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At least 217 records · Page 12

Small-scale Assessment of Simplified Ceramic Waste Form Processing

The feasibility of directly processing glass-bonded sodalite ceramic waste form materials by heating a mixture of Zeolite 4A, chloride salt, and sodium borosilicate binder glass was demonstrated by generating laboratory-scale materials. This direct processing method eliminates pre-setting the moisture content of the Zeolite 4A, eliminates the step of occluding salt in the prepared Zeolite 4A prior to processing, and can be conducted using larger particle sizes of crushed Zeolite 4A and crushed borosilicate glass than those called for in the current method. These simplifications are expected to facilitate material transfer and handling in a hot cell or controlled atmosphere environment and be more readily implemented at large scale than the current method. Most materials made to assess these simplifications were directly processed at 925 °C for two hours in an argon atmosphere glovebox, but one material was processed at 925 °C for four hours and one material was processed at 880 °C for two hours. Sodalite was generated and became microencapsulated by the binder glass in all materials. The microstructures were uniform throughout each product, were similar in all products, and were similar to the microstructures of materials made previously using the pressureless consolidation or hot isostatic pressing methods. Various formulations showed the efficiency of sodalite generation was not sensitive to the salt-to-Zeolite 4A ratio or salt-to-glass mass ratio, although a greater relative mass of glass is required to encapsulate sodalite generated from large particles of aggregated Zeolite 4A. The upper limit of salt loadings that can be effectively processed remains to be determined. The effectiveness of direct processing provided new insights into the conversion mechanism. The salt was likely dissolved into the glass that transported NaCl into the Zeolite 4A aggregates and sodalite was generated in situ as NaCl migrated from the outside of the aggregate inward. Other salt cations (e.g., potassium, strontium, cesium, and probably lithium) remain dissolved in the glass encapsulating the zeolite/sodalite domains. When the glass solidifies during cooling, small halite inclusion phases form in glass within sodalite domains and large mixed salt inclusions form in glass surrounding the sodalite due to the low solubility of chloride in the (solid) glass. Other salt cations were oxidized during processing and formed inclusions in the bulk glass (e.g., neodymium). Initial degradation tests show the dissolution behavior of directly processed CWF (SCWF) materials is similar to CWF materials made using different methods.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Improbability of Post-Closure Criticality in Array of Transuranic Waste Containers after Compaction by Salt Creep at Waste Isolation Pilot Plant

Based on the rationale presented, post-closure nuclear criticality is improbable when room closure compacts containers disposing transuranic (TRU) waste emplaced at the Waste Isolation Pilot Plant (WIPP), an operating repository in bedded salt in southeastern New Mexico. As described in the original WIPP certification, a qualitative estimate of the probability of post-closure criticality in TRU waste produced from atomic energy defense activities has been low either because remote-handled TRU waste canisters are neutronically isolated by the bedded salt or because the low fissile mass in an array of contact-handled TRU waste drums cannot be compacted sufficiently by room closure from salt creep. These situations are still valid for the majority of TRU waste that is disposed at WIPP without any disposal constraints, as updated herein. This report also qualitatively evaluates the probability of criticality after disposal of TRU waste in pipe overpack containers (POC) where every POC in a shipment may have the maximum 200 fissile gram equivalent of 239Pu content. The probability of criticality for a disposal room filled with POCs is estimated during four representative phases of repository evolution: (1) a large salt block falls onto POCs in the first 20 years, (2) salt creep closes a disposal room in the first 1000 years without brine seepage and subsequent gas generation, which permits maximum compaction, (3) some brine seepage occurs into the closed room, which initiates consumption of the fiberboard (cellulose) impact absorber in the POC in the second 1000 years, and (4) full brine inundation of a room and consumption of all fiberboard thereafter. Salt-block fall in the first phase does not greatly disrupt three tiers of POCs. The compacted spacing of POCs in the later three repository conditions is calculated through high-fidelity, geomechanical modeling. Criticality evaluation of compacted 200-g 239 Pu spheres at the compacted spacing shows that neither 12-inch nor 6-inch POCs are critical after the first 1000 years, the second 1000 years, or thereafter as the sea of reflector material changes to represent the three repository conditions. Specifically, fiberboard and iron isolates 239 Pu while dry, and brine reduces the reactivity when a room is partially and fully inundated. Because POC behavior bounds behavior of other standard TRU waste containers, post-closure criticality caused by room closure compacting containers is omitted in the performance assessments for the 2019 and 2026 WIPP compliance re-certification applications to the US Environmental Protection Agency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

AGR-5/6/7 Fuel Fabrication Report

The U.S. Department of Energy Office of Nuclear Energy (DOE NE) and the Idaho National Laboratory (INL) Advanced Reactor Technologies (ART) Advanced Gas Reactor (AGR) Fuel Development and Qualification program (referred to as AGR Fuel program hereafter) are pursuing qualification of tristructural isotropic (TRISO) coated particle fuel for use in high temperature gas cooled reactors (HTGRs). The AGR Fuel program was established to provide a fuel qualification data set in support of the licensing and operation of an HTGR. BWX Technologies Nuclear Operations Group (BWXT-NOG) was subcontracted to fabricate the fuel for the AGR program. Several investments and innovations were realized in preparation to fabricate fuel for the AGR-5/6/7 irradiation experiments that brought fuel fabrication fully out of the laboratory and into engineering-scale operations. These included: • Increased the kernel fabrication line capacity and uniformity • Upgraded ancillary support equipment and processes for the tristructural isotropic (TRISO) coating furnace • Demonstrated efficient production of the matrix precursor powder by dry jet milling of co mingled components • Demonstrated an engineering-scale method for quick and efficient overcoating TRISO particles with the matrix precursor • Demonstrated an automated, multi cavity compacting system with a volumetric feed system • Demonstrated a combined-cycle thermal treatment furnace These changes increased production rates of some of these processes by an order of magnitude or more while eliminating the use of flammable solvents, multiple grinding and sorting operations, and the weighing out of individual die charges. Three fuel kernel lots were fabricated for production of the fuel for AGR-5/6/7. The initial lot (J52R-16-39316) was certified to fuel specifications but was not used because the kernels had a high fraction of internal fissures that caused an unacceptable fraction of the kernels to fragment when charged to the coating furnace where the TRISO coating would be deposited. Fragmented kernels increased the dispersed uranium in the particles and produced a worrisome fraction of dimpled particles with an elevated probability of in-pile failure. After some efforts to identify the cause of the fissure formation, two additional lots were produced with much lower fissure fractions, J52R-16-69317 and 69318. The latter kernel lot was a backup to the first and was not needed. Multiple kernel batches were composited to form each of the lots so as to simulate a commercial-scale operation where kernel batches would also be composited. Multiple TRISO coating runs were performed and the product characterized so that several could be composited into a TRISO lot. TRISO lot J52R-16-98005 conformed to all fuel specifications except the mean outer pyrocarbon (OPyC) layer thickness was thinner than specified. Furthermore, it was determined that the TRISO lot had a dispersed uranium fraction (DUF) that might result in the compacts not meeting the DUF specification. A review of the role of the OPyC layer and consequences of the DUF by the Technical Coordination Team and INL concluded that the fuel was acceptable for use in the AGR-5/6/7 irradiation experiment. The TRISO particles were overcoated with the matrix precursor that had been produced in a jet-milling operation. The overcoating was performed in equipment originally designed to coat pharmaceuticals. The overcoating process performed well; producing highly spherical and uniform overcoats requiring little upgrading and no recycle or rework. TRISO particles were overcoated with the matrix precursor to achieve nominal volumetric packing fractions (PFs) of TRISO particles of 25% and 40% for the irradiation experiments. The 40% PF compacts occupy the first and fifth test capsule in the test train while the inner three capsules are loaded with 25% PF compacts. The resinated graphite matrix precursor powder was a derivative of the German A3-27 matrix formulation, which differs from previous AGR irradiation campaigns that used an A3-3 formulation. Jet milling of the matrix powder precursor produced a finer mean graphite particle size than the milling operations used for the A3-3 matrix powder precursor. Changes made in the matrix formula and equipment yielded compacts with significantly higher matrix density than was attained in previous AGR irradiation campaigns. The changes in the matrix formulation and the means of milling the powders also complicated resolution of the three fuel compact defect fractions, DUF, exposed kernel fraction (EKF), and the silicon carbide defect fraction (SDF). Characterization data from BWXT-NOG had some anomalous results, so samples of the fuel compacts and overcoated TRISO particles were also analyzed by Oak Ridge National Laboratory (ORNL) to ensure that the defect fractions were accurately characterized.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Molecular dynamics simulations of radiation cascade evolution near cellular dislocation structures in additively manufactured stainless steels

The dislocation dense cellular structures observed in additively manufactured (AM) stainless steels can allow these materials to have enhanced strength and ductility compared to conventionally manufactured materials. Effective design of radiation resistant materials often necessitates creating microstructures containing of a high density of dislocations that act as sinks for radiation induced defects. This work uses molecular dynamics simulations to study the impact of pre-existing defects on radiation damage in stainless steel 316L fabricated by the laser powder bed fusion process. The evolution of synthetically generated dislocations in a crystal system in response to multiple radiation collision cascades suggest that dislocation dense regions reduce the probability of surviving point defects forming clusters. This finding seems to result from the dislocation cores’ ability to absorb point defects, thereby limiting the formation of clusters during the recombination phase. However, after successive cascades, the ability of the dislocation entanglement to prevent defect formation is diminished and defect cluster formation trends to an equilibrium. Accordingly, it is hypothesized that in an experimental setting the dislocation cells will initially act as neutral sinks for point defects, potentially delaying the onset of radiation damage effects; but, these structures will be degraded due to radiation-enhanced diffusion and lose their effectiveness at doses above 1.5–2 displacements per atom. Nevertheless, the ability to produce complex and feature-specific microstructures suggests promise for the design of radiation tolerant materials using AM methods.

36 MATERIALS SCIENCE↗

Small-scale properties from exascale computations of turbulence on a $\mathbf{32\,768^3}$ periodic cube

To study the physics of small-scale properties of homogeneous isotropic turbulence at increasingly high Reynolds numbers, direct numerical simulation results have been obtained for forced isotropic turbulence at Taylor-scale Reynolds number R λ = 2500 on a 32 768 3 three-dimensional periodic domain using a GPU pseudo-spectral code on a 1.1 exaflop GPU supercomputer (Frontier). These simulations employ the multi-resolution independent simulation (MRIS) technique (Yeung & Ravikumar 2020, Phys. Rev. Fluids, vol. 5, 110517) where ensemble averaging is performed over multiple short segments initiated from velocity fields at modest resolution, and subsequently taken to higher resolution in both space and time. Reynolds numbers are increased by reducing the viscosity with the large-scale forcing parameters unchanged. Although MRIS segments at the highest resolution for each Reynolds number last for only a few Kolmogorov time scales, small-scale physics in the dissipation range is well captured – for instance, in the probability density functions and higher moments of the dissipation rate and enstrophy density, which appear to show monotonic trends persisting well beyond the Reynolds number range in prior works in the literature. Attainment of range of length and time scales consistent with classical scaling also reinforces the potential utility of the present high-resolution data for studies of short-time-scale turbulence physics at high Reynolds numbers where full-length simulations spanning many large-eddy time scales are still not accessible. A single snapshot of the 32 768 3 data is publicly available for further analyses via the Johns Hopkins Turbulence Database.

intermittency↗

Topical Report on Water Balance Model Development and Initial Application

This topical report summarizes results from developing a generic dynamic water balance tool which can be used by coal-fired power plant operators to evaluate FGD water management strategies. EPRI is using a statistical software model created on the GoldSim platform and data from coal-fired energy plants to determine the fraction of power plant water needs that can be satisfied by electrodialysis reversal treatment and, correspondingly, the discharge volume and/or byproducts that still need to be managed. The generic model is designed to accept a number of easily obtainable process variables and generate probabilities of resultant water characteristics. The model is also constructed as a universal process flow; one that can be adjusted to accommodate most major components of an FGD blowdown handling system. The generic model is dynamic and utilizes user-inputted operational variation in water quality and quantity to best provide a probabilistic representation of potential performance outcomes. In order to account for complexities of water composition and treatment, a separate chemical modeling software is used to evaluate water chemistry and unit operation performance. The thermodynamic modeling software, OLI Studio, is employed to convert ion data from laboratory analyses into balanced molecular concentrations that are classified as dissolved and suspended solids. The dynamic water model is designed to import a total of 11 species commonly found in FGD blowdown water as molecular concentrations.Water management unit operations are used in the model and categorized by either physical unit operation blocks or chemical unit operations blocks. As the name implies, the physical water treatment blocks are unit operations that are exclusively physical changes to the system (e.g., separations and volume changes). The chemical water treatment blocks are unit operations where chemical changes occur and require the use of OLI Studio to characterize subsequent streams. Water and material balances from three unique coal-fired power plants were obtained and preliminary modeling on the dynamic water balance tool was performed using the extracted data from these power plants. These three power plants were chosen due to their unique configurations and water profiles that represented a variety of operational changes. Results from using the dynamic tool with the three plant configurations are presented and discussed in the context of the existing tool and planned future capabilities.

01 COAL, LIGNITE, AND PEAT↗

Diffusion Monte Carlo Study of the Structure and Spectroscopy of H 3 O –

A potential energy surface for H 3 O – has been developed based on the NN+(MOB-ML) approach we developed for studies of complexes of OH – with two or three water molecules. Unlike those systems, H 3 O – has two low-energy isomers, H – ·H 2 O and OH – ·H 2 , which differ in energy by less than 2.5 kcal mol –1 , and which are separated by a barrier of roughly 4.5 kcal mol –1 . We find that by training the NN+(MOB-ML) model using structures based on diffusion Monte Carlo (DMC) simulations initiated in the two potential minima, we are able to obtain a potential surface that describes both isomers. Using these potentials, the structure and spectra of H 3 O – and its deuterated analogues are investigated using DMC. These calculations show that the ground state wave function for H 3 O – is mainly localized in the H – ·H 2 O minimum in the potential, with a small amount of the probability amplitude (<5%) in the region of the OH – ·H 2 minimum. The delocalization of the wave function into the secondary minimum is lowered by deuteration of the water molecule, while replacing H – with D – increases the isomerization due to the shortening of the average distance between the hydride ion and the hydrogen atom in water to which it is bound. Introducing one quantum of excitation in the H – ···H 2 O stretching vibration increases the amount of isomerization, while the isomerization decreases with additional excitation of this mode. Excitation of the free OH stretch in the water molecule also increases the amount of isomerization, while excitation of the out-of-plane bending vibration suppresses the isomerization. Furthermore, the effects of partial deuteration on the frequencies for these vibrations are also explored.

Chemical structure↗

Exploration of a Potential Desirability of Outcome Ranking Endpoint for Complicated Intra-Abdominal Infections Using 9 Registrational Trials for Antibacterial Drugs

Abstract Background Desirability of outcome ranking (DOOR) is a novel approach to clinical trial design that incorporates safety and efficacy assessments into an ordinal ranking system to evaluate overall outcomes of clinical trial participants. Here, we derived and applied a disease-specific DOOR endpoint to registrational trials for complicated intra-abdominal infection (cIAI). Methods Initially, we applied an a priori DOOR prototype to electronic patient-level data from 9 phase 3 noninferiority trials for cIAI submitted to the US Food and Drug Administration between 2005 and 2019. We derived a cIAI-specific DOOR endpoint based on clinically meaningful events that trial participants experienced. Next, we applied the cIAI-specific DOOR endpoint to the same datasets and, for each trial, estimated the probability that a participant assigned to the study treatment would have a more desirable DOOR or component outcome than if assigned to the comparator. Results Three key findings informed the cIAI-specific DOOR endpoint: (1) a significant proportion of participants underwent additional surgical procedures related to their baseline infection; (2) infectious complications of cIAI were diverse; and (3) participants with worse outcomes experienced more infectious complications, more serious adverse events, and underwent more procedures. DOOR distributions between treatment arms were similar in all trials. DOOR probability estimates ranged from 47.4% to 50.3% and were not significantly different. Component analyses depicted risk-benefit assessments of study treatment versus comparator. Conclusions We designed and evaluated a potential DOOR endpoint for cIAI trials to further characterize overall clinical experiences of participants. Similar data-driven approaches can be utilized to create other infectious disease–specific DOOR endpoints.

Immunology↗

Effects of non-thermal termolecular reactions on wedge-induced oblique detonation waves

The shock-induced combustion ramjet (Shcramjet) based on oblique detonation waves (ODWs) is among the promising choices for hypersonic propulsion systems. An understanding of the ignition, propagation, and stability of ODWs is critical to harnessing their propulsive potential. In such high speed reacting flows, there is a high probability of occurrence of non-thermal reactions due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 as demonstrated recently [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078–1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. The present work focuses on examining the initiation, propagation and structure of oblique detonation waves in stoichiometric H 2 -air mixtures through numerical simulations with and without non-thermal reactivity on a two-dimensional adaptive grid. Non-thermal reactions were included in the macroscopic kinetic model as chemically termolecular reactions facilitated by the H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Since, the non-thermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions, an additional simulation was performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. Results show that, under ODWE relevant conditions, non-thermal reactivity fundamentally alters the induction length, intensity as well as the structure of the ODW. Specifically, it is found that non-thermal reactivity leads to a noticeable reduction in initiation length and a simultaneous increase in instantaneous peak heat release rate and the degree of unsteadiness of the ODW. Finally, statistical analysis of key thermo-chemical variables is performed to elucidate the important species as well as reactions responsible for the observed variations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Verifying the Computational Integrity of Power Grid Controls with Zero-Knowledge Proof

The control of future power grids is migrating from a centralized to a distributed/decentralized scheme to enable a massive penetration of distributed energy resources with rising dependence on communication infrastructure. A common assumption made for most existing distributed/decentralized controllers is that local controllers would faithfully follow the designated controller dynamics based on the data received from communication channels. However, with increased probability of cyberattacks on Operational Technology infrastructure, such an assumption could be risky because proper execution of the controller dynamics is then built on trust in secure communication and computation. In this work, we leverage a cryptography technology known as zero-knowledge scalable transparent arguments of knowledge (zk-STARK) to verify the computational integrity of power grid control algorithms, with projected linear dynamics-based control schemes as the initial proof-of-concept test case. The method presented here converts the cybersecurity challenge of data integrity for grid control into a subset of computational integrity.

computational integrity↗

Optimal conditions for efficient flow-electrode capacitive deionization

One of the current barriers to achieving fast and stable performance for flow-electrode capacitive deionization (FCDI) is determining optimal operating parameters. To date, however, no consensus has been reached for universal conditions for FCDI. Through experimental and modeling approaches in this study, we systematically evaluated the influence of applied potential (V = 1.2–2.4 V) and electrolyte concentration (C0 = 0.05–0.5 M) on the FCDI and electrodialysis (ED) desalination processes. Evaluation indicators include the concentration decrease in the desalinated solution, salt removal rates, pH fluctuations, charge efficiency, and energy consumption. Results demonstrated that the dynamic curves of concentration decrease at 2.0 V nearly overlapped with the response at 1.6 V at certain electrolyte concentrations, while the salt removal rates at 0.2 M salt concentration were the best among all concentrations tested at a range of applied potential. Therefore, it was thus concluded that the optimum conditions for FCDI operation are 1.6 V applied potential and 0.2 M initial salt concentration, under which faradaic reactions are not being triggered, and concentration polarization does not significantly affect ion transfer. Furthermore, a comparative study between FCDI and ED indicated that ED has a different dependence on the electrolyte concentration and applied potential, in which the desalination can be linearly enhanced with increasing potential but greatly limited at high concentrations. Due to the presence of carbon particles in FCDI, the enhanced charge/ion transfer is probably the main reason for the different desalination performance of FCDI and ED. Overall, the optimal operating parameters obtained in this work could be used as basic test conditions for further development of new carbon-based materials for FCDI.

42 ENGINEERING↗

Modeling the Effect of Surface Platinum–Tin Alloys on Propane Dehydrogenation on Platinum–Tin Catalysts

Uncertainty analysis, reported experimental literature data, and density functional theory were synthesized to model the effect of surface tin coverage on platinum-based catalysts for nonoxidative propane dehydrogenation to propylene. Here, this study tests four different platinum–tin skin surface models as potential catalytic sites, Pt 3 Sn/Pt(100), PtSn/Pt(100), Pt 3 Sn/Pt(111), and Pt 2 Sn/Pt(211), and compares them to the corresponding pure Pt surface sites using an uncertainty analysis methodology that uses BEEF-vdW with its ensembles (BMwE) to generate the uncertainty for the energies of the intermediates and transition states. One experimental data set with two experimental observations, selectivity to propylene and turnover frequency of propylene, was used as a calibration data set to evaluate the impact of the experimental data on informing the models. This study finds that the prior model for Pt 3 Sn/Pt(100) is the most active and Pt 2 Sn/Pt(211) is the most selective toward propylene. Active sites on the (100) facet have the highest probability of being responsible for C 1 and C 2 product formations (C–C bond cleavage). Increasing the Sn coverage on the (100) surface facet to a PtSn/Pt(100) active site leads to a significantly reduced rate and might explain the experimentally observed higher selectivity of Sn-doped catalysts relative to pure Pt catalysts. Next, this study finds that for all surfaces, except PtSn/Pt(100), the rate-controlling steps are the initial dehydrogenation steps alongside some partially rate-controlling second dehydrogenation steps. For PtSn/Pt(100), only the initial terminal dehydrogenation step to CH 3 CH 2 CH 2 * and second dehydrogenation steps are rate-controlling. Next, the calibrated models for all surfaces were found to be selective toward propylene production and model the reported turnover frequency successfully. Nevertheless, Pt 2 Sn/Pt(211) emerges as the active site with some (minor) evidence as the main active site based on Jeffreys’ scale interpretation of Bayes factors. This observation agrees with prior studies that also found step sites to be most likely the most relevant active sites for pure Pt catalysts. Overall, the results indicate that tin, in addition to affecting the binding strength of the adsorbed species, prevents deeper dehydrogenation (reducing coking) and cracking reactions through increasing activation barriers for unwanted side reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reaching 90% Photoluminescence Quantum Yield in One-Dimensional Metal Halide C 4 N 2 H 14 PbBr 4 by Pressure-Suppressed Nonradiative Loss

Low-dimensional perovskite-related metal halides have emerged as a new class of light-emitting materials with tunable broadband emission from self-trapped excitons (STEs). Although various types of low-dimensional structures have been developed, fundamental understating of the structure–property relationships for this class of materials is still very limited, and further improvement of their optical properties remains greatly important. Here, we report a significant pressure-induced photoluminescence (PL) enhancement in a one-dimensional hybrid metal halide C 4 N 2 H 14 PbBr 4 , and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations. Under a gigapascal pressure scale, the PL quantum yields (PLQYs) were quantitatively determined to show a dramatic increase from the initial value of 20% at ambient conditions to over 90% at 2.8 GPa. With in situ characterization of photophysical properties and theoretical analysis, we found that the PLQY enhancement was mainly attributed to the greatly suppressed nonradiative decay. Pressure can effectively tune the energy level of self-trapped states and increase the exciton binding energy, which leads to a larger Stokes shift. The resulting highly localized excitons with stronger binding reduce the probability for carrier scattering, to result in the significantly suppressed nonradiative decay. Overall, our findings clearly show that the characteristics of STEs in low-dimensional metal halides can be well-tuned by external pressure, and enhanced optical properties can be achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Statistical characterization of a shock interacting with an inclined gas column

We present a statistical characterization of the interaction between a planar shock and a finite-diameter, cylindrical column of dense gas based on three-dimensional, large-eddy simulation results. In the simulation, the column of gas is initially inclined at an angle $\alpha _0$ with respect to the shock plane. Effects of the initial column angle on the mixing characteristics are examined at Mach number 2.0 for column incline angles $1^\circ$ , $5^\circ$ , $10^\circ$ and $30^\circ$ . Mean velocity profiles show that the column angle affects the gas velocity components in the vertical plane, but not in the spanwise direction. The gas undergoes higher initial upward acceleration at larger initial column incline angles. With time, the gas motion tends to become one-dimensional in the streamwise direction. Initially, velocity fluctuations are most intense within the interior of the column, but concentrate near the column leading edge over time. At high wavenumbers $\kappa$ , the turbulent kinetic energy spectra follow a power-law scaling of $\kappa ^{-1}$ . The structure functions of the mass fraction do not clearly demonstrate power-law scaling except at early times for $\alpha _0=30^\circ$ , manifesting overall trends very similar to those observed in earlier experiments. Probability distributions of the mass fraction show independence of the mean and the standard deviation of the mixed gas on $\alpha _0$ . The column angle was also found to have little effect on the mixing efficiency characterized by the molecular mixedness. Velocity components in the streamwise and transverse directions tend towards a bimodal distribution for larger $\alpha _{0}$ .

42 ENGINEERING↗

Sparse Bayesian mass mapping with uncertainties: hypothesis testing of structure

ABSTRACT A crucial aspect of mass mapping, via weak lensing, is quantification of the uncertainty introduced during the reconstruction process. Properly accounting for these errors has been largely ignored to date. We present a new method to reconstruct maximum a posteriori (MAP) convergence maps by formulating an unconstrained Bayesian inference problem with Laplace-type l1-norm sparsity-promoting priors, which we solve via convex optimization. Approaching mass mapping in this manner allows us to exploit recent developments in probability concentration theory to infer theoretically conservative uncertainties for our MAP reconstructions, without relying on assumptions of Gaussianity. For the first time, these methods allow us to perform hypothesis testing of structure, from which it is possible to distinguish between physical objects and artefacts of the reconstruction. Here, we present this new formalism, and demonstrate the method on simulations, before applying the developed formalism to two observational data sets of the Abell 520 cluster. Initial reconstructions of the Abell 520 catalogues reported the detection of an anomalous ‘dark core’ – an overdense region with no optical counterpart – which was taken to be evidence for self-interacting dark matter. In our Bayesian framework, it is found that neither Abell 520 data set can conclusively determine the physicality of such dark cores at $99{{\ \rm per\ cent}}$ confidence. However, in both cases the recovered MAP estimators are consistent with both sets of data.

Price, M. A.↗

​​Hydrogen Transportation and Distributed Energy Systems Seismic Risk Assessment for Cascadia Subduction Zone Airport Facilities​

Portland International Airport in Oregon is exploring operating a fleet of 28 fuel cell electric buses to support airport operations and possibly provide backup power during outages. In this report, we evaluate the risk of hydrogen deployment at an airport considering the potential for seismic activity. We present a seismic risk assessment for pressurized piping for a generic hydrogen refueling station at the airport. Only pressurized piping was considered in the risk analysis because of its vulnerability and availability of fragility information unlike the other components. Seismic capacity of other components should be included as more information becomes available. To characterize the seismic hazard, we considered the initiating event frequency of a Cascadia Subduction Zone earthquake event based on data from the literature. Seismic stressors that translate to the site from an earthquake event are expressed as peak ground acceleration. Site disturbance is characterized as a function of soil conditions, represented by different shear wave velocity values, which affect how seismic waves propagate and impact structures. Pipe fragility curves as a function of seismic capacity were used to correlate ground acceleration and failure probability. These fragility characteristics were combined with site-specific soil conditions to calculate the probability of pipe rupture during a seismic event. It should be noted that multiple simultaneous failures due to an earthquake event as a common cause are not considered. Some epistemic uncertainties such as self-exciting shocks, aftershocks, and the time variant nature of the ground motion are not considered either.

08 HYDROGEN↗

Pro‐ L * ‐ A Probabilistic L * Mapping Tool for Ground Observations

Abstract Both ground and space observations are used extensively in the modeling of space weather processes within the Earth’s magnetosphere. In radiation belt physics modeling, one of the key phase‐space coordinates is L *, which indicates the location of the drift paths of energetic electrons. Global magnetic field models allow a subset of locations on the ground (mainly subauroral) to be mapped along field lines to a location in space and transformed into L *, provided that the initial ground location maps to a closed drift path. This allows observations from ground, or low‐altitude space‐based platforms to be mapped into space in order to inform radiation belt modeling. Many data‐based magnetic field models exist; however, these models can significantly disagree on mapped L * values for a single point on the ground, during both quiet times and storms. We present a state of the art probabilistic L * mapping tool, Pro‐ L *, which produces probability distributions for L * corresponding to a given ground location. Pro‐ L * has been calculated for a high resolution magnetic latitude by magnetic local time grid in the Earth’s Northern Hemisphere. We have developed the probabilistic model using 11 years of L * calculations for seven widely used magnetic field models. Usage of the tool is highlighted for both event studies and statistical models, and we demonstrate a number of potential applications.

79 ASTRONOMY AND ASTROPHYSICS↗

NO PLIF flow visualization and time-resolved temperature distributions in laser induced breakdown plumes

NO planar laser induced fluorescence (PLIF) is used to obtain images of laser-induced breakdown plasma plumes in NO-seeded nitrogen and dry air at near atmospheric pressure. Single-shot PLIF-images show that the plume development 5–50 μs after the breakdown pulse is fairly reproducible shot-to-shot, although the plume becomes increasingly stochastic on longer timescales, 100–500 μs. The stochastic behavior of the plume is quantified using probability distributions of the loci of the plume boundary. Analysis of the single-shot images indicates that the mixing of the plume with ambient gas on sub-ms time scale is insignificant. The induced flow velocity in the plume is fairly low, up to 30 m s –1 , suggesting that laser breakdowns are ineffective for mixing enhancement in high speed flows. The ensemble-averaged PLIF images indicate the evolution of the plume from an initially elongated shape to near-spherical to toroidal shape, with a subsequent radial expansion and formation of an axial jet in the center. Temperature distributions in the plume in air are obtained from the NO PLIF images, using two rotational transitions in the NO(X, v' = 0 → A, v'' = 0) band, J'' = 6.5 and 12.5 of the Q R 12 + Q 2 branch. The results indicate that the temperature in the plume remains high, above 1000 K, for approximately 100 μs, after which it decays gradually, to below 500 K at 500 μs. The residual NO fraction in the plume is ~0.1%, indicating that repetitive laser-assisted ignition may result in significant NO-generation. Furthermore, these measured temperature and velocity distributions can be used for detailed validation of kinetic models of laser-induced breakdown and assessment of their predictive capability.

42 ENGINEERING↗