal analog of the continuum SIFs calculated from atomistic simulations can have spatially localized, microstructural contributions that originate from varying bond configurations. The ability to characterize fracture at the atomic scale in terms of the SIFs offers both an opportunity to probe the effects of chemistry, as well as how the addition of a microstructural component affects the accuracy. We present a novel numerical method to determine SIFs from molecular dynamics (MD) simulations. The accuracy of this approach is first examined for a simple model, and then applied to atomistic simulations of fracture in amorphous silica. MD simulations provide time and spatially dependent SIFs, with results that are shown to be in good agreement with experimental values for fracture toughness in silica glass.
We present a comprehensive physics investigation of electrothermal effects in III-V heterojunction bipolar transistors (HBTs) via extensive Technology Computer Aided Design (TCAD) simulation and modeling. We show for the first time that the negative differential resistances of the common-emitter output responses in InGaP/GaAs HBTs are caused not only by the well-known carrier mobility reduction, but more importantly also by the increased base-To-emitter hole back injection, as the device temperature increases from self-heating. Both self-heating and impact ionization can cause fly-backs in the output responses under constant base-emitter voltages. We find that the fly-back behavior is due to competing processes of carrier recombination and self-heating or impact ionization induced carrier generation. These findings will allow us to understand and potentially improve the safe operating areas and circuit compact models of InGaP/GaAs HBTs.
We parallelize the LU factorization of a hierarchical low-rank matrix (H-matrix) on a distributed-memory computer. This is much more difficult than the H-matrix-vector multiplication due to the dataflow of the factorization, and it is much harder than the parallelization of a dense matrix factorization due to the irregular hierarchical block structure of the matrix. Block low-rank (BLR) format gets rid of the hierarchy and simplifies the parallelization, often increasing concurrency. However, this comes at a price of losing the near-linear complexity of the H-matrix factorization. In this work, we propose to factorize the matrix using a “lattice H-matrix” format that generalizes the BLR format by storing each of the blocks (both diagonals and off-diagonals) in the H-matrix format. These blocks stored in the linear complexity of the-matrix format are referred to as lattices. Thus, this lattice format aims to combine the parallel scalability of BLR factorization with the near-linear complexity of linear complexity of the-matrix factorization. We first compare factorization performances using the L-matrix, BLR, and lattice H-matrix formats under various conditions on a shared-memory computer. Our performance results show that the lattice format has storage and computational complexities similar to those of the H-matrix format, and hence a much lower cost of factorization than BLR. We then compare the BLR and lattice (H-matrix factorization on distributed-memory computers. Our performance results demonstrate that compared with BLR, the lattice format with the lower cost of factorization may lead to faster factorization on the distributed-memory computer.
The emergence of deep learning as a leading computational workload for machine learning tasks on large-scale cloud infrastructure installations has led to plethora of accelerator hardware releases. However, the reduced precision and range of the floating-point numbers on these new platforms makes it a non-trivial task to leverage these unprecedented advances in computational power for numerical linear algebra operations that come with a guarantee of robust error bounds. In order to address these concerns, we present a number of strategies that can be used to increase the accuracy of limited-precision iterative refinement. By limited precision, we mean 16-bit floating-point formats implemented in modern hardware accelerators and are not necessarily compliant with the IEEE half-precision specification. We include the explanation of a broader context and connections to established IEEE floating-point standards and existing high-performance computing (HPC) benchmarks. We also present a new formulation of LU factorization that we call signed square root LU which produces more numerically balanced L and U factors which directly address the problems of limited range of the low-precision storage formats. The experimental results indicate that it is possible to recover substantial amounts of the accuracy in the system solution that would otherwise be lost. Previously, this could only be achieved by using iterative refinement based on single-precision floating-point arithmetic. The discussion will also explore the numerical stability issues that are important for robust linear solvers on these new hardware platforms.
Triangle counting is a representative graph problem that shows the challenges of improving graph algorithm performance using algorithmic techniques and adopting graph algorithms to new architectures. In this paper, we describe an update to the linear-algebraic formulation of the triangle counting problem. Our new approach relies on fine-grained tasking based on a tile layout. We adopt this task based algorithm to heterogeneous architectures (CPUs and GPUs) for up to 10.8x speed up over past year's graph challenge submission. This implementation also results in the fastest kernel time known at time of publication for real-world graphs like twitter (3.7 second) and friendster (1.8 seconds) on GPU accelerators when the graph is GPU resident. This is a 1.7 and 1.2 time improvement over previous state-of-the-art triangle counting on GPUs. We also improved end-to-end execution time by overlapping computation and communication of the graph to the GPUs. In terms of end-to-end execution time, our implementation also achieves the fastest end-to-end times due to very low overhead costs.
We present a comprehensive physics investigation of electrothermal effects in III-V heterojunction bipolar transistors (HBTs) via extensive Technology Computer Aided Design (TCAD) simulation and modeling. We show for the first time that the negative differential resistances of the common-emitter output responses in InGaP/GaAs HBTs are caused not only by the well-known carrier mobility reduction, but more importantly also by the increased base-To-emitter hole back injection, as the device temperature increases from self-heating. Both self-heating and impact ionization can cause fly-backs in the output responses under constant base-emitter voltages. We find that the fly-back behavior is due to competing processes of carrier recombination and self-heating or impact ionization induced carrier generation. These findings will allow us to understand and potentially improve the safe operating areas and circuit compact models of InGaP/GaAs HBTs.
This report summarizes the 2019 fiscal year (FY19) status of the borehole heater test in salt funded by the US Department of Energy Office of Nuclear Energy (DOE-NE) Spent Fuel and Waste Science & Technology (SFWST) campaign. This report satisfies SFWST level-three milestone report M3SF-19SN010303033. This report is an update of the April 2019 level-two milestone report M2SF-19SNO10303031 to reflect the nearly complete as-built status of the borehole heater test. This report discusses the fiscal year 2019 (FY19) design, implementation, and preliminary data interpretation plan for a set of borehole heater tests call the brine availability tests in salt (BATS), which is funded by the DOE Office of Nuclear Energy (DOE-NE) at the Waste Isolation Pilot Plant (WIPP), a DOE Office of Environmental Management (DOE-EM) site. The organization of BATS is outlined in Project Plan: Salt In-Situ Heater Test (SNL, 2018). An early design of the field test is laid out in Kuhlman et al. (2017), including extensive references to previous field tests, which illustrates aspects of the present test. The previous test plan by Stauffer et al. (2015) places BATS in the context of a multi-year testing strategy, which involves tests of multiple scales and processes, eventually culminating in a drift-scale disposal demonstration. This level-3 milestone report is an update of a level-2 milestone report from April 2019 by the same name. The update adds as-built details of the heater test, which at the time of writing (August 2019) is near complete implementation.
Single-photon detectors have historically consisted of macroscopic-sized materials but recent experimental and theoretical progress suggests new approaches based on nanoscale and molecular electronics. Here, we present a theoretical study of photodetection in a system composed of a quantum electronic transport channel functionalized by a photon absorber. Notably, the photon field, absorption process, transduction mechanism, and measurement process are all treated as part of one fully coupled quantum system, with explicit interactions. Using nonequilibrium, time-dependent quantum transport simulations, we reveal the unique temporal signatures of the single-photon detection process, and show that the system can be described using optical Bloch equations, with a new nonlinearity as a consequence of time-dependent detuning caused by the back-action from the transport channel via the dynamical Stark effect. We compute the photodetector signal-to-noise ratio and demonstrate that single-photon detection at high count rate is possible for realistic parameters by exploiting a unique nonequilibrium control of back-action.
The SNL EBS International activities were focused on two main collaborative efforts for FY19 — 1) Developing analytical tools to study and better understand multi-phase flow and coupled process physics in engineered barrier materials and at the interface between EBS materials and host media, and 2) Benchmarking of reactive transport codes (including PFLOTRAN) used for chemical evolution of cementitious EBS components. Topic 1 is being studied as part of the SKB EBS Task Force, while Topic 2 is being pursued as a collaboration with researchers from Vanderbilt University and NRG in the the Netherlands.
A preliminary study on the microstructural characteristics and stress corrosion cracking susceptibility of a friction stir welded (FSW) 304L stainless steel plate was carried out. The weld examined was characterized by several typical microstructural features of friction stir welds including a gradient of dynamically recrystallized microstructure with distinct material flow patterns reflective of the complex distribution of thermomechanical histories. Evidence of process-induced microstructural sensitization was lacking Immersion testing of the friction stir welded plate in boiling magnesium chloride solution indicated the FSW region was more susceptible to SCC than the base 304L material, especially along the weld toes. The microstructural origins of this SCC susceptibility are not clear, but it is likely driven by residual stress imparted by the welding process. Future work will focus on direct examination of the SCC damaged microstructure and residual stress of the weld zone to further clarify the operative characteristics controlling SCC susceptibility.
This report will describe an improved computer code for two-photon opacity. The new code incorporates many recent advances and is ready to start to face the experiments. It incorporates the difficult mathematical techniques for handling free states and free-free matrix elements.
This report is based on discussions held during an unclassified workshop hosted by Sandia National Laboratories (SNL) and the Council on Strategic Risks (CSR) on August 29, 2019. The first in a planned series, this workshop brought together experts from government, national laboratories, academia, industry, and the policy and entrepreneur communities to examine the potential to use strategy, technology advances, policy, and other tools to make bioweapons obsolete. The workshop provided participants with a rare opportunity to step back from their day-to-day jobs and think strategically about how to achieve this goal more effectively and rapidly. The conversation was held under the Chatham House Rule. The objective was to generate and share ideas and identify questions that will be critical to answer in pursuit of making bioweapons obsolete. Its purpose was not to create consensus. This report does not represent consensus among participants, nor does it assign specific perspectives to any individual participant or represent the official views of any United States (U.S.) government agency or the organizing institutions namely, SNL and CSR.
Luketa, Anay; Blanchat, Thomas K.; Lord, David; Hogge, Joseph; Cruz-Cabrera, Alvaro A.; Allen, Ray
This report describes an experimental study of physical, chemical, and combustion characteristics of selected North American crude oils, and how these associate with thermal hazard distances resulting from pool fires and fireballs. The emergence of large volumes of tight oils within the North American Transportation system over the last decade coupled with several high-profile train accidents involving crude oils, has raised questions about the role of oil properties in general, and tight oils in particular, in affecting the severity of hazard outcomes in related crude oil fires. The objective of the pool fire experiments is to measure parameters necessary for hazard evaluation, namely, burn rate, surface emissive power, flame height, and heat flux to an engulfed object. To carry out this objective, a series of 2-m diameter indoor and 5-m diameter outdoor experiments were performed. The objective of the fireball experiments is to measure parameters required for hazard evaluation which include fireball maximum diameter, height at maximum diameter, duration, and surface emissive power using 400-gallons of crude oil per test. The crude oil samples used for the experiments were obtained from several U.S. locations, including including “tight” oils from the Bakken region of North Dakota and Permian region of Texas, and a conventionally produced oil from the U.S. Strategic Petroleum Reserve stockpile. These samples spanned a measurable range of vapor pressure (VPCRx(T)) and light ends content representative of U.S. domestic conventional and tight crudes. The results indicate that all the oils tested here have comparable thermal hazard distances and the measured properties are consistent with other alkane-based hydrocarbon liquids. The similarity of pool fire and fireball burn characteristics pertinent to thermal hazard outcomes of the three oils studied indicate that vapor pressure is not a statistically significant factor in affecting these outcomes. Thus, the results from this work do not support creating a distinction for crude oils based on vapor pressure with regards to these combustion events.
The study of both linear and nonlinear structural vibrations routinely circles the concise yet complex problem of choosing a set of coordinates which yield simple equations of motion. In both experimental and mathematical methods, that choice is a difficult one because of measurement, computational, and interpretation difficulties. Often times, researchers choose to solve their problems in terms of linear, undamped mode shapes because they are easy to obtain; however, this is known to give rise to complicated phenomena such as mode coupling and internal resonance. This work considers the nature of mode coupling and internal resonance in systems containing non-proportional damping, linear detuning, and cubic nonlinearities through the method of multiple scales as well as instantaneous measures of effective damping. The energy decay observed in the structural modes is well approximated by the slow-flow equations in terms of the modal amplitudes, and it is shown how mode coupling enhances the damping observed in the system. Moreover, in the presence of a 3:1 internal resonance between two modes, the nonlinearities not only enhance the dissipation, but can allow for the exchange and transfer of energy between the resonant modes. However, this exchange depends on the resonant phase between the modes and is proportional to the energy in the lowest mode. The results of the analysis tie together interpretations used by both experimentalists and theoreticians to study such systems and provide a more concrete way to interpret these phenomena.
IEEE Transactions on Geoscience and Remote Sensing
Krishnamoorthy, Siddharth; Lai, Voon H.; Komjathy, Attila; Pauken, Michael T.; Cutts, James A.; Garcia, Raphael F.; Mimoun, David; Jackson, Jennifer M.; Bowman, Daniel C.; Kassarian, Ervan; Martire, Leo; Sournac, Anthony; Cadu, Alexandre
Seismology on Venus has long eluded planetary scientists due to extreme temperature and pressure conditions on its surface, which most electronics cannot withstand for mission durations required for ground-based seismic studies. Here, we show that infrasonic (low-frequency) pressure fluctuations, generated as a result of ground motion, produced by an artificial seismic source known as a seismic hammer, and recorded using sensitive microbarometers deployed on a tethered balloon, are able to replicate the frequency content of ground motion. We also show that weak, artificial seismic activity thus produced may be geolocated by using multiple airborne barometers. The success of this technique paves the way for balloon-based aero-seismology, leading to a potentially revolutionary method to perform seismic studies from a remote airborne station on the earth and solar system objects with substantial atmospheres such as Venus and Titan.
Magnetically launched flyer plates were used to investigate the shock response of beryllium between 90 and 300 GPa. Solid aluminum flyer plates drove steady shocks into polycrystalline beryllium to constrain the Hugoniot from 90 to 190 GPa. Multilayered copper/aluminum flyer plates generated a shock followed by an overtaking rarefaction which was used to determine the sound velocity in both solid and liquid beryllium between 130 and 300 GPa. Disappearance of the longitudinal wave was used to identify the onset of melt along the Hugoniot and measurements were compared to density functional theory calculations to explore the proposed hcp-bcc transition at high pressure. The onset of melt along the Hugoniot was identified at ∼205GPa, which is in good agreement with theoretical predictions. These results show no clear indication of an hcp-bcc transition prior to melt along the beryllium Hugoniot. Rather, the shear stress, determined from the release wave profiles, was found to gradually decrease with stress and eventually vanish at the onset of melt.
Buchholz, Stuart; Keffeler, Evan; Lipp, Karla; Devries, Kerry; Hansen, Francis
The 10th US/German Workshop on Salt Repository Research, Design, and Operation was hosted by RESPEC and South Dakota School of Mines & Technology, both located in the Black Hills of South Dakota. Over 60 registered participants representing Germany, United States, the Netherlands, and the United Kingdom availed themselves to excellent facilities on the School of Mines campus. As the 10th annual workshop, this occasion is a milestone of the modern era of collaboration between the US and Germany, which has extended to other countries with potential for radioactive waste disposal in salt. Thrust areas covered in the annual workshops are selected by participants and typically include elements of continuity from year to year. This year's themes included siting, modeling challenges, seal systems and materials, operational safety, and special topics. Two major breakout sessions addressed test sample conditioning and natural closure of salt openings. When the new-generation US/German workshops were conceived, one goal was to identify challenging issues related to salt repository sciences and then conduct open discussions in special breakout sessions. These timely sessions achieve the workshop paradigm and provide in-depth dialogue on important salt repository considerations. In many respects, general themes of these salt repository workshops reflect advances in the scientific basis for nuclear-waste disposal in salt formations and develop naturally as a consequence of unremitting attention largely as a result of the workshop commitment. Technical capabilities in the laboratory and field continue to improve in concert with accumulating experience. Because we are working together, mechanical deformation at the micro-scale can be interpreted at a large scale, which is fundamental to predictive modeling of salt repository evolution. This document records the Proceedings of the 2019 gathering of salt repository nations and has been compiled by RESPEC, demonstrating an adopted protocol in which the host organization creates that year's Proceedings. To assist with organization and compilation, individual chapters are summarized by volunteer subject-matter experts from the participatory audience; these contributors are recognized in the Acknowledgements. All formal presentations are included in this document, thus providing a resource for referencing and many excellent photographic images. Appendices include the agenda, list of participants, abstracts, and presentations. A primary purpose for recording workshop activities is to create and sustain an accessible record of salt repository research. These archives also illustrate transparent development of research areas each year.
Jasica, M.J.; Kulcinski, Gerald L.; Santarius, John F.
The ITER divertor will feature tungsten monoblocks as the plasma-facing component (PFC) that will be subject to extreme temperature and radiation environments. This paper reports the development of surface morphologies on tungsten under helium bombardment at high temperatures, which has important implications for safety, retention, and PFC erosion. Polycrystalline tungsten samples were implanted in the Dual Advanced Ion Simultaneous Implantation Experiment dual-beam ion implantation experiment at the University of Wisconsin-Madison with He-only and simultaneous He-D implantation at incidence angles of 55 deg, ion energies of 30 keV, and surface temperatures of 900°C to 1100°C. Morphologies resulting from angled incidence conditions differed from those produced under normal incidence bombardment at similar energy and temperature conditions in previous work. A variety of ordered and disordered morphologies dependent on grain orientation were observed for fluences up to 6 × 1018 He cm−2. These morphologies displayed dependencies on crystal orientation at low fluences and incident beam directions at higher fluences. These structures appeared, with variation, under both single-species He and mixed He-D implantations.
We present various approximations to joint chance constraints arising in two-stage stochastic programming models. Our approximations are derived from three classical inequalities: Markov's inequality, Chebysev's inequality, and Chernoff's bound. We provide preliminary computational results illustrating the quality of our approximation using a two-stage joint-chance-constrained stochastic program from the literature. We also briefly introduce other alternatives for constructing approximations for joint-chance-constrained two-stage programs.
We propose a method that exploits sparse representation of potential energy surfaces (PES) on a polynomial basis set selected by compressed sensing. The method is useful for studies involving large numbers of PES evaluations, such as the search for local minima, transition states, or integration. We apply this method for estimating zero point energies and frequencies of molecules using a three step approach. In the first step, we interpret the PES as a sparse tensor on polynomial basis and determine its entries by a compressed sensing based algorithm using only a few PES evaluations. Then, we implement a rank reduction strategy to compress this tensor in a suitable low-rank canonical tensor format using standard tensor compression tools. This allows representing a high dimensional PES as a small sum of products of one dimensional functions. Finally, a low dimensional Gauss–Hermite quadrature rule is used to integrate the product of sparse canonical low-rank representation of PES and Green’s function in the second-order diagrammatic vibrational many-body Green’s function theory (XVH2) for estimation of zero-point energies and frequencies. Numerical tests on molecules considered in this work suggest a more efficient scaling of computational cost with molecular size as compared to other methods.
The fundamental understanding of photoexcitation landscape and dynamics in hybrid organic-inorganic perovskites is essential for improving their performance in solar cells and other applications. The dual emission features from the orthorhombic phase in perovskites have been the focus of numerous recent studies, and yet their underlying molecular origin remains elusive. We use optical two-dimensional coherent spectroscopy to study the carrier dynamics and coupling of the dual emissions in a methylammonium lead iodide film at 115 K. The two-dimensional spectra reveal an ultrafast redistribution of the photoexcited carriers into the two emission resonances within 250 fs. The high-energy resonance is a short-lived transient state, and the low-energy emission state interacts with coherent phonons. The observed carrier dynamics provide important experimental evidence that can be compared with potential theoretical models and contribute to the understanding of the dual emissions as well as the overall energy level structure in hybrid organic-inorganic perovskites.
Tallman, Aaron E.; Stopka, Krzysztof S.; Swiler, Laura P.; Wang, Yan; Kalidindi, Surya R.; Mcdowell, David L.
Data-driven tools for finding structure–property (S–P) relations, such as the Materials Knowledge System (MKS) framework, can accelerate materials design, once the costly and technical calibration process has been completed. A three-model method is proposed to reduce the expense of S–P relation model calibration: (1) direct simulations are performed as per (2) a Gaussian process-based data collection model, to calibrate (3) an MKS homogenization model in an application to α-Ti. The new methods are compared favorably with expert texture selection on the performance of the so-calibrated MKS models. Benefits for the development of new and improved materials are discussed.
Hadland, Erik; Falmbigl, Matthias; Medlin, Douglas L.; Johnson, David C.
A significant experimental challenge in testing proposed relationships between structure and properties is the synthesis of targeted structures with atomistic control over both the structure and the composition. SnSe2(MoSe2)1.32 was synthesized to test the hypothesis that the low-temperature synthesis of two interleaved structures would result in complete turbostratic disorder and that the disorder would result in ultralow thermal conductivity. SnSe2(MoSe2)1.32 was prepared by depositing elements to form a precursor containing Sn|Se and Mo|Se bilayers, each containing the number of atoms required to form single dichalcogenide planes. The nanoarchitecture of alternating Sn and Mo layers is preserved as the dichalcogenide planes self-assemble at low temperatures. The resulting compound contains well-formed dichalcogenide planes that closely resemble that found in the binary compounds and extensive turbostratic disorder. As expected from proposed structure-property relationships, the thermal conductivity of SnSe2(MoSe2)1.32 is ultralow, ∼0.05 W m-1 K-1.
We report a novel approach whereby cross-linked polybutadiene (PB) networks can be depolymerized in situ based on thermally activated alkene metathesis. A commercially available latent Ru catalyst, HeatMet, was compared to the common second-generation Hoveyda-Grubbs catalyst, HG2, in the metathetic depolymerization of PB. HeatMet was found to possess exceptional stability and negligible activity toward PB under ambient conditions, in solution and in bulk. This enabled cross-linked networks to be prepared containing homogeneously distributed Ru catalyst. The dynamic mechanical properties of networks containing HeatMet and cross-linked using alcohol-isocyanate or thiol-ene chemistry were evaluated during cross-linking and post-cross-linking under isothermal and nonisothermal heating. In both cases, above minimum catalyst loadings ranging from 0.004 to 0.024 mol %, the networks exhibited rapid degelation into a soluble oil upon heating to 100 °C. At these temperatures, extensive depolymerization of the PB segments through ring-closing metathesis of 1,4/1,2 diads by the activated HeatMet introduced network defects in significantly greater proportion than the original number of cross-links. The in situ depolymerization of cross-linked PB networks through latent catalysis, as described here, may enable facile disposal and recycling of PB encapsulants and adhesives, among other applications.
This report presents the code verification of EMPIRE-PIC to the analytic solution to a cold diode which was first derived by Jaffe. The cold diode was simulated using EMPIRE-PIC and the error norms were computed based on the Jaffe solution. The diode geometry is one-dimensional and uses the EMPIRE electrostatic field solver. After a transient start-up phase as the electrons first cross the anode-cathode gap, the simulations reach an equilibrium where the electric potential and electric field are approximately steady. The expected spatial order of convergence for potential, electric field and particle velocity are observed.
Iodine detection is crucial for nuclear waste clean-up and first responder activities. For ease of use and durability of response, robust active materials that enable the direct electrical detection of I2 are needed. Herein, a large reversible electrical response is demonstrated as I2 is controllably and repeatedly adsorbed and desorbed from a series of metal-organic frameworks (MOFs) MFM-300(X), each possessing a different metal center (X = Al, Fe, In, or Sc) bridged by biphenyl-3,3′,5,5′-tetracarboxylate linkers. Impedance spectroscopy is used to evaluate how the different metal centers influence the electrical response upon cycling of I2 gas, ranging from 10× to 106× decrease in resistance upon I2 adsorption in air. This large variation in electrical response is attributed not only to the differing structural characteristics of the MOFs but also to the differing MOF morphologies and how this influences the degree of reversibility of I2 adsorption. Interestingly, MFM-300(Al) and MFM-300(In) displayed the largest changes in resistance (up to 106×) yet lost much of their adsorption capacity after five I2 adsorption cycles in air. On the other hand, MFM-300(Fe) and MFM-300(Sc) revealed more moderate changes in resistance (10-100×), maintaining most of their original adsorption capacity after five cycles. This work demonstrates how changes in MOFs can profoundly affect the magnitude and reversibility of the electrical response of sensor materials. Tuning both the intrinsic (resistivity and adsorption capacity) and extrinsic (surface area and particle morphology) properties is necessary to develop highly reversible, large signal-generating MOF materials for direct electrical readout for I2 sensing.
Computational prediction of ductile failure remains a challenging and important problem as demonstrated by the recent Sandia Fracture Challenges. In addition to emphasizing the complexity of such problems, the variety of solution strategies also highlighted the number of possible approaches to this problem. A common engineering approach for such efforts is to use a failure model in conjunction with element deletion. In the second Sandia Fracture Challenge, for instance, nine of the fourteen teams used some form of element deletion. For such schemes, a critical decision pertains to the selection of the appropriate failure model; of which many may be found in the literature (see the review of Corona and Reedlunn). The variety may also be observed in the aforementioned second Sandia Fracture Challenge in which at least eight different failure criteria are listed for the nine element deletion based approaches. The selection of the appropriate failure model is a difficult challenge depending on the material being considered and such criteria can variously depend on stress state (i.e. triaxiality, Lode angle) and loading conditions (i.e. strain rate, temperature). Separate implementations of each criteria with different plasticity models can be a repetitive and cumbersome process which may limit available models for an engineering analyst. To mitigate this issue, an effort was pursued to flexibly implement failure models in which different failure models could be specified and utilized within the same elastic-plastic constitutive routine by simply changing the input syntax. Similarly, the same models are implemented across a suite of elastic-plastic formulations enabling consistent definitions. As will be discussed later, a specific "modular failure" model is also implemented which allows for the selection or specification of different dependencies depending on the current need. At this stage, this effort is limited to defining failure models; progression/damage evolution in the constitutive model is not treated and left to future efforts.
Glass-ceramics are a unique class of materials in which the growth of a ceramic phase(s) may be induced in an inorganic glass resulting in a microstructurally heterogeneous material with both glass and ceramic phases. This specialized processing is often referred to as "ceramming''. A wide variety of such materials have been developed through the use of different initial glass compositions and thermomechanical processing routes and that have enabled applications in dentistry, consumer kitchenware, and telescopes mirrors. These materials may also exhibit large apparent coefficients of thermal expansion making them attractive for consideration in glass-ceramic seals. These large apparent coefficients of thermal expansion often arise from silica polymorphs, such as cristobalite, undergoing a solid-to-solid phase transformations producing additional non-linearity in the effective material response.
In order to determine a material's hydrogen storage potential, capacity measurements must be robust, reproducible, and accurate. Commonly, research reports focus on the gravimetric capacity, and often times the volumetric capacity is not reported. Determining volumetric capacities is not as straight-forward, especially for amorphous materials. This is the first study to compare measurement reproducibility across laboratories for excess and total volumetric hydrogen sorption capacities based on the packing volume. The use of consistent measurement protocols, common analysis, and figure of merits for reporting data in this study, enable the comparison of the results for two different materials. Importantly, the results show good agreement for excess gravimetric capacities amongst the laboratories. Irreproducibility for excess and total volumetric capacities is attributed to real differences in the measured packing volume of the material.
We present a new, distributed-memory parallel algorithm for detection of degenerate mesh features that can cause singularities in ice sheet mesh simulations. Identifying and removing mesh features such as disconnected components (icebergs) or hinge vertices (peninsulas of ice detached from the land) can significantly improve the convergence of iterative solvers. Because the ice sheet evolves during the course of a simulation, it is important that the detection algorithm can run in situ with the simulation - - running in parallel and taking a negligible amount of computation time - - so that degenerate features (e.g., calving icebergs) can be detected as they develop. We present a distributed memory, BFS-based label-propagation approach to degenerate feature detection that is efficient enough to be called at each step of an ice sheet simulation, while correctly identifying all degenerate features of an ice sheet mesh. Our method finds all degenerate features in a mesh with 13 million vertices in 0.0561 seconds on 1536 cores in the MPAS Albany Land Ice (MALI) model. Compared to the previously used serial pre-processing approach, we observe a 46,000x speedup for our algorithm, and provide additional capability to do dynamic detection of degenerate features in the simulation.
This report is a summary of the international collaboration and laboratory work funded by the US Department of Energy Office (DOE) of Nuclear Energy Spent Fuel and Waste Science & Technology (SFWST) as part of the Sandia National Laboratories Salt R&D work package. This report satisfies milestone level-four milestone M4SF-19SNO10303064. Several stand-alone sections make up this summary report, each completed by the participants. The first two sections discuss international collaborations on geomechanical benchmarking exercises (WEIMOS), granular salt reconsolidation (KOMPASS), engineered barriers (RANGERS), and documentation of Features, Events, and Processes (FEPs).
This report represents completion of milestone deliverable M2SF-19SNO10309013 "Online Waste Library (OWL) and Waste Forms Characteristics Annual Report" that reports annual status on fiscal year (FY) 2019 activities for the work package SF-19SN01030901 and is due on August 2, 2019. The online waste library (OWL) has been designed to contain information regarding United States (U.S.) Department of Energy (DOE)-managed (as) high-level waste (DHLW), spent nuclear fuel (SNF), and other wastes that are likely candidates for deep geologic disposal, with links to the current supporting documents for the data (when possible; note that no classified or official-use-only (OUO) data are planned to be included in OWL). There may be up to several hundred different DOE-managed wastes that are likely to require deep geologic disposal. This annual report on FY2019 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the beta testing and changes implemented from it. Also added are descriptions of the management/control processes for the OWL development, version control, and archiving. These processes have been implemented as part of the full production release of OWL (i.e., OWL Version 1.0), which has been developed on, and will be hosted and managed on, Sandia National Laboratories (SNL) systems. The version control/update processes will be implemented for updates to the OWL in the future. Additionally, another process covering methods for interfacing with the DOE SNF Database (DOE 2007) at Idaho National Laboratory on the numerous entries for DOE-managed SNF (DSNF) has been pushed forward by defining data exchanges and is planned to be implemented sometime in FY2020. The INL database is also sometimes referred to as the Spent Fuel Database or the SFDB, which is the acronym that will be used in this report. Once fully implemented, this integration effort will serve as a template for interfacing with additional databases throughout the DOE complex.
Architected structural metamaterials, also known as lattice, truss, or acoustic materials, provide opportunities to produce tailored effective properties that are not achievable in bulk monolithic materials. These topologies are typically designed under the assumption of uniform, isotropic base material properties taken from reference databases and without consideration for sub-optimal as-printed properties or off-nominal dimensional heterogeneities. However, manufacturing imperfections such as surface roughness are present throughout the lattices and their constituent struts create significant variability in mechanical properties and part performance. This study utilized a customized tensile bar with a gauge section consisting of five parallel struts loaded in a stretch (tensile) orientation to examine the impact of manufacturing heterogeneities on quasi-static deformation of the struts, with a focus on ultimate tensile strength and ductility. The customized tensile specimen was designed to prevent damage during handling, despite the sub-millimeter thickness of each strut, and to enable efficient, high-throughput mechanical testing. The strut tensile specimens and reference monolithic tensile bars were manufactured using a direct metal laser sintering (also known as laser powder bed fusion or selective laser melting) process in a precipitation hardened stainless steel alloy, 17-4PH, with minimum feature sizes ranging from 0.5-0.82 mm, comparable to minimum allowable dimensions for the process. Over 70 tensile stress-strain tests were performed revealing that the effective mechanical properties of the struts were highly stochastic, considerably inferior to the properties of larger as-printed reference tensile bars, and well below the minimum allowable values for the alloy. Pre- and post-test non-destructive analyses revealed that the primary source of the reduced properties and increased variability was attributable to heterogeneous surface topography with stress-concentrating contours and commensurate reduction in effective load-bearing area.
In a previous paper, we described a new abstract circuit model for reversible computation called asynchronous ballistic reversible computing (ABRC), in which localized information-bearing pulses propagate ballistically along signal paths between stateful abstract devices and elastically scatter off those devices serially, while updating the device state in a logically-reversible and deterministic fashion. The ABRC model has been shown to be capable of universal computation. In the research reported here, we begin exploring how the ABRC model might be realized in practice using single flux quantum solitons (fluxons) in superconducting Josephson junction (JJ) circuits. One natural family of realizations could utilize fluxon polarity to represent binary data in individual pulses propagating near-ballistically, along discrete or continuous long Josephson junctions or microstrip passive transmission lines, and utilize the flux charge (-1, 0, +1) of a JJ-containing superconducting loop with Φ0 < IcL < 2Φ0 to encode a ternary state variable internal to a device. A natural question then arises as to which of the definable abstract ABRC device functionalities using this data representation might be implementable using a JJ circuit that dissipates only a small fraction of the input fluxon energy. We discuss conservation rules and symmetries considered as constraints to be obeyed in these circuits, and begin the process of classifying the possible ABRC devices in this family having up to three bidirectional I/O terminals, and up to three internal states.
This paper explores the revenue potential for electric storage resources (ESRs), also referred to as electrical energy storage, in the Southwest Power Pool Integrated Marketplace. In particular, opportunities in the day-ahead market with the energy and frequency regulation products are considered. The revenue maximization problem is formulated as a linear program model, where an ESR seeks to maximize its revenue through the available revenue streams. The ESR has perfect foresight of historical prices and determines the optimal policy accordingly. A case study using FY2018 data shows that frequency regulation services are the most lucrative for revenue potential. This paper also explores different methods of using area control error data to infer the regulation control signal and the consequent effect on the optimization. Finally, the paper conducts a sensitivity analysis of ESR payback period to energy capacity and power rating.
We present experimental studies of atom-ion collisions using buffer-gas cooled, trapped ytterbium (Yb+) ions immersed in potassium (K) vapor. The range of the collisional temperature is on the order of several hundred kelvin (thermal regime). We have determined various collisional rate coefficients of the Yb+ ion per K-atom number density. We find the upper bounds of charge-exchange rate coefficients κce to be (12.7±1.6)×10-14cm3s-1 for K-Yb+171 and (5.3±0.7)×10-14cm3s-1 for K-Yb+172. For both isotopes, the spin-destruction rate coefficient κsd has an upper bound at (1.46±0.77)×10-9cm3s-1. The spin-exchange rate coefficient κse is measured to be (1.64±0.51)×10-9cm3s-1. The relatively low charge-exchange rate reported here demonstrates the advantage of using K atoms to sympathetically cool Yb+ ions and the relatively high spin-exchange rate may benefit research work in quantum metrology and quantum information processing on an atom-ion platform using K atoms and Yb+ ions.
In this study, a multiscale electron microscopy-based approach is applied to understanding how different aspects of the microstructure in a notched AA6061-T6, including grain boundaries, triple junctions, and intermetallic particles, promote localized dislocation accumulation as a function of applied tensile strain and depth from the sample surface. Experimental measurements and crystal plasticity simulations of dislocation distributions as a function of distance from specified microstructural features both showed preferential dislocation accumulation near intermetallic particles relative to grain boundaries and triple junctions. High resolution electron backscatter diffraction and site-specific transmission electron microscopy characterization showed that high levels of dislocation accumulation near intermetallic particles led to the development of an ultrafine sub-grain microstructure, indicative of a much higher level of local plasticity than predicted from the coarser measurements and simulations. In addition, high resolution measurements in front of a crack tip suggested a compounding influence of intermetallic particles and grain boundaries in dictating crack propagation pathways.
Use of insensitive high explosives (IHEs) has significantly improved ammunition safety because of their remarkable insensitivity to violent cook-off, shock and impact. Triamino-trinitrobenzene (TATB) is the IHE used in many modern munitions. Previously, lightning simulations in different test configurations have shown that the required detonation threshold for standard density TATB at ambient and elevated temperatures (250 C) has a sufficient margin over the shock caused by an arc from the most severe lightning. In this paper, the Braginskii model with Lee-More channel conductivity prescription is used to demonstrate how electrical arcs from lightning could cause detonation in TATB. The steep rise and slow decay in typical lightning pulse are used in demonstrating that the shock pressure from an electrical arc, after reaching the peak, falls off faster than the inverse of the arc radius. For detonation to occur, two necessary detonation conditions must be met: the Pop-Plot criterion and minimum spot size requirement. The relevant Pop-Plot for TATB at 250 C was converted into an empirical detonation criterion, which is applicable to explosives subject to shocks of variable pressure. The arc cross-section was required to meet the minimum detonation spot size reported in the literature. One caveat is that when the shock pressure exceeds the detonation pressure the Pop-Plot may not be applicable, and the minimum spot size requirement may be smaller.
The Virtual Fields Method (VFM) is an inverse technique used for parameter estimation and calibration of constitutive models. Many assumptions and approximations—such as plane stress, incompressible plasticity, and spatial and temporal derivative calculations—are required to use VFM with full-field deformation data, for example, from Digital Image Correlation (DIC). This work presents a comprehensive discussion of the effects of these assumptions and approximations on parameters identified by VFM for a viscoplastic material model for 304L stainless steel. We generated synthetic data from a Finite-Element Analysis (FEA) in order to have a reference solution with a known material model and known model parameters, and we investigated four cases in which successively more assumptions and approximations were included in the data. We found that VFM is tolerant to small deviations from the plane stress condition in a small region of the sample, and that the incompressible plasticity assumption can be used to estimate thickness changes with little error. A local polynomial fit to the displacement data was successfully employed to compute the spatial displacement gradients. The choice of temporal derivative approximation (i.e., backwards difference versus central difference) was found to have a significant influence on the computed rate of deformation and on the VFM results for the rate-dependent model used in this work. Finally, the noise introduced into the displacement data from a stereo-DIC simulator was found to have negligible influence on the VFM results. Evaluating the effects of assumptions and approximations using synthetic data is a critical first step for verifying and validating VFM for specific applications. The results of this work provide the foundation for confidently using VFM for experimental data.
Thin tellurium (Te) has been predicted as a potential two dimensional system exhibiting superior thermoelectric and electrical properties. Here, we report the synthesis of high quality ultrathin Te nanostructures and the study of their electrical properties at room temperature. High quality ultrathin Te nanostructures are obtained by high temperature vapor phase deposition on c-plane sapphire substrates. The obtained nanostructures are as thin as 3 nm and exhibit α-Te phase with trigonal crystal structure. Room temperature electrical measurements show significantly higher electrical conductivity compared to prior reports of Te in bulk form or in nanostructure form synthesized by low temperature vapor deposition or wet chemical methods. Additionally, these nanostructures exhibit high field effect hole mobility comparable to black-phosphorous measured previously under similar conditions.
2019 IEEE Electric Ship Technologies Symposium, ESTS 2019
Weaver, Wayne W.; Bijaieh, Mehrzad M.; Robinett, Rush D.; Wilson, David G.
Pulsed power loads (PPLs) are highly non-linear and can cause significant stability and power quality issues in a microgrid. One way to mitigate many of these issues is by designing an Energy Storage System (ESS) to offset the PPL. This paper provides a baseline for ESS control and specifications to mitigate the effects of PPL's. ESS will maintain a constant bus voltage and decouple the generation sources from the PPL. The ESS specifications are realized with ideal, band-limited hybrid battery and flywheels models and simulated to demonstrate the efficacy of the control system.
Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the United States Department of Energy (DOE) National Nuclear Security Administration. The National Nuclear Security Administration's Sandia Field Office administers the contract and oversees contractor operations at Sandia National Laboratories, New Mexico. Activities at the site support research and development programs with a wide variety of national security missions, resulting in technologies for nonproliferation, homeland security, energy and infrastructure, and defense systems and assessments. DOE and its management and operating contractor for Sandia are committed to safeguarding the environment reassessing sustainability practices and ensuring the validity and accuracy of the monitoring data presented in this Annual Site Environmental Report. This report summarizes the environmental protection and monitoring programs in place at Sandia National Laboratories, New Mexico, during calendar year 2018. Environmental topics include air quality, ecology, environmental restoration, oil storage, site sustainability, terrestrial surveillance, waste management, water quality, and implementation of the National Environmental Policy Act. This report is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety, and Health Reporting and has been approved for public distribution.
The 2018 Predictive Engineering Science Panel (PESP) is pleased with Sandia's response to our 2018 PESP Final Report recommendations. We have read the response memorandum, applaud the overall Electromagnetic Radiation (EMR) Action Plan and Path Forward and compliment Sandia's progress to date. The panel identifies no pressing issues and proposes no course corrections. The panel does offer two high-level suggestions for the Advanced Simulation and Computing (ASC) Program Office.
Scientific computing is no longer be purely about how fast computations can be performed. Energy constraints, processor changes, and I/0 limitations necessitate significant changes in both the software applications used in scientific computation and the ways in which scientists use them. Components for modeling, simulation, analysis, and visualization must work together in a computational ecosystem, rather than working independently as they have in the past. The XVis project provides the necessary research and infrastructure for scientific discovery in this new computational ecosystem by addressing four interlocking challenges: emerging processor technology, in situ integration, usability, and proxy analysis. This report reviews the accomplishments of the XVis project to prepare scientific visualization for Exascale computing.
The results of a computational analysis of self-shielding factors are presented. The analysis highlights the total self-shielding, which is a combination of energy and spatial self-shielding, associated with different neutron detection materials. The Monte Carlo N-Particle (MCNP) transport code was used in conjunction with the Evaluated Nuclear Data File (ENDF) and the International Reactor Dosimetry and Fusion Files (IRDFF). This analysis was done with neutron activation analysis in mind, and therefore is modeled and presented in a similar fashion.
Loc003D is a software tool that computes geographical locations for seismic events at regional to global scales. This software has a rich set of features, including the ability to use custom 3D velocity models, correlated observations and master event locations. The Loc003D software is especially useful for research related to seismic monitoring applications, since it allows users to easily explore a variety of location methods and scenarios and is compatible with the CSS3.0 software format used in monitoring applications. The Loc003D software is available on the web at: www.sandia.gov/salsa3d/Software.html The software is packaged with this user's manual and a set of example datasets, the use of which is described in this manual.
The primary goal of this project is to gather and analyze data supporting development of diagnostic tests and vaccines to mitigate contagious caprine pleuropneumonia in Pakistan. This disease of primarily goats and sheep is a substantial burden to agricultural productivity and survival of farmers and families in Pakistan. During this phase of the project, we have collected and analyzed (genome sequencing) clinical samples from a broad affected region in Pakistan. Preliminary results show that there are at least two distinct clades (variants) of the organism prevalent in different regions of the country. This information, combined with our planned efforts in the coming year, will help identify better methods to diagnose and vaccinate herds against this pathogen. Our vision is that this work will improve critical livestock health in Pakistan, and consequently economic and social stability.
The ability to print polymeric materials at a high volume rate (~1000 in3/hr) has been demonstrated by Oak Ridge National Lab's (ORNL) Manufacturing Demonstration Facility (MDF) and shows promise for new opportunities in Additive Manufacturing (AM), particularly in the rapid fabrication of tooling equipment for prototyping. However, in order to be effective, the polymeric materials require a metallic coating akin to tool steels to survive the mechanical and thermal environments for their intended application. Thus, the goal of this project was to demonstrate a pathway for metallizing Big Area Additive Manufactured (BAAM) polymers using a Twin Wire Arc (TWA) spray coating process. Key problems addressed in this study were the adhesion of sprayed layers to the BAA1V1 polymer substrates and demonstration of hardness and compression testing of the metallized layers.
One promising method for solar energy storage is Solar Thermochemical Hydrogen (STCH) production. This two-step thermochemical process utilizes nonstoichiometric metal oxides to convert solar energy into hydrogen gas. The oxide first undergoes reduction via exposure to heat generated from concentrated solar power. When subsequently exposed to steam, the reduced oxide splits water molecules through its re-oxidation process, thus producing hydrogen gas. The viability of STCH depends on identifying redox-active materials that have fast redox kinetics, structural stability and low reduction temperatures. Complex perovskite oxides show promise for more efficient hydrogen production at lower reduction temperatures than current materials. In this work, a stagnation flow reactor was used to characterize the water splitting capabilities of BaCe0.25Mn0.75O3(BCM). In the future, the method outlined will be used to characterize structural analogues of BCM, to provide insight into the effect of material composition on water splitting behavior and ultimately guide the synthesis of more efficient STCH materials.
The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading; thus it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. It is the goal of the immediate work to demonstrate an experimental technique allowing for strength assessment, which can be implemented into pressure dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric strength of distended α-SiO2 has been captured in a tamped Richtmyer- Meshkov instability environment at a pressure regime of 4-10 GPa. In contrast to traditional RMI studies used to infer strength in solids, the described approach herein is implemented to probe the behavior of the porous tamp media backing the corrugated solid surface. Hydrocode simulation has been used to interpret the experiment, and a resulting pressure-dependent yield surface akin to the often employed Modified Drucker-Prager model has been calibrated via the coupled experiment and simulation. The simulations indicate that the resulting jet length generated by the RMI is highly sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing pressurized granular deviatoric response. Additionally, a Mach lens loading environment has also been implemented as a validation case study, demonstrating good agreement between experiment and simulation within an alternative loading environment. Calibration and validation of the pressure-dependent yield surface gives confidence to the model form, thereby providing a framework for future porous media strength studies.
This knowledge guide was developed as a training and reference manual for Federal Radiological Monitoring and Assessment Center (FRMAC) gamma spectroscopists. The knowledge guide is geared towards applied High Purity Germanium (HPGe) gamma spectroscopy with an emphasis on examples. As such, the knowledge guide generally provides a limited but sufficient discussion of physics concepts. For more detailed information on the physics concepts discussed in this guide, please refer to the references listed.
This report documents the completion of milestone STPRO4-13 "Documented Kokkos API", which is part of the Exascale Computing Project (ECP). The goal of this Milestone was to generate documentation for the Kokkos programming model accessible to the open HPC community, beyond what was available via the tutorials. The total documentation for Kokkos now contains the equivalent of about 250 pages in text book format. About a third of it is contained in a more text book like style like the Kokkos Programming Guide, while most of the rest is an API reference modelled after popular C++ reference webpages. On the order of 175 pages was generated new as part of the work for this milestone.
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. This test resulted in one of the POCs generating sufficient internal pressure to pop off its drum lid and expose the top of the pipe container (PC) to the fire environment. The initial contents of the POCs were inert materials that would not generate large internal pressure within the PC if heated. However, POCs are now being used to store combustible Transuranic (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), SNL started conducting a new series of fire tests in 2015 to examine whether PCs with combustibles would reach a temperature that could 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 contents. In 2016, Phase II of the tests showed that POCs tested in a pool fire failed within 3 minutes of ignition with the POC lid ejecting. These POC lids were fitted with a NUCFIL-019DS filter and revealed that this specific filter did not relieve sufficient pressure to prevent lid ejection. In the Fall of 2017, Phase II-A was conducted to expose POCs to a 30-minute pool fire with similar configurations to those tested in Phase II, except that the POC lids were fitted with an UltraTech (UT) 9424S filter instead. That specific filter was chosen because of its design to help relieve internal pressure during the fire and thus prevent lid ejection. In Phase II-A, however, setups of two POCs stacked upon one another were never tested, which led to this phase of tests, Phase II-B. This report will describe the various tests conducted in Phase II-B, present results from these tests, and implications for the POCs based on the test results will be discussed.
The purpose of this document to provide an advance copy of a "Build Guide" for a Generic Runnable System (GRS) of the Geophysical Monitoring Systems' (GMS) common source code. This guide includes a list of software dependencies and licenses, hardware specifications, and related instructions for how to build the system from the source code. The document is written for individuals who are experienced as administrators of Linux systems. The intention is to support preparation activities prior to the open source release so that dependencies may be in place to build and run the system. This document will be updated and provided with the open source release on GitHub, accompanied by a "Run Guide" for the system. An additional "Configuration Guide" will also be provided after the open source release so that users may explore system configuration options.
pCalc is a software tool that computes travel-time predictions, ray path geometry and model queries. This software has a rich set of features, including the ability to use custom 3D velocity models to compute predictions using a variety of geometries. The pCalc software is especially useful for research related to seismic monitoring applications. The pCalc software is available on the web at: www.sandia.gov/salsa3d/Software.html The software is packaged with this user's manual and a set of example datasets, the use of which is described in this manual.
Entropy stable numerical methods for compressible flow have been demonstrated to exhibit better robustness than purely linearly stable methods and need less overall artificial dissipation for long simulations in subsonic and transonic flows. In this work we seek to extend these benefits to multicomponent, multitemperature flows in thermochemical nonequilibrium such as combustion and hypersonic flight. We first derive entropy functions that symmetrize the governing equations and allow stability proofs for such systems. The impact of diffusion model selection on provable entropy stability is considered in detail, including both rigorous models of irreversible thermodynamics and simplified models of greater practical interest. Based on the proven entropy functions we develop affordable, entropy conservative two-point flux functions for solution in conservation form. We derive entropy conservative fluxes for calorically and thermally perfect mixtures, with heat capacities described by either polynomials of the temperature or formulas from statistical thermodynamics.
Agencies that monitor for underground nuclear tests are interested in techniques that automatically characterize earthquake aftershock sequences to reduce the human analyst effort required to produce high-quality event bulletins. Waveform correlation is effective in detecting similar seismic waveforms from repeating earthquakes, including aftershock sequences. We report the results of an experiment that uses waveform templates recorded by multiple stations of the Comprehensive Nuclear-Test-Ban Treaty International Monitoring System during the first twelve hours after a mainshock to detect and identify aftershocks that occur during the subsequent week. We discuss approaches for station and template selection, threshold setting, and event detection that are specialized for aftershock processing for a sparse, global network. We apply the approaches to three aftershock sequences to evaluate the potential for establishing a set of standards for aftershock waveform correlation processing that can be effective for operational monitoring systems with a sparse network. We compare candidate events detected with our processing methods to the Reviewed Event Bulletin of the International Data Center to develop an intuition about potential reduction in analyst workload.
We report on the verification of elastic collisions in EMPIRE-PIC and EMPIRE-Fluid in support of the ATDM L2 V&V Milestone. The thermalization verification problem and the theory behind it is presented along with an analytic solution for the temperature of each species over time. The problem is run with both codes under multiple parameter regimes. The temperature over time is compared between the two codes and the theoretical results. A preliminary convergence analysis is performed on the results from EMPIRE-PIC and EMPIRE-Fluid showing the rate at which the codes converge to the analytic solution in time (EMPIRE-Fluid) and particles (EMPIRE-PIC).
Mimetic methods discretize divergence by restricting the Gauss theorem to mesh cells. Because point clouds lack such geometric entities, construction of a compatible meshfree divergence is a challenge. In this work, we define an abstract Meshfree Mimetic Divergence (MMD) operator on point clouds by contraction of field and virtual face moments. This MMD satisfies a discrete divergence theorem, provides a discrete local conservation principle, and is first-order accurate.
Hydrogen is increasingly being used in the public sector as a fuel for vehicles. Due to the high density of hydrogen in its liquid phase, fueling stations that receive deliveries of and store hydrogen as a liquid are more practical for high volume stations. There is a critical need for validated models to assess the risk at hydrogen fueling stations with cryogenic hydrogen on-site. In this work, a cryogenic hydrogen release experiment generated controlled releases of cryogenic hydrogen in the laboratory. We measured the maximum ignition distance, flame length and the radiative heat flux and developed correlations to calculate the ignition ditance and the radiative heat flux. We also measured the concentration and temperature fields of releases under unignited conditions and used these measurements to validate a model for these cryogenic conditions. This study provides critical information on the development of models to inform the safety codes and standards of hydrogen infrastructure.
The workshop on hydrogen rail applications was attended by representatives from over 40 organizations across academia, government, and industry. The workshop agenda is provided in Appendix A, and a list of workshop organizations is provided in Appendix B. The first day of the workshop focused on domestic and international government agency perspectives. The second day highlighted technology status and development, R&D topics, and industry perspectives on hydrogen rail activities. Topic sessions were followed by panel discussions on relative challenges and issues. This report captures the key themes discussed by the workshop participants and provides details on specific recommendations and collaborative opportunities. The report includes presentation overviews, panel discussion summaries, and a summary of major outcomes, recommendations, and envisioned pathways forward in the development and deployment of hydrogen rail technology and international collaboration.
This article presents an example by which design loads for a wave energy converter (WEC) might be estimated through the various stages of the WEC design process. Unlike previous studies, this study considers structural loads, for which, an accurate assessment is crucial to the optimization and survival of a WEC. Three levels of computational fidelity are considered. The first set of design load approximations are made using a potential flow frequency-domain boundary-element method with generalized body modes. The second set of design load approximations are made using a modified version of the linear-based time-domain code WEC-Sim. The final set of design load simulations are realized using computational fluid dynamics coupled with finite element analysis to evaluate the WEC's loads in response to both regular and focused waves. This study demonstrates an efficient framework for evaluating loads through each of the design stages. In comparison with experimental and high-fidelity simulation results, the linear-based methods can roughly approximate the design loads and the sea states at which they occur. The high-fidelity simulations for regular wave responses correspond well with experimental data and appear to provide reliable design load data. The high-fidelity simulations of focused waves, however, result in highly nonlinear interactions that are not predicted by the linear-based most-likely extreme response design load method.
This document will detail a field demonstration test procedure for the Module OT device developed for the joint NREL-SNL DOE CEDS project titled "Modular Security Apparatus for Managing Distributed Cryptography for Command & Control Messages on Operational Technology (OT) Networks." The aim of this document is to create the testing and evaluation procedure for field demonstration of the device; this includes primarily functional testing and implementation testing at Public Service Company of New Mexico's (PNM's) Prosperity solar site environment. Specifically, the Module OT devices will be integrated into the Prosperity solar site system; traffic will be encrypted between several points of interest at the site (e.g., inverter micrologger and switch). The tests described in this document will be performed to assess the impact and effectiveness of the encryption capabilities provided by the Module OT device.
We measure the frequency dependence of a niobium microstrip resonator as a function of temperature from 1.4 to 8.4 K. In a 2-micrometer-wide half-wave resonator, we find the frequency of resonance changes by a factor of 7 over this temperature range. From the resonant frequencies, we extract inductance per unit length, characteristic impedance, and propagation velocity (group velocity). We discuss how these results relate to superconducting electronics. Over the 2 K to 6 K temperature range where superconducting electronic circuits operate, inductance shows a 19% change and both impedance and propagation velocity show an 11% change.
The complex environments that characterize combustion systems can influence the distribution of gas-phase species, the relative importance of various growth mechanisms and the chemical and physical characteristics of the soot precursors generated. In order to provide molecular insights on the effect of combustion environments on the formation of gas-phase species, in this paper, we study the temporal and spatial dependence of soot precursors growth mechanisms in an ethylene/oxygen/argon counterflow diffusion flame. As computational tools of investigation, we included fluid dynamics simulations and stochastic discrete modeling. Results show the relative importance of various reaction pathways in flame, with the hydrogen-abstraction-acetylene-addition mechanism contributing to the formation of pure hydrocarbons near the stagnation plane, and oxygen chemistry prevailing near the maximum temperature region, where the concentration of atomic oxygen reaches its peak and phenols, ethers and furan-embedded species are formed. The computational results show excellent agreement with measurements obtained using aerosol mass spectrometry coupled with vacuum-ultraviolet photoionization. Knowledge acquired in this study can be used to predict the type of compounds formed in various locations of the flame and eventually provide insights on the environmental parameters that influence the growth of soot precursors. Additionally, the results reported in this paper highlight the importance of modeling counterflow flames in two or three dimensions to capture the spatial dependence of growth mechanisms of soot precursors.
Furth, Paul M.; Veerabathini, Anurag; Saifullah, Z.M.; Rivera, Derrick T.; Elkanishy, Abdelrahman; Badawy, Abdel H.A.; Michael, Christopher
Towards the goal of enhanced hardware security, this work proposes compact supervisory circuits to perform low-frequency monitoring of a communication SoC. The communication RF output is monitored through an integrated RF envelope detector. The input supply to the transceiver block of the SoC is delivered by an integrated linear voltage regulator with output current monitoring. These two supervisory circuits are inexpensively fabricated in 0.6-μm technology. The useful bandwidth of the envelope detector is measured as 1-6 GHz at a supply of 3.3 VDC and quiescent current of 2.65 mA. The linear regulator generates 3.3 VDC using an input of 5 VDC, quiescent current of 1.83 mA, and load current from 1-120 mA. Static and transient load current tests demonstrate linear output current monitoring.
Timeseries power and voltage data recorded by electricity smart meters in the US have been shown to provide immense value to utilities when coupled with advanced analytics. However, Advanced Metering Infrastructure (AMI) has diverse characteristics depending on the utility implementing the meters. Currently, there are no specific guidelines for the parameters of data collection, such as measurement interval, that are considered optimal, and this continues to be an active area of research. This paper aims to review different grid edge, delay tolerant algorithms using AMI data and to identify the minimum granularity and type of data required to apply these algorithms to improve distribution system models. The primary focus of this report is on distribution system secondary circuit topology and parameter estimation (DSPE).
We report on the fabrication and characterization of Nb/Ta-N/Nb Josephson junctions grown by room temperature magnetron sputtering on 150-mm diameter Si wafers. Junction characteristics depend upon the Ta-N barrier composition, which was varied by adjusting the N2 flow during film deposition. Higher N2 flow rates raise the barrier resistance and increase the junction critical current. This work demonstrates the viability of Ta-N as an alternative barrier to aluminum oxide, with the potential for large scale integration.
Missert, Nancy; Jenkins, Mark W.; Tangyunyong, Paiboon; Mook, William; Vernik, Igor V.; Kirichenko, Alex F.; Mukhanov, Oleg A.; Wynn, Alex; Day, Alexandra L.; Bolkhovsky, Vladimir; Johnson, Leonard M.
The ability to localize defects in order to understand failure mechanisms in complex superconducting electronics circuits, while operating at low temperature, does not yet exist. This work applies thermally-induced voltage alteration (TIVA), to a biased superconducting electronics (SCE) circuit at ambient temperature. TIVA is a commonly used, laser-based failure analysis technique developed for silicon-based microelectronics. The non-operational circuit consisted of an arithmetic logic unit (ALU) in a high-frequency test bed designed at HYPRES and fabricated by MIT Lincoln Laboratory using their SFQ5ee process. Localized TIVA signals were correlated with reflected light images at the surface, and these sites were further investigated by scanning electron microscopy imaging of focused ion-beam cross-sections. The areas investigated, where prominent TIVA signals were observed, showed seams in the Nb wiring layers at contacts to Josephson junctions or inductors and/or disrupted junction morphologies. These results suggest that the TIVA technique can be used at ambient temperature to diagnose fabrication defects that may cause low temperature circuit failure.
Laser diagnostics are essential for time-resolved studies of solid rocket propellant combustion and small explosive detonations. Digital in-line holography (DIH) is a powerful tool for three-dimensional particle tracking in multiphase flows. By combining DIH with complementary diagnostics, particle temperatures and soot/smoke properties can be identified.
Control of the atomic structure, as measured by the extent of the embrittling B2 chemically ordered phase, is demonstrated in intermetallic alloys through additive manufacturing (AM) and characterized using high fidelity neutron diffraction. As a layer-by-layer rapid solidification process, AM was employed to suppress the extent of chemically ordered B2 phases in a soft ferromagnetic Fe-Co alloy, as a model material system of interest to electromagnetic applications. The extent of atomic ordering was found to be insensitive to the spatial location within specimens and suggests that the thermal conditions within only a few AM layers were most influential in controlling the microstructure, in agreement with the predictions from a thermal model for welding. Analysis of process parameter effects on ordering found that suppression of B2 phase was the result of an increased average cooling rate during processing. AM processing parameters, namely interlayer interval time and build velocity, were used to systematically control the relative fraction of ordered B2 phase in specimens from 0.49 to 0.72. Hardness of AM specimens was more than 150% higher than conventionally processed bulk material. Implications for tailoring microstructures of intermetallic alloys are discussed.
Proceedings - 2019 IEEE Symposium on High-Performance Interconnects, HOTI 2019
Jha, Saurabh; Patke, Archit; Brandt, James M.; Gentile, Ann C.; Showerman, Mike; Roman, Eric; Kalbarczyk, Zbigniew T.; Kramer, Bill; Iyer, Ravishankar K.
Network congestion in high-speed interconnects is a major source of application runtime performance variation. Recent years have witnessed a surge of interest from both academia and industry in the development of novel approaches for congestion control at the network level and in application placement, mapping, and scheduling at the system-level. However, these studies are based on proxy applications and benchmarks that are not representative of field-congestion characteristics of high-speed interconnects. To address this gap, we present (a) an end-to-end framework for monitoring and analysis to support long-term field-congestion characterization studies, and (b) an empirical study of network congestion in petascale systems across two different interconnect technologies: (i) Cray Gemini, which uses a 3-D torus topology, and (ii) Cray Aries, which uses the DragonFly topology.
Natural gas hydrate is often found in marine sediment in heterogeneous distributions in different sediment types. Diffusion may be a dominant mechanism for methane migration and affect hydrate distribution. We use a 1-D advection-diffusion-reaction model to understand hydrate distribution in and surrounding thin coarse-grained layers to examine the sensitivity of four controlling factors in a diffusion-dominant gas hydrate system. These factors are the particulate organic carbon content at seafloor, the microbial reaction rate constant, the sediment grading pattern, and the cementation factor of the coarse-grained layer. We use available data at Walker Ridge 313 in the northern Gulf of Mexico where two ~3-m-thick hydrate-bearing coarse-grained layers were observed at different depths. The results show that the hydrate volume and the total amount of methane within thin, coarse-grained layers are most sensitive to the particulate organic carbon of fine-grained sediments when deposited at the seafloor. The thickness of fine-grained hydrate free zones surrounding the coarse-grained layers is most sensitive to the microbial reaction rate constant. Moreover, it may be possible to estimate microbial reaction rate constants at other locations by studying the thickness of the hydrate free zones using the Damköhler number. In addition, we note that sediment grading patterns have a strong influence on gas hydrate occurrence within coarse-grained layers.
Battery energy storage is being installed behind-the-meter to reduce electrical bills while improving power system efficiency and resiliency. This paper demonstrates the development and application of an advanced optimal control method for battery energy storage systems to maximize these benefits. We combine methods for accurately modeling the state-of-charge, temperature, and state-of-health of lithium-ion battery cells into a model predictive controller to optimally schedule charge/discharge, air-conditioning, and forced air convection power to shift a electric customer's consumption and hence reduce their electric bill. While linear state-of-health models produce linear relationships between battery usage and degradation, a non-linear, stress-factor model accounts for the compounding improvements in lifetime that can be achieved by reducing several stress factors at once. Applying this controller to a simulated system shows significant benefits from cooling-in-the-loop control and that relatively small sacrifices in bill reduction performance can yield large increases in battery life. This trade-off function is highly dependent on the battery's degradation mechanisms and what model is used to represent them.
Battery energy storage is being installed behind-the-meter to reduce electrical bills while improving power system efficiency and resiliency. This paper demonstrates the development and application of an advanced optimal control method for battery energy storage systems to maximize these benefits. We combine methods for accurately modeling the state-of-charge, temperature, and state-of-health of lithium-ion battery cells into a model predictive controller to optimally schedule charge/discharge, air-conditioning, and forced air convection power to shift a electric customer's consumption and hence reduce their electric bill. While linear state-of-health models produce linear relationships between battery usage and degradation, a non-linear, stress-factor model accounts for the compounding improvements in lifetime that can be achieved by reducing several stress factors at once. Applying this controller to a simulated system shows significant benefits from cooling-in-the-loop control and that relatively small sacrifices in bill reduction performance can yield large increases in battery life. This trade-off function is highly dependent on the battery's degradation mechanisms and what model is used to represent them.
