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At least 1,333 records · Page 74

Phase Transition in Dusty Plasmas: A Microphysical Description

Dust grains immersed in plasma discharges acquire a large negative charge and settle into a dust cloud at the edge of the sheath. In this region, the plasma ions stream toward the electrode at a velocity u approx. cs=(T(sub e)/m(sub i))(exp 1/2). Experimentally at sufficiently high gas pressure P, the random kinetic energy of the grains is damped by gas friction, and the grains are strongly coupled and self-organize into a crystalline configuration. For lower pressures despite the dissipation of grain kinetic energy to gas friction, the dust grains reach a steady-state kinetic temperature T(sub d) which is much larger than the temperature of any other component in the plasma. T(sub d) is so large that the dust acts like a fluid. We have used the dynamically shielded dust (DSD) model to simulate these physical processes. We find that the known experimental features are nicely reproduced in the simulations, and that additional features are revealed. In the figure we plot the variation of T(sub d) as P is continuously varied in a DSD code run. A marked difference is evident between the critical pressure P(sub m) for the melting transition as P is decreased, and the critical pressure P(sub c) for the condensation transition as P is increased. For P(sub m) is less than P is less than P(sub c), mixed phase states are seen. This hysteresis occurs because the instability which triggers melting is different from the instability that heats the dust in the fluid phase and inhibits freezing. At low pressure, the dust is subject to a two-stream instability with the ions. This instability is responsible for the high temperature of the dust at low pressure. The basic physics underlying the melting transition has been elucidated in a series of papers. We are developing a first-principles analytic approach to the melting transition, which embodies the same physics that is present in the DSD code.

Joyce, Glenn↗

The Two-Column Aerosol Project: Phase I - Overview and Impact of Elevated Aerosol Layers on Aerosol Optical Depth

The Two-Column Aerosol Project (TCAP), conducted from June 2012 through June 2013, was a unique study designed to provide a comprehensive data set that can be used to investigate a number of important climate science questions, including those related to aerosol mixing state and aerosol radiative forcing. The study was designed to sample the atmosphere be tween and within two atmospheric columns; one fixed near the coast of North America (over Cape Cod, MA) and a second moveable column over the Atlantic Ocean several hundred kilometers from the coast. The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) was deployed at the base of the Cape Cod column, and the ARM Aerial Facility was utilized for the summer and winter intensive observation periods. One important finding from TCAP is that four of six nearly cloud-free flight days had aerosol layers aloft in both the Cape Cod and maritime columns that were detected using the nadir pointing second-generation NASA high-spectral resolution lidar (HSRL-2).These layer s contributed up to 60 of the total observed aerosol optical depth (AOD). Many of these layers were also intercepted by the aircraft configured for in situ sampling, and the aerosol in the layers was found to have increased amounts of biomass burning material and nitrate compared to aerosol found near the surface. In addition, while there was a great deal of spatial and day-to-day variability in the aerosol chemical composition and optical properties, no systematic differences between the two columns were observed.

aerosols↗

Decay spectroscopy of 160 Eu: Quasiparticle configurations of excited states and structure of K π = 4 + bandheads in 160 Gd

Background: Detailed spectroscopy of neutron-rich, heavy, deformed nuclei is of broad interest for nuclear astrophysics and nuclear structure. Nuclei in the r-process path and following freeze-out region impact the resulting r-process abundance distribution, and the structure of nuclei midshell in both proton and neutron number helps to understand the evolution of subshell gaps and large deformation in these nuclei. Purpose: We aim to improve the understanding of the nuclear structure of 160 Gd, specifically the K π = 4 + bands, as well as study the β decay of 160 Eu into 160 Gd. Methods: High-statistics decay spectroscopy of 160 Gd resulting from the β-decay of 160 Eu was collected using the GRIFFIN spectrometer at the TRIUMF-ISAC facility. Results: Two new excited states and ten new transitions were observed in 160 Gd. The β-decaying half-lives of the low- and high-spin isomers in 160 Eu were determined, and the low-spin state's half-life was measured to be t 1/2 = 26.0 (8) s, ≈ 16% shorter than previous measurements. Lifetimes of the two K π = 4 + bandheads in 160 Gd were measured for the first time, as well as γ – γ angular correlations and mixing ratios of intense transitions out of those bandheads. Conclusions: Lifetimes and mixing ratios suggest that the hexadecapole phonon model of the K π = 4 + bandheads in 160 Gd is preferred over a simple two-state strong mixing scenario, although further theoretical calculations are needed to fully understand these states. Additionally, the 1999.0-keV state in 160 Gd heavily populated in β decay is shown to have positive parity, which raises questions regarding the structure of the high-spin β-decaying state in 160 Eu.

150 ≤ A ≤ 189↗

Distributed Turboelectric Propulsion for Hybrid Wing Body Aircraft

Meeting future goals for aircraft and air traffic system performance will require new airframes with more highly integrated propulsion. Previous studies have evaluated hybrid wing body (HWB) configurations with various numbers of engines and with increasing degrees of propulsion-airframe integration. A recently published configuration with 12 small engines partially embedded in a HWB aircraft, reviewed herein, serves as the airframe baseline for the new concept aircraft that is the subject of this paper. To achieve high cruise efficiency, a high lift-to-drag ratio HWB was adopted as the baseline airframe along with boundary layer ingestion inlets and distributed thrust nozzles to fill in the wakes generated by the vehicle. The distributed powered-lift propulsion concept for the baseline vehicle used a simple, high-lift-capable internally blown flap or jet flap system with a number of small high bypass ratio turbofan engines in the airframe. In that concept, the engine flow path from the inlet to the nozzle is direct and does not involve complicated internal ducts through the airframe to redistribute the engine flow. In addition, partially embedded engines, distributed along the upper surface of the HWB airframe, provide noise reduction through airframe shielding and promote jet flow mixing with the ambient airflow. To improve performance and to reduce noise and environmental impact even further, a drastic change in the propulsion system is proposed in this paper. The new concept adopts the previous baseline cruise-efficient short take-off and landing (CESTOL) airframe but employs a number of superconducting motors to drive the distributed fans rather than using many small conventional engines. The power to drive these electric fans is generated by two remotely located gas-turbine-driven superconducting generators. This arrangement allows many small partially embedded fans while retaining the superior efficiency of large core engines, which are physically separated but connected through electric power lines to the fans. This paper presents a brief description of the earlier CESTOL vehicle concept and the newly proposed electrically driven fan concept vehicle, using the previous CESTOL vehicle as a baseline.

Kim, Hyun Dae↗

Bimetallics in a Nutshell: Complexes Supported by Chelating Naphthyridine-Based Ligands

Bimetallic motifs are a structural feature common to some of the most effective and synthetically useful catalysts known, including in the active sites of many metalloenzymes and on the surfaces of industrially relevant heterogeneous materials. However, the complexity of these systems often hampers detailed studies of their fundamental properties. To glean valuable mechanistic insight into how these catalysts function, this research group has prepared a family of dinucleating 1,8-naphthyridine ligands that bind two first-row transition metals in close proximity, originally designed to help mimic the proposed active site of metal oxide surfaces. Of the various bimetallic combinations examined, dicopper(I) is particularly versatile, as neutral bridging ligands adopt a variety of different binding modes depending on the configuration of frontier orbitals available to interact with the Cu centers. Organodicopper complexes are readily accessible, either through the traditional route of salt metathesis or via the activation of tetraarylborate anions through aryl group abstraction by a dicopper(I) unit. The resulting bridging aryl complexes engage in C-H bond activations, notably with terminal alkynes to afford bridging alkynyl species. In this work, the μ-hydrocarbyl complexes are surprisingly tolerant of water and elevated temperatures. This stability was leveraged to isolate a species that typically represents a fleeting intermediate in Cu-catalyzed azide-alkyne coupling (CuAAC); reaction of a bridging alkynyl complex with an organic azide afforded the first example of a well-defined, symmetrically bridged dicopper triazolide. This complex was shown to be an intermediate during CuAAC, providing support for a proposed bimetallic mechanism. These platforms are not limited to formally low oxidation states; chemical oxidation of the hydrocarbyl complexes cleanly results in formation of mixed valence Cu I Cu II complexes with varying degrees of distortion in both the bridging moiety and the dicopper core. Higher oxidation states, e.g. , dicopper(II), are easily accessed via oxidation of a dicopper(I) compound with air to give a Cu II 2 (μ-OH) 2 complex. Reduction of this compound with silanes resulted in the unexpected formation of pentametallic copper(I) dihydride clusters or trimetallic monohydride complexes, depending on the nature of the silane. Finally, development of an unsymmetrical naphthyridine ligand with mixed donor side-arms enables selective synthesis of an isostructural series of six heterobimetallic complexes, demonstrating the power of ligand design in the preparation of heterometallic assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling and Analysis for Spent Nuclear Fuel Seismic Testing

Note: This is the final public release version of PNNL-31671 Draft, which was previously released to the sponsor for review. The intent is the public release version will be PNNL-31671. There are no significant changes from the earlier draft version. This unlimited distribution report is the deliverable for M3SF-21PN010202014: Modeling and Analysis for Spent Nuclear Fuel Seismic Testing. This report summarizes the modeling, analysis, and test plan support completed by Pacific Northwest National Laboratory for the spent nuclear fuel dry storage system seismic test plan through May of 2021. Test plan preparation is planned to continue until the seismic test is completed in July of 2022. This report covers preliminary structural dynamic model development and computer-aided design of test hardware. Based on preliminary modeling, the strongest earthquakes under consideration in this test program provide mechanical loading on the spent nuclear fuel that is comparable to the 30 cm cask drop scenario, although the loads do not appear to be strong enough to cause significant permanent deformation of the fuel assembly spacer grids. The potential for grid deformation during the test will be assessed when the proposed shake table motion becomes available. The weakest earthquakes considered in this test are expected to be comparable to the mechanical loads witnessed in the multimodal transportation test of 2017. The horizontal canister system is predicted to provide nearly-uniform loading condition on the fuel assemblies it contains, while the vertical cask system is predicted to cause non-uniform dynamic loads on the fuel assemblies. In the horizontal case, gravity keeps the fuel assemblies in contact with one basket wall surface unless the loads are strong enough to cause a separation. In the vertical case, the fuel assemblies are relatively long and slender, and seismic motion in the anticipated test range is predicted to cause the assemblies to lean, tilt, and impact the basket walls throughout the seismic event. These gap closures are a nonlinear force transmission condition, so the vertical system is expected to have more variation and variability than the horizontal system. While the horizontal system is expected to have a relatively more linear response than the vertical system, there is still the potential for nonlinear behavior in the horizontal system because the fuel assemblies are free to slide, bounce, and impact the basket walls if the seismic loads are strong enough. One major conclusion of this study is that the use of mixed fuel assemblies in the canister will be acceptable. There are differences in overall system response when the mass, center of gravity, or gaps are changed, but the changes in response are within the bounds of a system that contains completely homogeneous fuel assemblies. One important observation is that the loading for each individual fuel assembly within the vertical canister is expected to be different from that of the others because of nonlinearities in the system. The horizontal canister system is expected to have a more uniform and more predictable response than the vertical canister, making variations in fuel assembly characteristics easier to account for. One important recommendation that comes from this modeling work is to repeat some of the strongest shake tests at different angles, particularly for the vertical cask system. Modeling predicts that strong seismic motion will cause the fuel assemblies to close initial gaps and impact the fuel basket walls when the canister is in the vertical cask configuration. Each shake test will impose a pre-defined three-dimensional time history on the cask system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Posteriori Study of a DNS Database Describing Super critical Binary-Species Mixing

Currently, the modeling of supercritical-pressure flows through Large Eddy Simulation (LES) uses models derived for atmospheric-pressure flows. Those atmospheric-pressure flows do not exhibit the particularities of high densitygradient magnitude features observed both in experiments and simulations of supercritical-pressure flows in the case of two species mixing. To assess whether the current LES modeling is appropriate and if found not appropriate to propose higher-fidelity models, a LES a posteriori study has been conducted for a mixing layer that initially contains different species in the lower and upper streams, and where the initial pressure is larger than the critical pressure of either species. An initially-imposed vorticity perturbation promotes roll-up and a double pairing of four initial span-wise vortices into an ultimate vortex that reaches a transitional state. The LES equations consist of the differential conservation equations coupled with a real-gas equation of state, and the equation set uses transport properties depending on the thermodynamic variables. Unlike all LES models to date, the differential equations contain, additional to the subgrid scale (SGS) fluxes, a new SGS term that is a pressure correction in the momentum equation. This additional term results from filtering of Direct Numerical Simulation (DNS) equations, and represents the gradient of the difference between the filtered pressure and the pressure computed from the filtered flow field. A previous a priori analysis, using a DNS database for the same configuration, found this term to be of leading order in the momentum equation, a fact traced to the existence of high-densitygradient magnitude regions that populated the entire flow; in the study, models were proposed for the SGS fluxes as well as this new term. In the present study, the previously proposed constantcoefficient SGS-flux models of the a priori investigation are tested a posteriori in LES, devoid of or including, the SGS pressure correction term. The present pressure-correction model is different from, and more accurate as well as less computationally intensive than that of the a priori study. The constant-coefficient SGS-flux models encompass the Smagorinsky (SMC), in conjunction with the Yoshizawa (YO) model for the trace, the Gradient (GRC) and the Scale Similarity (SSC) models, all exercised with the a priori study constant coefficients calibrated at the transitional state. The LES comparison is performed with the filtered- and-coarsened (FC) DNS, which represents an ideal LES solution. Expectably, an LES model devoid of SGS terms is shown to be considerably inferior to models containing SGS effects. Among models containing SGS effects, those including the pressure-correction term are substantially superior to those devoid of it. The sensitivity of the predictions to the initial conditions and grid size are also investigated. Thus, it has been discovered that, additional to the atmospheric-pressure models currently used, a new model is necessary to simulate supercritical-pressure flows. This model depends on the thermodynamic characteristics of the chemical species involved.

Bellan, Josette↗

Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance

Semiclassical electrodynamics (with quantum matter plus classical electrodynamics fields) is an appealing approach for studying light-matter interactions, especially for realistic molecular systems. However, there is no unique semiclassical scheme. On the one hand, intermolecular interactions can be described instantaneously by static two-body interactions connecting two different molecules, while a classical transverse E field acts as a spectator at short distance; we will call this Hamiltonian no. I. On the other hand, intermolecular interactions can also be described as effects that are mediated exclusively through a classical one-body Ε field without any quantum effects at all (assuming we ignore electronic exchange); we will call this Hamiltonian no. II. Moreover, one can also mix these two different Hamiltonians into a third, hybrid Hamiltonian, which preserves quantum electron-electron correlations for lower excitations but describes higher excitations in a mean-field way. To investigate which semiclassical scheme is most reliable for practical use, here we study the real-time dynamics of a minimalistic many-site model—a pair of identical two-level systems (TLSs)—undergoing either resonance energy transfer (RET) or collectively driven dynamics. While both approaches (no. 1 and no. 2) perform reasonably well when there is no strong external excitation, we find that no single approach is perfect for all conditions (and all methods fail when a strong external field is applied). Each method has its own distinct problems: Hamiltonian no. I performs best for RET but behaves in a complicated manner for driven dynamics; Hamiltonian no. II is always stable, but obviously fails for RET at short distances. One key finding is that, for externally driven dynamics, a full configuration-interaction description of Hamiltonian no. I strongly overestimates the long-time electronic energy, highlighting the not obvious fact that, if one plans to merge quantum molecules with classical light, a full, exact treatment of electron-electron correlations can actually lead to worse results than a simple mean-field electronic structure treatment. Future work will need to investigate (i) how these algorithms behave in the context of more than a pair of TLSs and (ii) whether or not these algorithms can be improved in general by including crucial aspects of spontaneous emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reducing Propulsion Airframe Aeroacoustic Interactions With Uniquely Tailored Chevrons: 3. Jet-Flap Interaction

Propulsion airframe aeroacoustic (PAA) interactions, resulting from the integration of engine and airframe, lead to azimuthal asymmetries in the flow/acoustic field, e.g., due to the interaction between the exhaust jet flow and the pylon, the wing and its high-lift devices, such as, flaps and flaperons. In the first two parts of this series we have presented experimental results which show that isolated and installed nozzles with azimuthally varying chevrons (AVCs) can reduce noise more than conventional chevrons when integrated with a pylon and a wing with flaps at take-off conditions. In this paper, we present model-scale experimental results for the reduction of jet-flap interaction noise source due to these AVCs and document the PAA installation effects (difference in noise between installed and isolated nozzle configurations) at both approach and take-off conditions. It is found that the installation effects of both types of chevron nozzles, AVCs and conventional, are reversed at approach and take-off, in that there is more installed noise reduction at approach and less at take-off compared to that of the isolated nozzles. Moreover, certain AVCs give larger total installed noise benefits at both conditions compared to conventional chevrons. Phased microphone array results show that at approach conditions (large flap deflection, low jet speed and low ambient Mach number), chevrons gain more noise benefit from reducing jetflap interaction noise than they do from quieting the jet plume noise source which is already weak at these low jet speeds. In contrast, at take-off (small flap deflection, high jet speed and high ambient Mach number) chevrons reduce the dominant jet plume noise better than the reduction they create in jet-flap interaction noise source. In addition, fan AVCs with enhanced mixing near the pylon are found to reduce jet-flap interaction noise better than conventional chevrons at take-off.

Thomas, Russ H.↗

From CMS to the U.S. Greenhouse Gas Center – Improved Tracking of Recent Changes in Co 2 and Ch 4 From NASA’s Quasi-Operational Modeling Systems

Reliable, low latency delivery of high quality global flux and concentration information is a growing but still unmet need to advance expanding measurement, monitoring, reporting, and verification efforts that underpin federal climate mitigation strategies. Here we present on progress toward developing space-based greenhouse gas (GHG) monitoring systems that can provide comprehensive information trailing real time by a matter of weeks to a few months. Through support from its Carbon Monitoring System (CMS) program, NASA has developed the capability to assimilate XCO 2 retrievals from the Orbiting Carbon Observatory, 2 (OCO 2 ) into the Goddard Earth Observing System (GEOS) Constituent Data Assimilation System (CoDAS) to create gap-filled, three-dimensional (3D) estimates of CO 2 mixing ratio. When observations are unavailable, concentration fields are further informed by observationally-informed bottom-up flux packages that incorporate remotely sensed fire, nighttime lights, and vegetation observations combined with estimates of atmospheric growth rate based on surface in situ data. The 3D nature of these datasets supports evaluation with independent aircraft data to improve confidence in satellite data, development of new regional modeling approaches, and quantification of the climate impacts of GHGs. The system has recently been expanded to assimilate XCH 4 from ESA’s TROPOspheric Monitoring Instrument (TROPOMI) instrument and is supported by companion efforts to improve delivery of estimates of bottom-up land and ocean fluxes. The quasi-operational GEOS-GHG system is contributing to the recently announced U.S. Greenhouse Gas Center (GHG Center) by delivering information on recent changes in CO 2 and CH 4 emissions and concentrations to support stakeholder and research communities. In this presentation, we provide an overview of the current system configured to support the GHG Center. We highlight examples of how this data contributes to broader NASA initiatives including the Earth Information Center, an innovative virtual and physical exhibit designed to show how NASA data helps the nation combat climate change. We conclude by discussing how innovations in CMS research can address remaining data gaps and modeling challenges to advance operational GHG monitoring in the future.

Lesley Ott↗

Acoustics and Trust of Separate-Flow Exhaust Nozzles With Mixing Devices for High-Bypass-Ratio Engines

The NASA Glenn Research Center recently completed an experimental study to reduce the jet noise from modern turbofan engines. The study concentrated on exhaust nozzle designs for high-bypass-ratio engines. These designs modified the core and fan nozzles individually and simultaneously. Several designs provided an ideal jet noise reduction of over 2.5 EPNdB for the effective perceived noise level (EPNL) metric. Noise data, after correcting for takeoff thrust losses, indicated over a 2.0-EPNdB reduction for nine designs. Individually modifying the fan nozzle did not provide attractive EPNL reductions. Designs in which only the core nozzle was modified provided greater EPNL reductions. Designs in which core and fan nozzles were modified simultaneously provided the greatest EPNL reduction. The best nozzle design had a 2.7-EPNdB reduction (corrected for takeoff thrust loss) with a 0.06-point cruise thrust loss. This design simultaneously employed chevrons on the core and fan nozzles. In comparison with chevrons, tabs appeared to be an inefficient method for reducing jet noise. Data trends indicate that the sum of the thrust losses from individually modifying core and fan nozzles did not generally equal the thrust loss from modifying them simultaneously. Flow blockage from tabs did not scale directly with cruise thrust loss and the interaction between fan flow and the core nozzle seemed to strongly affect noise and cruise performance. Finally, the nozzle configuration candidates for full-scale engine demonstrations are identified.

Naseem H Saiyed↗

Incorporation of market signals for the optimal design of post combustion carbon capture systems

Recent studies have shown that fossil generators equipped with post-combustion carbon capture (PCC) systems are needed to reduce the cost of deep decarbonization. Such generators need to be flexible and responsive to grid conditions, particularly in a high variable renewable energy (VRE) environment. In this work, we evaluate the net present value (NPV) of retrofitting an existing natural gas combined cycle (NGCC) unit with a flexible PCC system while incorporating market signals from a high VRE grid. We use our industrial partner’s NGCC configuration as representative of existing NGCC units and Svante’s rapid-temperature swing adsorption (TSA) for PCC. Because of its ability to rapidly startup/shutdown and ramp-up/ramp-down, the chosen capture technology is very attractive for load-following operations. For a given set of market signals, we formulate a two-stage stochastic multi-period optimization problem, under the price-taker assumption, to simultaneously optimize the design of the capture system and operation of the entire plant. Rigorous models for the NGCC unit, PCC system, and compression system are developed using commercial process simulators and validated with either plant or vendor data. For computational tractability, we develop surrogate/reduced-order models for use in the optimization problem. The surrogate model for the NGCC plant is constructed by linearizing the rigorous dynamic model at 75% load, while data-driven nonlinear surrogate models for the capture and compression systems are constructed using simulation data from the rigorous models. The optimization problem, formulated as a mixed integer bilinear program, is implemented in the IDAES® integrated platform and solved to global optimality using Gurobi 9.5. Using this formulation, we determine the profitability of retrofitting an existing NGCC unit with the chosen capture system for multiple regions in the U.S. under two scenarios with different carbon prices. Importantly, the results show that the optimal decision strongly depends on the region and on the carbon price, thereby demonstrating the importance of the inclusion of market signals in the design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Evolution of Open Magnetic Flux Driven by Photospheric Dynamics

The coronal magnetic field is of paramount importance in solar and heliospheric physics. Two profoundly different views of the coronal magnetic field have emerged. In quasi-steady models, the predominant source of open magnetic field is in coronal holes. In contrast, in the interchange model, the open magnetic flux is conserved, and the coronal magnetic field can only respond to the photospheric evolution via interchange reconnection. In this view the open magnetic flux diffuses through the closed, streamer belt fields, and substantial open flux is present in the streamer belt during solar minimum. However, Antiochos and co-workers, in the form of a conjecture, argued that truly isolated open flux cannot exist in a configuration with one heliospheric current sheet (HCS) - it will connect via narrow corridors to the polar coronal hole of the same polarity. This contradicts the requirements of the interchange model. We have performed an MHD simulation of the solar corona up to 20R solar to test both the interchange model and the Antiochos conjecture. We use a synoptic map for Carrington Rotation 1913 as the boundary condition for the model, with two small bipoles introduced into the region where a positive polarity extended coronal hole forms. We introduce flows at the photospheric boundary surface to see if open flux associated with the bipoles can be moved into the closed-field region. Interchange reconnection does occur in response to these motions. However, we find that the open magnetic flux cannot be simply injected into closed-field regions - the flux eventually closes down and disconnected flux is created. Flux either opens or closes, as required, to maintain topologically distinct open and closed field regions, with no indiscriminate mixing of the two. The early evolution conforms to the Antiochos conjecture in that a narrow corridor of open flux connects the portion of the coronal hole that is nearly detached by one of the bipoles. In the later evolution, a detached coronal hole forms, in apparent violation of the Antiochos conjecture. Further investigation reveals that this detached coronal hole is actually linked to the extended coronal hole by a separatrix footprint on the photosphere of zero width. Therefore, the essential idea of the conjecture is preserved, if we modify it to state that coronal holes in the same polarity region are always linked, either by finite width corridors or separatrix footprints. The implications of these results for interchange reconnection and the sources of the slow solar wind are briefly discussed.

Linker, Jon A.↗

Embedded training of neural-network subgrid-scale turbulence models

We report that the weights of a deep neural-network model are optimized in conjunction with the governing flow equations to provide a model for subgrid-scale stresses in a temporally developing plane turbulent jet at Reynolds number Re 0 = 6000 . The objective function for training is first based on the instantaneous filtered velocity fields from a corresponding direct numerical simulation, and the training is by a stochastic gradient descent method, which uses the adjoint Navier-Stokes equations to provide the end-to-end sensitivities of the model weights to the velocity fields. In-sample and out-of-sample testing on multiple dual-jet configurations show that its required mesh density in each coordinate direction for prediction of mean flow, Reynolds stresses, and spectra is half that needed by the dynamic Smagorinsky model for comparable accuracy. The same neural-network model trained directly to match filtered subgrid-scale stresses, without the constraint of being embedded within the flow equations during the training, fails to provide a qualitatively correct prediction. The coupled formulation is generalized to train based only on mean-flow and Reynolds stresses, which are more readily available in experiments. The mean-flow training provides a robust model, which is important, though a somewhat less accurate prediction for the same coarse meshes, as might be anticipated due to the reduced information available for training in this case. The anticipated advantage of the formulation is that the inclusion of resolved physics in the training increases its capacity to extrapolate. This is assessed for the case of passive scalar transport, for which it outperforms established models due to improved mixing predictions.

42 ENGINEERING↗

Mapping Spiking Neural Networks to Heterogeneous Crossbar Architectures using Integer Linear Programming

Advances in novel hardware devices and architectures allow Spiking Neural Network (SNN) evaluation using ultra-low power, mixed-signal, memristor crossbar arrays. As individual network sizes quickly scale beyond the dimensional capabilities of single crossbars, networks must be mapped onto multiple crossbars. Crossbar sizes within modern Memristor Crossbar Architectures (MCAs) are determined predominately not by device technology but by network topology; more, smaller crossbars consume less area thanks to the high structural sparsity found in larger, brain-inspired SNNs. Motivated by continuing increases in SNN sparsity due to improvements in training methods, we propose utilizing heterogeneous crossbar sizes to further reduce area consumption. This approach was previously unachievable as prior compiler studies only explored solutions targeting homogeneous MCAs. Our work improves on the state-of-the-art by providing Integer Linear Programming (ILP) formulations supporting arbitrarily heterogeneous architectures. By modeling axonal interactions between neurons, our methods produce better mappings while removing inhibitive a priori knowledge requirements. We first show a 16.7-27.6% reduction in area consumption for square-crossbar homogeneous architectures. Then, we demonstrate 66.9-72.7% further reduction when using a reasonable configuration of heterogeneous crossbar dimensions. Next, we present a new optimization formulation capable of minimizing the number of inter-crossbar routes. When applied to solutions already near-optimal in area, an 11.9-26.4% routing reduction is observed without impacting area consumption. Finally, we present a profile-guided optimization capable of minimizing the number of runtime spikes between crossbars. Compared to the best-area-then-route optimized solutions, we observe a further 0.5-14.8% inter-crossbar spike reduction while requiring 1–3 orders of magnitude less solver time.

Pohl, Devin [ORNL] (ORCID:0009000040149027)↗

Observation of an Unexpected n -Type Semiconducting Behavior in the New Ternary Zintl Phase Eu 3 InAs 3

The ternary arsenides Eu 3 InAs 3 and Sr 3 InAs 3 have been obtained by reactions of the elements in In flux at 1373 K. Structure elucidation by single-crystal X-ray diffraction reveals that Eu 3 InAs 3 and Sr 3 InAs 3 adopt the same orthorhombic structure (space group Pnma, Z = 4, Ca 3 AlAs 3 structure type) with unit cell parameters a = 12.9179(9) Å, b = 4.3990(3) Å, c = 13.9337(10) Å and a = 13.0218(11) Å, b = 4.4364(4) Å, c = 14.1339(12) Å, respectively. The structure consists of linear chains of corner-sharing InAs4 tetrahedra, [InAs 2 As 2/2 ] 6– , and Eu 2+ /Sr 2+ cations. Therefore, both Eu 3 InAs 3 and Sr 3 InAs 3 are valence-precise Zintl phases. As expected from the closed-shell electronic configurations, semiconducting behavior is confirmed by resistivity measurements on single crystals for both and by electronic band structure calculations for Sr 3 InAs 3 . The temperature dependence of resistivity and the computational work are in agreement that Eu 3 InAs 3 and Sr 3 InAs 3 are intrinsic semiconductors with narrow band gaps. Thermopower measurement on single-crystalline samples of Eu 3 InAs 3 shows that in the whole measured temperature range, from 300 to 700 K, the values for the Seebeck coefficient are negative. The observation of a negative Seebeck coefficient with very large absolute value (>400–500 μV K –1 at 700 K) is unexpected among the Zintl phases and suggestive that electrons are the majority charge carriers. Such a rare, n-type charge transport in an undoped compound such as Eu 3 InAs 3 , a material that has not been purposely optimized, could indicate native “defect” chemistry, and not extrinsic doping, as a reason for the unusual behavior. Here, a possible explanation involves a mixed-valent Eu 2+ /Eu 3+ state, which might be inferred from the measured effective paramagnetic moment of 7.2 μB per Eu atom, which is lower than the theoretically predicted value for free-ion moment of 7.9 μ B /Eu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigating the Impact of Absorbed Surface Impurities (CO, CO 2 , CH 4 , and H 2 O) on Getter Rate Performance

This report provides an overview of engineering and experimental efforts to establish a new capability for measuring H2 uptake rates for Tritium Producing Abosrber Rod (TPBAR) getter materials. This new system was used to gain a better understanding of the impact of contaminant species (CO 2 , CO, CH 4 , and H 2 O) on getter performance under relevant hydrogen uptake conditions (350 °C, 20 torr). Herein, we successfully established a high-resolution gravimetric sorption (HRGS) system in a flow through configuration that can measure sample mass changes with high resolution (1 µg or 10 µg) over long experiment times (days), high temperature, and varying pressures. We coupled this capability with an in-line universal gas analyzer (UGA) system to characterize potential surface chemistry side reactions occurring after contaminant gas exposure. The major findings of this study suggest that methane and CO have the most detrimental effects on getter H 2 uptake performance showing large changes in rate after exposure compared to CO 2 and water. The effect of these contaminant species did not influence getter sample capacity (~ 1.8 wt% H 2 ). After CO and methane exposure, changes in getter rate were accompanied by observable Ni-surface defects and pinholes via SEM imaging suggesting possible Ni- layer corrosion. Additionally, the increase in C and O signal in the zircaloy layer, observed via EDX, point to C and O species transport through the getter sample resulting in the formation of carbides and oxide species. Thus, co-exposure studies where mixed gases or water vapor are introduced together will be important to further understand what mechanisms are contributing to Ni-layer corrosion and changes in getter performance.

36 MATERIALS SCIENCE↗

Cascade Optimization for Aircraft Engines With Regression and Neural Network Analysis - Approximators

The NASA Engine Performance Program (NEPP) can configure and analyze almost any type of gas turbine engine that can be generated through the interconnection of a set of standard physical components. In addition, the code can optimize engine performance by changing adjustable variables under a set of constraints. However, for engine cycle problems at certain operating points, the NEPP code can encounter difficulties: nonconvergence in the currently implemented Powell's optimization algorithm and deficiencies in the Newton-Raphson solver during engine balancing. A project was undertaken to correct these deficiencies. Nonconvergence was avoided through a cascade optimization strategy, and deficiencies associated with engine balancing were eliminated through neural network and linear regression methods. An approximation-interspersed cascade strategy was used to optimize the engine's operation over its flight envelope. Replacement of Powell's algorithm by the cascade strategy improved the optimization segment of the NEPP code. The performance of the linear regression and neural network methods as alternative engine analyzers was found to be satisfactory. This report considers two examples-a supersonic mixed-flow turbofan engine and a subsonic waverotor-topped engine-to illustrate the results, and it discusses insights gained from the improved version of the NEPP code.

Patnaik, Surya N.↗