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Evolution of titanium particle combustion in potassium perchlorate and air

Combustion and Flame

Marsh, Andrew W.; Zheng, Andy X.; Wang, Gwendolyn T.; Hobbs, Michael L.; Kearney, S.P.; Mazumdar, Yi C.

Understanding titanium particle combustion processes is critical not only for characterizing existing pyrotechnic systems but also for creating new igniter designs. In order to characterize titanium particle combustion processes, morphologies, and temperatures, simultaneous spatially-resolved electric field holography and imaging pyrometry techniques were used to capture post-ignition data at up to 7 kHz. Due to the phase and thermal distortions present in the combustion cloud, traditional digital in-line holography techniques fail to capture accurate data. In this work, electric field holography techniques are used in order to cancel distortions and capture the three-dimensional spatial locations and diameters of the particles. In order to estimate the projected surface temperatures of the titanium particles, an imaging pyrometry method that ratios emission at 750 and 850 nm is utilized. Using these diagnostics, joint statistics are collected for particle size, morphology, velocity, and temperature. Results show that, early in the combustion process, the titanium particles are primarily oxidized by potassium perchlorate inside the igniter cup, resulting in projected surface temperatures near 3000 K. Later in the process, the particles interact with ambient air, resulting in lower surface temperatures around 2400 K and the formation of flame zones. These results are consistent with adiabatic flame temperature predictions as well as particle morphology observations of a titanium core with a TiO2 surface. Late stage particle expansion, star fragmentation, and molten droplet breakup events are also observed using the time-resolved morphology and temperature diagnostics. These results illustrate the different stages of titanium particle combustion in pyrotechnic environments, which can be used to inform improvements in next-generation igniters.

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Verification and benchmarking relativistic electron beam transport through a background gas

Computer Physics Communications

Medina, Brandon M.; Grua, Pierre; Cartwright, Keith C.; Hebert, David; Szalek, Nicolas; Caizergues, Clement; Owens, Israel O.; Rhoades, Elaine L.; Gardelle, Jacques; Moore, Christopher H.

It is necessary to establish confidence in high-consequence codes containing an extensive suite of physics algorithms in the regimes of interest. Verification problems allow code developers to assess numerical accuracy and increase confidence that specific sets of model physics were implemented correctly in the code. The two main verification techniques are code verification and solution verification. In this work, we present verification problems that can be used in other codes to increase confidence in simulations of relativistic beam transport. Specifically, we use the general plasma code EMPIRE to model and compare with the analytical solution to the evolution of the outer radial envelope of a relativistic charged particle beam. We also outline a benchmark test of a relativistic beam propagating through a vacuum and pressurized gas cell, and present the results between EMPIRE and the hybrid code GAZEL. Further, we discuss the subtle errors that were caught with these problems and detail lessons learned.

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Influence of NaCl concentration on the optical scattering properties of water-based aerosols

Applied Optics

Pattyn, Christian A.; Wright, Jeremy B.; Laros, James H.; Redman, Brian J.; Vander Laan, John D.; Glen, Andrew G.; Sanchez, A.L.; Westlake, Karl W.; Patel, Lekha P.; Bentz, Brian Z.

We present the characterization of several atmospheric aerosol analogs in a tabletop chamber and an analysis of how the concentration of NaCl present in these aerosols influences their bulk optical properties. Atmospheric aerosols (e.g., fog and haze) degrade optical signal via light–aerosol interactions causing scattering and absorption, which can be described by Mie theory. This attenuation is a function of the size distribution and number concentration of droplets in the light path. These properties are influenced by ambient conditions and the droplet’s composition, as described by Köhler theory. It is therefore possible to tune the wavelength-dependent bulk optical properties of an aerosol by controlling droplet composition. We present experimentation wherein we generated multiple microphysically and optically distinct atmospheric aerosol analogs using salt water solutions with varying concentrations of NaCl. The results demonstrate that changing the NaCl concentration has a clear and predictable impact on the microphysical and optical properties of the aerosol

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Isolating the Source Region of Infrasound Travel Time Variability Using Acoustic Sensors on High-Altitude Balloons

Remote Sensing

Silber, Elizabeth A.; Bowman, Daniel B.

High-altitude balloons carrying infrasound sensor payloads can be leveraged toward monitoring efforts to provide some advantages over other sensing modalities. On 10 July 2020, three sets of controlled surface explosions generated infrasound waves detected by a high-altitude floating sensor. One of the signal arrivals, detected when the balloon was in the acoustic shadow zone, could not be predicted via propagation modeling using a model atmosphere. Considering that the balloon’s horizontal motion showed direct evidence of gravity waves, we examined their role in infrasound propagation. Implementation of gravity wave perturbations to the wind field explained the signal detection and aided in correctly predicting infrasound travel times. Our results show that the impact of gravity waves is negligible below 20 km altitude; however, their effect is important above that height. The results presented here demonstrate the utility of balloon-borne acoustic sensing toward constraining the source region of variability, as well as the relevance of complexities surrounding infrasound wave propagation at short ranges for elevated sensing platforms.

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A flexible polymer-based luminescent ink for combined thermographic phosphors and digital image correlation (TP+DIC)

Optical Materials

Hansen, Linda E.; Fitzgerald, Kaitlynn; Jones, Elizabeth M.; Ruggles, Timothy R.; Gilliland, W.G.; Jauregui, Luis J.; Murray, Shannon E.; Westphal, Eric R.; Winters, Caroline W.; Huertas, N.A.

Recent work on the development of integrated thermographic phosphors and digital image correlation (TP+DIC) for combined thermal–mechanical measurements has revealed the need for a flexible, stretchable phosphor coating for metal surfaces. Herein, we coat stainless steel substrates with a polymer-based phosphor ink in a DIC speckle pattern and demonstrate that the ink remains well bonded under substrate deformation. In contrast, a binderless phosphor DIC coating produced via aerosol deposition (AD) partially debonded from the substrate. DIC calculations reveal that the strain on the ink coating matches the strain on the substrate within 4% error at the highest substrate loads (0.05 mm/mm applied substrate strain), while the strain on the AD coating remains near 0 mm/mm as the substrate deforms. Spectrally resolved emission from the phosphor is measured through the transparent binder throughout testing, and the ratio method is used to infer temperature with an uncertainty of 1.7 °C. This phosphor ink coating will allow for accurate, non-contact strain and temperature measurements of a deforming surface.

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Abisko: Deep codesign of an architecture for spiking neural networks using novel neuromorphic materials

International Journal of High Performance Computing Applications

Vetter, Jeffrey S.; Date, Prasanna; Fahim, Farah; Kulkarni, Shruti R.; Liu, Frank; Maksymovych, Petro; Talin, A.A.; Tallada, Marc G.; Vanna-Iampikul, Pruek; Young, Aaron R.; Brooks, David; Cao, Yu; Gu-Yeon, Wei; Lim, Sung K.; Marinella, Matthew; Sumpter, Bobby; Miniskar, Narasinga R.

The Abisko project aims to develop an energy-efficient spiking neural network (SNN) computing architecture and software system capable of autonomous learning and operation. The SNN architecture explores novel neuromorphic devices that are based on resistive-switching materials, such as memristors and electrochemical RAM. Equally important, Abisko uses a deep codesign approach to pursue this goal by engaging experts from across the entire range of disciplines: materials, devices and circuits, architectures and integration, software, and algorithms. The key objectives of our Abisko project are threefold. First, we are designing an energy-optimized high-performance neuromorphic accelerator based on SNNs. This architecture is being designed as a chiplet that can be deployed in contemporary computer architectures and we are investigating novel neuromorphic materials to improve its design. Second, we are concurrently developing a productive software stack for the neuromorphic accelerator that will also be portable to other architectures, such as field-programmable gate arrays and GPUs. Third, we are creating a new deep codesign methodology and framework for developing clear interfaces, requirements, and metrics between each level of abstraction to enable the system design to be explored and implemented interchangeably with execution, measurement, a model, or simulation. As a motivating application for this codesign effort, we target the use of SNNs for an analog event detector for a high-energy physics sensor.

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Development of a field-deployable qPCR assay for real-time pest monitoring in algal cultivation systems

Algal Research

Laros, James H.

Outdoor cultivation is commonly used to produce algal biomass for a variety of bioproducts including food, feed, fuel, pharmaceuticals, and nutraceuticals. Outdoor cultivation ponds are highly susceptible to pest pressures that may lead to periods of low productivity or even entire loss of the algal crop. Therefore, there is a need for rapid, real-time tracking of pests for early intervention to mitigate crop loss. Herein, we describe the development of a field deployable, low-cost qPCR assay for detecting both known and novel pests of a farmed eukaryotic alga species, Nannochloropsis sp. We performed a proximity guided metagenome deconvolution approach (ProxiMeta™) to discover novel pests that temporally correspond to periods of reduced pond productivity. This approach provided high-quality metagenome assemblies that were used to design qPCR probes to detect specific pests of interest. The portable qPCR assay, designed to be deployed at remote field locations, enables low-cost surveillance with a rapid (2 h) turn-around time. Frequent sampling allows for early detection and prompts intervention strategies to remedy infected ponds to minimize crop loss. The qPCR assay was used to successfully detect a known predatory bacterium within the order Bdellovibrionales both in the lab and at a remote field location. Furthermore, we assembled the genome of two novel, site-specific pests in the Saprospiraceae family and successfully designed qPCR probes that differentially detected their presence in two different pond locations. Ultimately, this assay has the potential to monitor multiple pests simultaneously and tailor targets to match likely pest infections that differ across geographical locations, helping to mitigate crop loss on a large scale.

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Real-time latent heat emission during dynamic-compression freezing of water

Communications Physics

Nissen, Erin J.; Laros, James H.; La Lone, Brandon M.; Mance, Jason G.; Larson, Eric

Dynamic compression studies have been used to study the nucleation kinetics of water to ice VII for decades. Diagnostics such as photon Doppler velocimetry, transmission loss, and imaging have been used to measure pressure/density, and phase fraction, while temperature has remained the difficult thermodynamic property to quantify. In this work, we measured pressure/density and implemented a diagnostic to measure the temperature. In doing so the temperature shows quasi-isentropically compressed liquid water forms ice at pressures below the previously defined metastable limit, and the liquid phase is not hypercoooled as previously thought above that limit. Instead, the latent heat raises the temperature to the liquid-ice-VII melt line, where it remains with increasing pressure. We propose a hypothesis to corroborate these results with previous work on dynamic compression freezing. These results provide constraints for nucleation models, and suggest this technique be used to investigate phase transitions in other materials.

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Advanced reactors spent fuel and waste streams disposition strategies

Matteo, Edward N.; Price, Laura L.; Pulido, Ramon P.; Weck, Philippe F.; TACONI, ANNA M.; Mariner, Paul M.; Hadgu, Teklu H.; Park, Heeho D.; Greathouse, Jeffery A.; Sassani, David C.; Alsaed, Halim

This report describes research and development (R&D) activities conducted during Fiscal Year 2023 (FY23) in the Advanced Fuels and Advanced Reactor Waste Streams Strategies work package in the Spent Fuel Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). This report is focused on evaluating and cataloguing Advanced Reactor Spent Nuclear Fuel (AR SNF) and Advanced Reactor Waste Streams (ARWS) and creating Back-end Nuclear Fuel Cycle (BENFC) strategies for their disposition. The R&D team for this report is comprised of researchers from Sandia National Laboratories and Enviro Nuclear Services, LLC.

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An Assessment of the Laminar Hypersonic Double-Cone Experiments in the LENS-XX Tunnel

AIAA Journal

Blonigan, Patrick J.; Phipps, Eric T.; Maupin, Kathryn A.

This is an investigation on two experimental datasets of laminar hypersonic flows, over a double-cone geometry, acquired in Calspan—University at Buffalo Research Center’s Large Energy National Shock (LENS)-XX expansion tunnel. These datasets have yet to be modeled accurately. A previous paper suggested that this could partly be due to mis-specified inlet conditions. The authors of this paper solved a Bayesian inverse problem to infer the inlet conditions of the LENS-XX test section and found that in one case they lay outside the uncertainty bounds specified in the experimental dataset. However, the inference was performed using approximate surrogate models. Here in this paper, the experimental datasets are revisited and inversions for the tunnel test-section inlet conditions are performed with a Navier–Stokes simulator. The inversion is deterministic and can provide uncertainty bounds on the inlet conditions under a Gaussian assumption. It was found that deterministic inversion yields inlet conditions that do not agree with what was stated in the experiments. An a posteriori method is also presented to check the validity of the Gaussian assumption for the posterior distribution. This paper contributes to ongoing work on the assessment of datasets from challenging experiments conducted in extreme environments, where the experimental apparatus is pushed to the margins of its design and performance envelopes.

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Assessing parallel path cooling tower performance via artificial neural networks

Annals of Nuclear Energy

Katinas, Christopher M.; D'Entremont, Brian; Ray, William; Willis, Michael J.; Reichardt, Thomas A.

Real-time monitoring of a research nuclear reactor, a system in which all generated power is dissipated to the environment, can be performed via analysis of the heat rejection from the cooling system. Given an inlet water temperature and flow rate, the reactor power can be well-approximated from the outlet water temperature; however, the instrumentation to measure outlet conditions may not be robust or accurate. If we know how a cooling tower performs from historical data, but cannot measure the outlet temperature, a mathematical representation of the system can be inverted to obtain the outlet water temperature that describes the cooling capacity. Unfortunately, model inversion processes are computationally expensive. To address this, an artificial neural network (ANN) is implemented to assess the performance of a multi-cell cooling tower for a nuclear reactor. This approach leverages the Merkel model to obtain an extensive data set describing performance of the cooling tower cells throughout a wide array of potential operating conditions. The Merkel model is expressed as a function of four parameters: the inlet and outlet water temperatures, inlet air wet bulb temperature, and ratio of liquid-to-gas mass flow rates (L/G), which together provide a non-dimensional number indicative of cooling tower performance, called the Merkel integral. Computing a 4-dimensional data structure that describes finite combinations of the Merkel integral, an inverse model is then generated using an ANN to determine the cell outlet water temperature from the other three model parameters along with the computed Merkel integral. Compared to traditional model inversion methods, the ANN reduces the computational time by approximately 4 orders of magnitude, with effectively no sacrifice to solution accuracy, and could be applied for different cooling towers in the event the performance curve is known. Finally, three use cases of the ANN are then reviewed: (1) determining the cell outlet water temperatures when gas flow at rated conditions (GFRC) is known, (2) performing the prior case without knowledge of the GRFC, and (3) assessing performance differences between the individual tower cells.

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Seeding the Electrothermal Instability through a Three-Dimensional, Nonlinear Perturbation

Physical Review Letters

Awe, Thomas J.; Cochrane, Kyle C.; Peterson, Kyle J.; Yates, Kevin C.; Hutchinson, T.M.; Hatch, Maren W.; Bauer, B.S.; Tomlinson, K.; Sinars, Daniel S.

Electrothermal instability plays an important role in applications of current-driven metal, creating striations (which seed the magneto-Rayleigh-Taylor instability) and filaments (which provide a more rapid path to plasma formation). However, the initial formation of both structures is not well understood. Simulations show for the first time how a commonly occurring isolated defect transforms into the larger striation and filament, through a feedback loop connecting current and electrical conductivity. Simulations have been experimentally validated using defect-driven self-emission patterns.

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Three-dimensional feedback processes in current-driven metal

Physical Review. E

Awe, Thomas J.; Cochrane, Kyle C.; Peterson, Kyle J.; Yates, Kevin C.; Hatch, Maren W.; Tomlinson, Kurt T.; Sinars, Daniel S.; Hutchinson, Trevor M.; Bauer, Bruno S.

Using three-dimensional (3D) magnetohydrodynamic simulations, we study how a pit on a metal surface evolves when driven by intense electrical current density j. Redistribution of j around the pit initiates a feedback loop: j both reacts to and alters the electrical conductivity σ, through Joule heating and hydrodynamic expansion, so that j and σ are constantly in flux. Thus, the pit transforms into larger striation and filament structures predicted by the electrothermal instability theory. Both structures are important in applications of current-driven metal: Here, the striation constitutes a density perturbation that can seed the magneto-Rayleigh-Taylor instability, while the filament provides a more rapid path to plasma formation, through 3D j redistribution. Simulations predict distinctive self-emission patterns, thus allowing for experimental observation and comparison.

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Split-well resonant-phonon terahertz quantum cascade laser

Optics Express

Levy, Shiran; Lander Gower, Nathalie; Piperno, Silvia; Addamane, Sadhvikas J.; Reno, John L.; Albo, Asaf

We present a highly diagonal “split-well resonant-phonon” (SWRP) active region design for GaAs/Al0.3Ga0.7As terahertz quantum cascade lasers (THz-QCLs). Negative differential resistance is observed at room temperature, which indicates the suppression of thermally activated leakage channels. The overlap between the doped region and the active level states is reduced relative to that of the split-well direct-phonon (SWDP) design. The energy gap between the lower laser level (LLL) and the injector is kept at 36 meV, enabling a fast depopulation of the LLL. Within this work, we investigated the temperature performance and potential of this structure.

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Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

Physical Review. B

McCoy, C.A.; Kalita, Patricia K.; Knudson, Marcus D.; Desjarlais, Michael P.; Duwal, Sakun D.; Root, Seth R.

Sapphire (Al2O3) is a major constituent of the Earth's mantle and has significant contributions to the field of high-pressure physics. Constraining its Hugoniot over a wide pressure range and identifying the location of shock-driven phase transitions allows for development of a multiphase equation of state and enables its use as an impedance-matching standard in shock physics experiments. In this paper we present measurements of the principal Hugoniot and sound velocity from direct impact experiments using magnetically launched flyers on the Z machine at Sandia National Laboratories. The Hugoniot was constrained for pressures from 0.2–2.1 TPa and a four-segment piecewise linear shock-velocity–particle-velocity fit was determined. First-principles molecular dynamics simulations were conducted and agree well with the experimental Hugoniot. Sound-speed measurements identified the onset of melt between 450 and 530 GPa, and the Hugoniot fit refined the onset to 525 ± 13 GPa. A phase diagram which incorporates literature diamond-anvil cell data and melting measurements is presented.

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Low hydrogen solubility in clay interlayers limits gas loss in hydrogen geological storage

Sustainable Energy and Fuels

Ho, Tuan A.; Jove Colon, Carlos F.; Wang, Yifeng

Gas intercalation into clay interlayers may result in hydrogen loss in the geological storage of hydrogen; a phenomenon that has not been fully understood and quantified. Here we use metadynamics molecular simulations to calculate the free energy landscape of H2 intercalation into montmorillonite interlayers and the H2 solubility in the confined water; in comparison with results obtained for CO2. The results indicate that H2 intercalation into hydrated interlayers is thermodynamically unfavorable while CO2 intercalation can be favorable. H2 solubility in hydrated clay interlayers is in the same order of magnitude as that in bulk water and therefore no over-solubility effect due to nanoconfinement is observed - in striking contrast with CO2. These results indicate that H2 loss and leakage through hydrated interlayers due to intercalation in a subsurface storage system, if any, is limited.

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ALEGRA: Finite element modeling for shock hydrodynamics and multiphysics

International Journal of Impact Engineering

Niederhaus, John H.; Bova, S.W.; Carleton, James B.; Carpenter, John H.; Cochrane, Kyle C.; Crockatt, Michael M.; Dong, Wen D.; Fuller, Timothy J.; Granzow, Brian N.; Ibanez-Granados, Daniel A.; Kennon, Stephen; Luchini, Christopher B.; Moral, Ramon; O'Brien, Christopher J.; Powell, Michael P.; Robinson, Allen C.; Rodriguez, Angel E.; Sanchez, Jason J.; Scott, Walter A.; Siefert, Christopher S.; Stagg, Alan K.; Kalashnikova, Irina; Voth, Thomas E.; Wilkes, John

ALEGRA is a multiphysics finite-element shock hydrodynamics code, under development at Sandia National Laboratories since 1990. Fully coupled multiphysics capabilities include transient magnetics, magnetohydrodynamics, electromechanics, and radiation transport. Importantly, ALEGRA is used to study hypervelocity impact, pulsed power devices, and radiation effects. The breadth of physics represented in ALEGRA is outlined here, along with simulated results for a selected hypervelocity impact experiment.

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Impact of Disorder and Defects on Bond Energies in Highly Fluorinated Graphene

Journal of Physical Chemistry C

Alam, Todd M.; Nieto, Kelly; Walder, Brennan W.

Fluorinated graphite materials are of interest for an assortment of applications and can be synthesized under a variety of synthetic conditions from many different types of carbon. Due to such variations, structural disorders in the form of defects and polymorphism are often present. Here, we investigate the impact of local structural variations on the C-F bond dissociation energies (BDEs) in carbon-based fluoride materials using density functional theory (DFT) computational methods. Employing fluorographene (FG) cluster models, we determine the impact of different C-F bonding configurations in the core of each platelet on the equilibrium BDEs for each C-F bond. The introduction of structural disorder decreases the first C-F BDE by approximately 1 eV compared to the canonical arrangement of axial C-F bonds ordered as in a network of cyclohexane “chairs”. Variability of calculated BDEs among the different polymorphs decreases upon subsequent F removal. Common structural tendencies of the adiabatic defluorination pathways for each polymorph are identified. Our analysis suggests that at F/C ratios near 1.0, disorder in the local structure can play a significant role in the energetics of the initial carbon fluoride defluorination and that the influence of this configurational disorder diminishes with decreasing F/C ratios.

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Advanced data analysis in inertial confinement fusion and high energy density physics

Review of Scientific Instruments

Laros, James H.; Knapp, Patrick F.

Bayesian analysis enables flexible and rigorous definition of statistical model assumptions with well-characterized propagation of uncertainties and resulting inferences for single-shot, repeated, or even cross-platform data. This approach has a strong history of application to a variety of problems in physical sciences ranging from inference of particle mass from multi-source high-energy particle data to analysis of black-hole characteristics from gravitational wave observations. The recent adoption of Bayesian statistics for analysis and design of high-energy density physics (HEDP) and inertial confinement fusion (ICF) experiments has provided invaluable gains in expert understanding and experiment performance. In this Review, we discuss the basic theory and practical application of the Bayesian statistics framework. We highlight a variety of studies from the HEDP and ICF literature, demonstrating the power of this technique. Due to the computational complexity of multi-physics models needed to analyze HEDP and ICF experiments, Bayesian inference is often not computationally tractable. Two sections are devoted to a review of statistical approximations, efficient inference algorithms, and data-driven methods, such as deep-learning and dimensionality reduction, which play a significant role in enabling use of the Bayesian framework. We provide additional discussion of various applications of Bayesian and machine learning methods that appear to be sparse in the HEDP and ICF literature constituting possible next steps for the community. We conclude by highlighting community needs, the resolution of which will improve trust in data-driven methods that have proven critical for accelerating the design and discovery cycle in many application areas.

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Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries

Journal of the American Chemical Society

Spotte-Smith, Evan W.C.; Blau, Samuel M.; Barter, Daniel; Leon, Noel J.; Hahn, Nathan H.; Redkar, Nikita S.; Zavadil, Kevin R.; Liao, Chen; Persson, Kristin A.

Out-of-equilibrium electrochemical reaction mechanisms are notoriously difficult to characterize. However, such reactions are critical for a range of technological applications. For instance, in metal-ion batteries, spontaneous electrolyte degradation controls electrode passivation and battery cycle life. Here, to improve our ability to elucidate electrochemical reactivity, we for the first time combine computational chemical reaction network (CRN) analysis based on density functional theory (DFT) and differential electrochemical mass spectroscopy (DEMS) to study gas evolution from a model Mg-ion battery electrolyte-magnesium bistriflimide (Mg(TFSI)2) dissolved in diglyme (G2). Automated CRN analysis allows for the facile interpretation of DEMS data, revealing H2O, C2H4, and CH3OH as major products of G2 decomposition. These findings are further explained by identifying elementary mechanisms using DFT. While TFSI-is reactive at Mg electrodes, we find that it does not meaningfully contribute to gas evolution. The combined theoretical-experimental approach developed here provides a means to effectively predict electrolyte decomposition products and pathways when initially unknown.

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Peridynamic Model for Single-Layer Graphene Obtained from Coarse-Grained Bond Forces

Journal of Peridynamics and Nonlocal Modeling

D'Elia, Marta D.; Silling, Stewart A.; You, Huaiqian; Yu, Yue; Fermen-Coker, Muge

An ordinary state-based peridynamic material model is proposed for single-sheet graphene. The model is calibrated using coarse-grained molecular dynamics simulations. The coarse-graining method allows the dependence of bond force on bond length to be determined, including the horizon. The peridynamic model allows the horizon to be rescaled, providing a multiscale capability and allowing for substantial reductions in computational cost compared with molecular dynamics. The calibrated peridynamic model is compared to experimental data on the deflection and perforation of a graphene sheet by an atomic force microscope probe.

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Modeling the acoustic noise from a wave energy converter farm and its impact on marine mammals at the PacWave South site, offshore Newport Oregon

Renewable Energy

Harding, Jennifer L.; Preston, Leiph A.; Johnson, Erick; Roberts, Jesse D.; Jones, Craig A.; Raghukumar, Kaus; Hafla, Erin

Marine hydrokinetic devices, such as wave energy converters (WECs), can unlock untapped energy from the ocean's currents and waves. Acoustic impact assessments are required to ensure that the noise these devices generate will not negatively impact marine life, and accurate modeling of noise provides an a priori means to viably perform this assessment. We present a case study of the PacWave South site, a WEC testing site off the coast of Newport, Oregon, demonstrating the use of ParAcousti, an open-source hydroacoustic propagator tool, to model noise from an array of 28 WECs in a 3-dimensional (3-D) realistic marine environment. Sound pressure levels are computed from the modeled 3-D grid of pressure over time, which we use to predict marine mammal acoustic impact metrics (AIMs). We combine two AIMs, signal to noise ratio and sensation level, into a new metric, the effective signal level (ESL), which is a function of propagated sound, background noise levels, and hearing thresholds for marine species and is evaluated across 1/3 octave frequency intervals. The ESL model can be used to predict and quantify the potential impact of an anthropogenic signal on the health and behavior of a marine mammal species throughout the 3-D simulation area.

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How plane are plane shock waves in solids

AIP Advances

Horie, Y.; Kittell, David E.; Damm, David L.; Sakano, Michael N.; Tappan, Alexander S.; Knepper, Robert

The notion of plane shock waves is a macroscopic, very fruitful idealization of near discontinuous disturbance propagating at supersonic speed. Such a picture is comparable to the picture of shorelines seen from a very high altitude. When viewed at the grain scale where the structure of solids is inherently heterogeneous and stochastic, features of shock waves are non-laminar and field variables, such as particle velocity and pressure, fluctuate. This paper reviews select aspects of such fluctuating nonequilibrium features of plane shock waves in solids with focus on grain scale phenomena and raises the need for a paradigm change to achieve a deeper understanding of plane shock waves in solids.

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Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2-2.1 TPa

Physical Review B

McCoy, C.A.; Laros, James H.; Knudson, Marcus D.; Desjarlais, Michael P.; Duwal, Sakun D.; Root, Seth R.

Sapphire (Al2O3) is a major constituent of the Earth's mantle and has significant contributions to the field of high-pressure physics. Constraining its Hugoniot over a wide pressure range and identifying the location of shock-driven phase transitions allows for development of a multiphase equation of state and enables its use as an impedance-matching standard in shock physics experiments. Here, we present measurements of the principal Hugoniot and sound velocity from direct impact experiments using magnetically launched flyers on the Z machine at Sandia National Laboratories. The Hugoniot was constrained for pressures from 0.2-2.1 TPa and a four-segment piecewise linear shock-velocity-particle-velocity fit was determined. First-principles molecular dynamics simulations were conducted and agree well with the experimental Hugoniot. Sound-speed measurements identified the onset of melt between 450 and 530 GPa, and the Hugoniot fit refined the onset to 525±13 GPa. A phase diagram which incorporates literature diamond-anvil cell data and melting measurements is presented.

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Validation study of sodium pool fire modeling efforts in MELCOR and SPHINCS codes

Nuclear Engineering and Design

Laros, James H.; Aoyagi, Mitsuhiro; Uchibori, Akihiro; Takata, Takashi; Luxat, David L.

Discharge of sodium coolant into containment from a sodium-cooled fast reactor vessel can occur in the event of a pipe leak or break. In this situation, some of the liquid sodium droplets discharged from the coolant system will react with oxygen in the air before reaching the containment. This phase of the event is normally termed the sodium spray fire phase. Unreacted sodium droplets pool on the containment floor where continued reaction with containment atmospheric oxygen occurs. This phase of the event is normally termed the sodium pool fire phase. Both phases of these sodium-oxygen reactions (or fires) are important to model because of the heat addition and aerosol generation that occur. Any fission products trapped in the sodium coolant may also be released during this progression of events, which if released from containment could pose a health risk to workers and the public. The paper describes progress of an international collaborative research in the area of the sodium fire modeling in the sodium-cooled fast reactors between the United States and Japan under the framework of the Civil Nuclear Energy Research and Development Working Group. In this collaboration between Sandia National Laboratories and Japan Atomic Energy Agency, the validation basis for and modeling capabilities of sodium spray and pool fires in MELCOR of Sandia National Laboratories and SPHINCS of Japan Atomic Energy Agency are being enhanced. This study documents MELCOR and SPHINCS sodium pool fire model validation exercises against the JAEA's sodium pool fire experiments, F7-1 and F7-2. The proposed enhancement of the sodium pool fire models in MELCOR through addition of thermal hydraulic and sodium spreading models that enable a better representation of experimental results is also described.

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Considerations for the temperature stratification in a pre-burn constant-volume combustion chamber

Experimental Thermal and Fluid Science

Maes, Noud; Tagliante-Saracino, Fabien R.; Sim, Hyung S.; Meijer, Maarten; Manin, Julien L.; Pickett, Lyle M.

In recent years, the Engine Combustion Network (ECN) has developed as a worldwide reference for understanding and describing engine combustion processes, successfully bringing together experimental and numerical efforts. Since experiments and numerical simulations both target the same boundary conditions, an accurate characterization of the stratified environment that is inevitably present in experimental facilities is required. The difference between the core-, and pressure-derived bulk-temperature of pre-burn combustion vessels has been addressed in various previous publications. Additionally, thermocouple measurements have provided initial data on the boundary layer close to the injector nozzle, showing a transition to reduced ambient temperatures. The conditions at the start of fuel injection influence physicochemical properties of a fuel spray, including near nozzle mixing, heat release computations, and combustion parameters. To address the temperature stratification in more detail, thermocouple measurements at larger distances from the spray axis have been conducted. Both the temperature field prior to the pre-combustion event that preconditions the high-temperature, high-pressure ambient, as well as the stratification at the moment of fuel injection were studied. To reveal the cold boundary layer near the injector with a better spatial resolution, Rayleigh scattering experiments and thermocouple measurements at various distances close to the nozzle have been carried out. The impact of the boundary layers and temperature stratification are illustrated and quantified using numerical simulations at Spray A conditions. Next to a reference simulation with a uniform temperature field, six different stratified temperature distributions have been generated. These distributions were based on the mean experimental temperature superimposed by a randomized variance, again derived from the experiments. The results showed that an asymmetric flame structure arises in the computed results when the temperature stratification input is used. In these predictions, first-stage ignition is advanced by 24μs, while second-stage ignition is delayed by 11μs. At the same time a lift-off length difference between the top and the bottom of up to 1.1 mm is observed. Furthermore, the lift-off length is less stable over time. Given the shown dependency, the temperature data is made available along with the vessel geometry data as a recommended basis for future numerical simulations.

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Network Uncertainty Quantification for Analysis of Multi-Component Systems

ASCE-ASME Journal of Risk and Uncertainty in Engineering Systems, Part B: Mechanical Engineering

Tencer, John T.; Rojas, Edward; Schroeder, Benjamin B.

In order to impact physical mechanical system design decisions and realize the full promise of high-fidelity computational tools, simulation results must be integrated at the earliest stages of the design process. This is particularly challenging when dealing with uncertainty and optimizing for system-level performance metrics, as full-system models (often notoriously expensive and time-consuming to develop) are generally required to propagate uncertainties to system-level quantities of interest. Methods for propagating parameter and boundary condition uncertainty in networks of interconnected components hold promise for enabling design under uncertainty in real-world applications. These methods avoid the need for time consuming mesh generation of full-system geometries when changes are made to components or subassemblies. Additionally, they explicitly tie full-system model predictions to component/subassembly validation data which is valuable for qualification. These methods work by leveraging the fact that many engineered systems are inherently modular, being comprised of a hierarchy of components and subassemblies that are individually modified or replaced to define new system designs. By doing so, these methods enable rapid model development and the incorporation of uncertainty quantification earlier in the design process. The resulting formulation of the uncertainty propagation problem is iterative. We express the system model as a network of interconnected component models, which exchange solution information at component boundaries. We present a pair of approaches for propagating uncertainty in this type of decomposed system and provide implementations in the form of an open-source software library. We demonstrate these tools on a variety of applications and demonstrate the impact of problem-specific details on the performance and accuracy of the resulting UQ analysis. This work represents the most comprehensive investigation of these network uncertainty propagation methods to date.

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Parallel Matrix Multiplication Using Voltage-Controlled Magnetic Anisotropy Domain Wall Logic

IEEE Journal on Exploratory Solid-State Computational Devices and Circuits

Zogbi, Nicholas; Liu, Samuel; Bennett, Christopher H.; Agarwal, Sapan A.; Marinella, Matthew J.; Incorvia, Jean A.C.; Xiao, Tianyao X.

The domain wall-magnetic tunnel junction (DW-MTJ) is a versatile device that can simultaneously store data and perform computations. These three-terminal devices are promising for digital logic due to their nonvolatility, low-energy operation, and radiation hardness. Here, we augment the DW-MTJ logic gate with voltage-controlled magnetic anisotropy (VCMA) to improve the reliability of logical concatenation in the presence of realistic process variations. VCMA creates potential wells that allow for reliable and repeatable localization of domain walls (DWs). The DW-MTJ logic gate supports different fanouts, allowing for multiple inputs and outputs for a single device without affecting the area. We simulate a systolic array of DW-MTJ multiply-accumulate (MAC) units with 4-bit and 8-bit precision, which uses the nonvolatility of DW-MTJ logic gates to enable fine-grained pipelining and high parallelism. The DW-MTJ systolic array provides comparable throughput and efficiency to state-of-the-art CMOS systolic arrays while being radiation-hard. These results improve the feasibility of using DW-based processors, especially for extreme-environment applications such as space.

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Results 1001–1200 of 96,771
Results 1001–1200 of 96,771