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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4

Local control of defects and switching properties in ferroelectric thin films

Electric-field switching of polarization is the building block of a wide variety of ferroelectric devices. In turn, understanding the factors affecting ferroelectric switching and developing routes to control it are of great technological significance. This research provides systematic experimental evidence of the role of defects in affecting ferroelectric-polarization switching and utilizes the ability to deterministically create and spatially locate point defects in $PbZr_{0.2}Ti_{0.8}O_3$ thin films via focused-helium-ion bombardment and the subsequent defect-polarization coupling as a knob for on-demand control of ferroelectric switching (e.g., coercivity and imprint). At intermediate ion doses ($0.22-2.2×10^{14}\,ions\,cm^{-2}$), the dominant defects (isolated point defects and small clusters) show a weak interaction with domain walls (pinning potentials from $200-500\,K\,MV\,cm^{-1}$), resulting in small and symmetric changes in the coercive field. At high doses ($0.22-1×10^{15}\,ions\,cm^{-2}$), on the other hand, the dominant defects (larger defect complexes and clusters) strongly pin domain-wall motion (pinning potentials from 500 to $1600\,K\,MV\,cm^{-1}$), resulting in a large increase in the coercivity and imprint, and a reduction in the polarization. This local control of ferroelectric switching provides a route to produce novel functions; namely, tunable multiple polarization states, rewritable pre-determined 180° domain patterns, and multiple zero-field piezoresponse and permittivity states. Such an approach opens up pathways to achieve multilevel data storage and logic, nonvolatile self-sensing shape-memory devices, and nonvolatile ferroelectric field-effect transistors.

36 MATERIALS SCIENCE↗

Grain Boundary Phases in NbFeSb Half‐Heusler Alloys: A New Avenue to Tune Transport Properties of Thermoelectric Materials

Abstract Many thermoelectric materials benefit from complex microstructures. Grain boundaries (GBs) in nanocrystalline thermoelectrics cause desirable reduction in the thermal conductivity by scattering phonons, but often lead to unwanted loss in the electrical conductivity by scattering charge carriers. Therefore, modifying GBs to suppress their electrical resistivity plays a pivotal role in the enhancement of thermoelectric performance, zT . In this work, different characteristics of GB phases in Ti‐doped NbFeSb half‐Heusler compounds are revealed using a combination of scanning transmission electron microscopy and atom probe tomography. The GB phases adopt a hexagonal close‐packed lattice, which is structurally distinct from the half‐Heusler grains. Enrichment of Fe is found at GBs in Nb 0.95 Ti 0.05 FeSb, but accumulation of Ti dopants at GBs in Nb 0.80 Ti 0.20 FeSb, correlating to the bad and good electrical conductivity of the respective GBs. Such resistive to conductive GB phase transition opens up new design space to decouple the intertwined electronic and phononic transport in thermoelectric materials.

36 MATERIALS SCIENCE↗

Visualizing moiré ferroelectricity via plasmons and nano-photocurrent in graphene/twisted-WSe2 structures

Abstract Ferroelectricity, a spontaneous and reversible electric polarization, is found in certain classes of van der Waals (vdW) materials. The discovery of ferroelectricity in twisted vdW layers provides new opportunities to engineer spatially dependent electric and optical properties associated with the configuration of moiré superlattice domains and the network of domain walls. Here, we employ near-field infrared nano-imaging and nano-photocurrent measurements to study ferroelectricity in minimally twisted WSe 2 . The ferroelectric domains are visualized through the imaging of the plasmonic response in a graphene monolayer adjacent to the moiré WSe 2 bilayers. Specifically, we find that the ferroelectric polarization in moiré domains is imprinted on the plasmonic response of the graphene. Complementary nano-photocurrent measurements demonstrate that the optoelectronic properties of graphene are also modulated by the proximal ferroelectric domains. Our approach represents an alternative strategy for studying moiré ferroelectricity at native length scales and opens promising prospects for (opto)electronic devices.

42 ENGINEERING↗

Direct visualization of phase separation between superconducting and nematic domains in Co-doped CaFe 2 As 2 close to a first-order phase transition

We show that biaxial strain induces alternating tetragonal superconducting and orthorhombic nematic domains in Co substituted CaFe 2 As 2 . We use Atomic Force, Magnetic Force and Scanning Tunneling Microscopy (AFM, MFM and STM) to identify the domains and characterize their properties, nding in particular that tetragonal superconducting domains are very elongated, more than several tens of μm long and about 30 nm wide, have the same Tc than unstrained samples and hold vortices in a magnetic eld. Thus, biaxial strain produces a phase separated state, where each phase is equivalent to what is found at either side of the rst order phase transition between antiferromagnetic orthorhombic and superconducting tetragonal phases found in unstrained samples when changing Co concentration. Having such alternating superconducting domains separated by normal conducting domains with sizes of order of the coherence length opens opportunities to build Josephson junction networks or vortex pinning arrays and suggests that first order quantum phase transitions lead to nanometric size phase separation under the influence of strain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

"Traffic Control via Connected and Automated Vehicles: An Open-Road Field Experiment with 100 CAVs"

The CIRCLES project aims to reduce instabilities in traffic flow, which are naturally occurring phenomena due to human driving behavior. These "phantom jams" or "stop-and-go waves,"are a significant source of wasted energy. Toward this goal, the CIRCLES project designed a control system referred to as the MegaController by the CIRCLES team, that could be deployed in real traffic. Our field experiment leveraged a heterogeneous fleet of 100 longitudinally-controlled vehicles as Lagrangian traffic actuators, each of which ran a controller with the architecture described in this paper. The MegaController is a hierarchical control architecture, which consists of two main layers. The upper layer is called Speed Planner, and is a centralized optimal control algorithm. It assigns speed targets to the vehicles, conveyed through the LTE cellular network. The lower layer is a control layer, running on each vehicle. It performs local actuation by overriding the stock adaptive cruise controller, using the stock on-board sensors. The Speed Planner ingests live data feeds provided by third parties, as well as data from our own control vehicles, and uses both to perform the speed assignment. The architecture of the speed planner allows for modular use of standard control techniques, such as optimal control, model predictive control, kernel methods and others, including Deep RL, model predictive control and explicit controllers. Depending on the vehicle architecture, all onboard sensing data can be accessed by the local controllers, or only some. Control inputs vary across different automakers, with inputs ranging from torque or acceleration requests for some cars, and electronic selection of ACC set points in others. The proposed architecture allows for the combination of all possible settings proposed above. Most configurations were tested throughout the ramp up to the MegaVandertest.

Lee, Jonathan↗

CFD Simulations to Support Pronghorn Modeling of a Molten Salt Fast Reactor

To assist with the deployment of next generation molten salt reactors (MSRs), the DOE NEAMS program is developing advanced simulation capabilities. As part of this work, the high-fidelity CFD tool, Nek5000 was used to inform model development for the engineering scale tool, Pronghorn. The particular case chosen was the EVOL molten salt fast reactor concept. This concept uses an open core design, which is well known to be sensitive to the particular geometry and can have complex flow behavior that varies across a range of conditions. This makes it an idea candidate for demonstration of the Hi2Lo concept of using higher fidelity models to benchmark lower fidelity models. Simulations of the EVOL design were performed using both LES (high-fidelity) and RANS (moderate-fidelity) in Nek5000. The LES results indicated discrepancies in 2-D axisymmetric RANS, indicating that the core is better modeled in RANS with a 3-D wedge representation of a portion of the core, which can accurately account for the effect of the inlet channels. Finally, results from the 3-D RANS were used to modify an existing turbulence model in Pronghorn. Improvement in the calibrated Pronghorn model was demonstrated. Future work is suggested to focus on expanding the LES calculation to provide a more direct point of comparison for both the RANS and Pronghorn models as well as incorporating more of the relevant MSR physics (such as delayed neutron precursor tracking) into the model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Probability of Forming Gaps in the GD-1 Stream by Close Encounters of Globular Clusters

One of the most intriguing properties of the GD-1 stellar stream is the existence of three gaps. If these gaps were formed by close encounters with dark matter subhalos, the GD-1 stream opens an exciting window through which we can see the size, mass, and velocity distributions of the dark matter subhalos in the Milky Way. However, in order to use the GD-1 stream as a probe of the dark matter substructure, we need to disprove that these gaps are not due to the perturbations from baryonic components of the Milky Way. Here we ran a large number of test-particle simulations to investigate the probability that each of the known globular clusters (GCs) can form a GD-1-like gap, by using the kinematical data of the GD-1 stream and GCs from Gaia early data release 3 and by fully taking the observational uncertainty into account. We found that the probability that all of the three gaps were formed by GCs is as low as 1.7 × 10 -5 , and the expected number of gaps formed by GCs is only 0.057 in our fiducial model. Our result highly disfavors a scenario in which GCs form the gaps. Given that other baryonic perturbers (e.g., giant molecular clouds) are even less likely to form a gap in the retrograde-moving GD-1 stream, we conclude that at least one of the gaps in the GD-1 stream was formed by dark matter subhalos if the gaps were formed by flyby perturbations.

79 ASTRONOMY AND ASTROPHYSICS↗

Traffic Control via Connected and Automated Vehicles (CAVs): An Open-Road Field Experiment with 100 CAVs

The CIRCLES project aims to reduce instabilities in traffic flow, which are naturally occurring phenomena due to human driving behavior. Also called “phantom jams” or “stop-and-go waves,” these instabilities are a significant source of wasted energy. Toward this goal, the CIRCLES project designed a control system, referred to as the MegaController by the CIRCLES team, that could be deployed in real traffic. Our field experiment, the MegaVanderTest (MVT), leveraged a heterogeneous fleet of 100 longitudinally controlled vehicles as Lagrangian traffic actuators, each of which ran a controller with the architecture described in this article. The MegaController is a hierarchical control architecture that consists of two main layers. The upper layer is called the Speed Planner and is a centralized optimal control algorithm. It assigns speed targets to the vehicles, conveyed through the LTE cellular network. The lower layer is a control layer, running on each vehicle. It performs local actuation by overriding the stock adaptive cruise controller, using the stock onboard sensors. The Speed Planner ingests live data feeds provided by third parties as well as data from our own control vehicles and uses both to perform the speed assignment. The architecture of the Speed Planner allows for the modular use of standard control techniques, such as optimal control, model predictive control (MPC), kernel methods, and others. The architecture of the local controller allows for the flexible implementation of local controllers. Corresponding techniques include deep reinforcement learning (RL), MPC, and explicit controllers. Depending on the vehicle architecture, all onboard sensing data can be accessed by the local controllers or only some. Likewise, control inputs vary across different automakers, with inputs ranging from torque or acceleration requests for some cars to electronic selection of adaptive cruise control (ACC) setpoints in others. The proposed architecture technically allows for the combination of all possible settings proposed previously, that is {Speed Planner algorithms} × {local Vehicle Controller algorithms} × {full or partial sensing} × {torque or speed control}. As a result, most configurations were tested throughout the ramp up to the MegaVandertest (MVT).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

EPICS for small-scale laboratories with Python soft IOCs

While the Experimental Physics and Industrial Control System (EPICS) is widely used at large laboratories for slow controls and instrumentation, the deployment of a full EPICS installation can be difficult, with a steep learning curve to new users. Taking advantage of the pythonSoftIOC module, we developed an EPICS slow controls implementation for Jefferson Lab's Hall B cryotarget written entirely in Python and based on software IOCs that communicate with instruments over Ethernet. Here, this system ran successfully, interfacing with Jefferson Lab's full EPICS network, and we offer it as an example of the capabilities of pythonSoftIOC to build lightweight, yet robust and flexible instrumentation platforms that would be easily adapted for use at a small-scale laboratory. University groups can use these examples to build complete slow controls systems, from device communication to data archiving and display, using open-source, mature EPICS tools and student-friendly Python as an alternative to expensive and proprietary systems such as LabVIEW.

Computing↗

Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency

Here, a long standing question in organic electronics concerns the effects of molecular orientation at donor/acceptor heterojunctions. Given a well-controlled donor/acceptor bilayer system, we uncover the genuine effects of molecular orientation on charge generation and recombination. These effects are studied through the point of view of photovoltaics—however, the results have important implications on the operation of all optoelectronic devices with donor/acceptor interfaces, such as light emitting diodes and photodetectors. Our findings can be summarized by two points. First, devices with donor molecules face-on to the acceptor interface have a higher charge transfer state energy and less non-radiative recombination, resulting in larger open-circuit voltages and higher radiative efficiencies. Second, devices with donor molecules edge-on to the acceptor interface are more efficient at charge generation, attributed to smaller electronic coupling between the charge transfer states and the ground state, and lower activation energy for charge generation.

14 SOLAR ENERGY↗

Multidisciplinary Optimization of a Transonic Truss Braced Wing Aircraft with Hybrid-Electric Propulsion

Next generation aircraft concepts have subsystems that are increasingly inter-connected. This necessitates advanced design tools using gradient based optimization to properly account for strong subsystem coupling in these aircraft. Additionally, these design tools require accurate modeling capability to support the increased interest in electrified propulsion. Design studies for these aircraft must consider the trade-offs between electric propulsion and turbojet engines at all points in the flight envelope to determine the optimal balance between propulsion options. This paper describes the development of an electric propulsion subsystem model designed to work within Aviary - an open source aircraft design tool. We will demonstrate the electric propulsion model operating with Aviary by showing results from an optimized Transonic Truss-Braced Wing (TTBW) concept using assisted electric propulsion during climb. First, we present results with and without electrification to show the overall system impacts of hybrid electric propulsion during climb. We also present two distinct battery models compatible with this optimization framework, and compare results using both. Next, we ran the same problem using a slightly different cell type, and demonstrate a considerable change in the result. Finally, we vary the cell energy density of the batteries, and provide an illustrative trend for the system-level impact for improving cell technology.

optimization↗

Enhancement of the Open National Combustion Code (OpenNCC) and Initial Simulation of Energy Efficient Engine Combustor

In this paper, we present the recent enhancement of the Open National Combustion Code (OpenNCC) and apply the OpenNCC to model a realistic combustor configuration (Energy Efficient Engine (E3)). First, we perform a series of validation tests for the newly-implemented advection upstream splitting method (AUSM) and the extended version of the AUSM-family schemes (AUSM+-up). Compared with the analytical/experimental data of the validation tests, we achieved good agreement. In the steady-state E3 cold flow results using the Reynolds-averaged Navier-Stokes(RANS), we find a noticeable difference in the flow fields calculated by the two different numerical schemes, the standard Jameson- Schmidt-Turkel (JST) scheme and the AUSM scheme. The main differences are that the AUSM scheme is less numerical dissipative and it predicts much stronger reverse flow in the recirculation zone. This study indicates that two schemes could show different flame-holding predictions and overall flame structures.

Combustor-turbine interaction↗

Enhancement of the Open National Combustion Code (OpenNCC) and Initial Simulation of Energy Efficient Engine Combustor

In this paper, we present the recent enhancement of the Open National Combustion Code (OpenNCC) and apply the OpenNCC to model a realistic combustor configuration (Energy Efficient Engine (E3)). First, we perform a series of validation tests for the newly-implemented advection upstream splitting method (AUSM) and the extended version of the AUSM-family schemes (AUSM+-up). Compared with the analytical/experimental data of the validation tests, we achieved good agreement. In the steady-state E3 cold flow results using the Reynolds-averaged Navier-Stokes(RANS), we find a noticeable difference in the flow fields calculated by the two different numerical schemes, the standard Jameson- Schmidt-Turkel (JST) scheme and the AUSM scheme. The main differences are that the AUSM scheme is less numerical dissipative and it predicts much stronger reverse flow in the recirculation zone. This study indicates that two schemes could show different flame-holding predictions and overall flame structures.

Code validation↗

Tunable room-temperature ferromagnetism in Co-doped two-dimensional van der Waals ZnO

The recent discovery of ferromagnetism in two-dimensional van der Waals crystals has provoked a surge of interest in the exploration of fundamental spin interaction in reduced dimensions. However, existing material candidates have several limitations, notably lacking intrinsic room-temperature ferromagnetic order and air stability. Here, motivated by the anomalously high Curie temperature observed in bulk diluted magnetic oxides, we demonstrate room-temperature ferromagnetism in Co-doped graphene-like Zinc Oxide, a chemically stable layered material in air, down to single atom thickness. Through the magneto-optic Kerr effect, superconducting quantum interference device and X-ray magnetic circular dichroism measurements, we observe clear evidences of spontaneous magnetization in such exotic material systems at room temperature and above. Transmission electron microscopy and atomic force microscopy results explicitly exclude the existence of metallic Co or cobalt oxides clusters. X-ray characterizations reveal that the substitutional Co atoms form Co 2+ states in the graphitic lattice of ZnO. By varying the Co doping level, we observe transitions between paramagnetic, ferromagnetic and less ordered phases due to the interplay between impurity-band-exchange and super-exchange interactions. Our discovery opens another path to 2D ferromagnetism at room temperature with the advantage of exceptional tunability and robustness.

36 MATERIALS SCIENCE↗

Data-Driven RANS Turbulence Closures for Forced Convection Flow in Reactor Downcomer Geometry

Recent progress in data-driven turbulence modeling has shown its potential to enhance or replace traditional equation-based Reynolds-averaged Navier-Stokes (RANS) turbulence models. Here, this work utilizes invariant neural network (NN) architectures to model Reynolds stresses and turbulent heat fluxes in forced convection flows (when the models can be decoupled). As the considered flow is statistically one dimensional, the invariant NN architecture for the Reynolds stress model reduces to the linear eddy viscosity model. To develop the data-driven models, direct numerical and RANS simulations in vertical planar channel geometry mimicking a part of the reactor downcomer are performed. Different conditions and fluids relevant to advanced reactors (sodium, lead, unitary-Prandtl-number fluid, and molten salt) constitute the training database. The models enabled accurate predictions of velocity and temperature, and compared to the baseline k–τ turbulence model with the simple gradient diffusion hypothesis, do not require tuning of the turbulent Prandtl number. The data-driven framework is implemented in the open-source graphics processing unit–accelerated spectral element solver nekRS and has shown the potential for future developments and consideration of more complex mixed convection flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

OpenNEX: An open collaboration platform for the earth science community

Satellite data from the past several decades provide the most consistent record of land-surface processes that form the basis for scientific assessments of the impacts of climate variations and changes on the environment and human social-economical activities. During this time, scientific research on the characterization and assessment of environmental changes had tended to focus on large-scale land-surface changes with significant social-economic impacts. Increasingly, attention is shifting toward changes that occur more locally and that most directly relate to the everyday life of the majority of the population. In addition, there has been needs to develop management and policy decision support systems that are based on local environmental information. Almost at the same time, the advancement in sensor technology has allowed us to collect an unprecedented volume of environmental data. These data must be curated and analyzed to extract useful information for research and decision support purposes. Established in 2013 and funded by NASA, the Open NASA Earth eXchange (OpenNEX; https://opennex.org/ , Jia et al., 2019 ) project partnered with Amazon Web Services (AWS) to make available a large amount of Earth observing data, modeling results, and analysis tools on the AWS. OpenNEX provides researchers, developers, educators, and ordinary users with easy access to an integrated Earth science computational and data platform, enabling citizen scientists and application developers to realize the full value of NASA data assets and software tools. To encourage the public's engagement in this project, NASA ran virtual workshops and prize competitions. The virtual workshops provided online lectures and tutorials about how prominent scientists used the data in their research and the tutorials gave examples how to use the tools to interrogate the data in the Amazon cloud. Finally, the prize competitions allowed much wider participation in the OpenNEX project and enable testing the non-traditional projects and out-of-box ideas. OpenNEX has continued to evolve and mature. Here, we highlight new features and functionalities available to the community.

Jian Zhang↗

NASA 5.2%-Scale High Lift Common Research Model (CRM-HL) Test in the National Transonic Facility (NTF)

Problem: Predicting CL,max and assessing transition, turbulence models, and Reynolds number effect predictions in CFD requires wind tunnel data for comparison. Objective: Expand the CFD validation database by running multiple models designed using the same reference geometry in various wind tunnels around the world. The wind tunnel data and model geometry will be open source to allow for CFD validation use. Approach: Run the NASA 5.2%-scale High Lift Common Research Model (CRM-HL) semi-span model at the National Transonic Facility (NTF). Test the model at chord Reynolds numbers (Rec) between 1.6 million and 30 million and at varying Q/Es to assess Reynolds number effects and aeroelasticity affects on the model, while collecting force and moment, pressure and wing deformation data. Test the model with ice shapes installed on the leading edges. Results: Ran eight model configurations, including four landing, two landing with ice shapes installed, and two takeoff configurations. Ran in air (120°F) and nitrogen operations (-50°F, -180°F and -250°F) at 7 different chord Reynolds numbers. The data compare well with previous tests of the same model at DLR (The Germany Aerospace Center) and the 14- by 22-Foot Subsonic Tunnel (14x22). Significance: Provided valuable high Reynolds number data on a high lift configuration to the worldwide research community. Provide icing data at flight Reynolds number to the research community.

CRM-HL↗

Strangeness Physics at CLAS in the 6 GeV Era

A very brief overview is presented of varied strangeness-physics studies that have been conducted with the CLAS system in the era of 6 GeV beam at Jefferson Lab. A full bibliography of articles related to open strangeness production is given, together with some physics context for each work. One natural place where these studies could be continued, using a K L beam and the GlueX detector, is in the further investigation of the Λ(1405) baryon. The line shapes and cross sections of this state were found, using photoproduction at CLAS, to differ markedly in the three possible Σπ final states. The analogous strong-interaction reactions using a K L beam could further bring this phenomenon into focus. 1. The CLAS program ran from 1998 to 2012, during the time when the maximum Jefferson Lab beam energy was 6 GeV. An important thrust of this program was to investigate the spectrum of N * and Δ * (non-strange) baryon resonances using photo-and electro-production reactions. To this end, final states containing strange particles (K mesons and low-mass hyperons) played a significant role. The reason for this is partly due to favorable kinemat-ics. When the total invariant energy W (= √ s) of a baryonic system exceeds 1.6 GeV it becomes possible to create the lightest strangeness-containing final state, K + Λ. This is a two-body final state that is straightforward to reconstruct in the CLAS detector system [1], and theoretically it is easier to deal with two-body reaction amplitudes than with three-and higher-body reaction amplitudes. In the mass range W > 1.6 GeV the decay modes of excited nucleons tend to not to favor two-body π-nucleon final states but rather multi-pion states. As input to partial-wave decompositions and resonance-extraction models, therefore, the strangeness-containing final states of high-mass nucleon excitations have had importance. Excited baryons decay through all possible channels simultaneously, constrained by unitarity of course, and channel-coupling is crucial to determining the spectrum of excita-tions. Within this mix of amplitudes, however, the KY decay modes have proven useful. The end result has been, as summarized in the recent edition of the Review of Particle Properties [2], clearer definition of the spectrum of baryonic excitations, with definite contributions from the strangeness sector channels. To this end, strangeness photoproduction cross sections measurements at CLAS for the K + Λ, K + Σ 0 and K 0 Σ + channels on a proton target were published [3–6]. Cross sections are not enough, in general, to define the reaction mechanism, including the underlying N * excitation spectrum. Photoproduction of pseudo-scalar mesons is described by four complex amplitudes, leading to fifteen spin observables in addition to the cross section. Full knowledge of these spin observables would exhaust the information that can be gleaned experimentally about any given reaction channel. Here the hyperonic channels offer another advantage when compared with the non-strange reaction channels: the polarization of most hyperons can be measured directly through their parity-violating weak decay asymmetries. Unlike 163

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗