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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Group-equivariant autoencoder for identifying spontaneously broken symmetries

We introduce the group-equivariant autoencoder (GE autoencoder), a deep neural network (DNN) method that locates phase boundaries by determining which symmetries of the Hamiltonian have spontaneously broken at each temperature. We use group theory to deduce which symmetries of the system remain intact in all phases, and then use this information to constrain the parameters of the GE autoencoder such that the encoder learns an order parameter invariant to these “never-broken” symmetries. This procedure produces a dramatic reduction in the number of free parameters such that the GE-autoencoder size is independent of the system size. We include symmetry regularization terms in the loss function of the GE autoencoder so that the learned order parameter is also equivariant to the remaining symmetries of the system. By examining the group representation by which the learned order parameter transforms, we are then able to extract information about the associated spontaneous symmetry breaking. We test the GE autoencoder on the 2D classical ferromagnetic and antiferromagnetic Ising models, finding that the GE autoencoder (1) accurately determines which symmetries have spontaneously broken at each temperature; (2) estimates the critical temperature in the thermodynamic limit with greater accuracy, robustness, and time efficiency than a symmetry-agnostic baseline autoencoder; and (3) detects the presence of an external symmetry-breaking magnetic field with greater sensitivity than the baseline method. Lastly, we describe various key implementation details, including a quadratic-programming-based method for extracting the critical temperature estimate from trained autoencoders and calculations of the DNN initialization and learning rate settings required for fair model comparisons.

42 ENGINEERING↗
DOE OSTI2022

Modifying Interface Solvation and Oxygen Reduction Electrocatalysis with Hydrophobic Species

Ionic liquid interlayers improve the oxygen reduction reaction (ORR) kinetics on bulk and nanostructured catalysts for both Pt and alloyed-Pt materials. Despite the demonstrated performance enhancement at the half-cell and membrane electrode assembly level, the mechanism of the improvement is not fully understood. In this work, we combine single-crystal experiments with microkinetic modeling to uncover the origin of the ORR kinetic improvement on Pt(111) in the presence of ionic liquids and hydrophobic cations. With the incorporation of a modified Frumkin isotherm, our model accurately simulates the disorder–order transition observed in hydroxyl and bisulfate adsorption on Pt(111) under acidic conditions. Voltametric analysis shows that ionic liquids impact solvation to break so-called scaling relations between the adsorption strength of OH ad and O ad , but these effects have little impact on ORR activity. Instead, destabilized OH ad reduces the overall hydroxyl (spectator) coverage, resulting in higher availability of active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Interzeolite Transformation through Cross-Nucleation: A Molecular Mechanism for Seed-Assisted Synthesis

Polymorph selection and efficient crystallization are central goals in zeolite synthesis. Crystalline seeds are used for both purposes. While it has been proposed that zeolite seeds induce interzeolite transformation by dissolving into structural units that promote nucleation of the daughter crystal, the seed’s structural elements do not always match those of the target zeolite. This discrepancy raises the question of how the seed promotes the daughter phase. Here, we present the first molecularly resolved investigation of seed-assisted zeolite synthesis. Using molecular simulations, we reproduce the experimental finding that a parent zeolite can promote the nucleation of a daughter zeolite even when it lacks common composite building units (CBUs) or crystal planes. Modeling the seed-assisted synthesis of an AFI-type zeolite using zeolite CHA, our simulations indicate that stand-alone CBUs from the parent seed do not facilitate daughter crystal formation. However, introducing the intact seed significantly reduces the synthesis time, supporting that seed integrity is key to increased efficiency. This reduction arises from the cross-nucleation of the AFI-type zeolite on the CHA (001) face. We find that parent and daughter zeolites are connected by an interfacial transition layer with an order distinct from that of both zeolites. Simulations reveal that cross-nucleation occurs over a broad range of synthesis conditions. We argue that cross-nucleation would be most favorable for zeolite pairs that share crystalline planes such as those forming intergrowths. In conclusion, our findings suggest that the prevalence of intergrowths with a common lattice plane in zeolite synthesis is likely a kinetic effect of accelerated cross-nucleation.

Crystallization↗
DOE OSTI2025

Optimizing ensemble NV − spin properties of fluorescent diamond microparticles by systematic low pressure high temperature annealing

Low pressure high temperature annealing is a means for driving nitrogen and defect diffusion in diamond to reduce internal lattice damage without the need for technically complicated high-pressure cells. Herein, we perform a systematic time (5, 15, and 30 min) and temperature (1200 °C–1800 °C) study of effects of low-pressure high temperature annealing on photoluminescence, spin concentrations, and spin relaxation properties of NV centers in ca. 3 μm synthetic type 1b diamond particles. Annealing in the temperature range of ca. 1400 °C–1700 °C for even 5 min leads to a higher optically detected magnetic resonance contrast as compared to standard annealing at 900 °C for 2 h. Particles annealed at 1700 °C for 5 min exhibit a contrast close to about 13% as compared to about 9% for those annealed at 900 °C for 2 h. A reduction in the zero-field splitting strain parameter from E ≈ 4.5 MHz to ≈ 2.5 MHz and spectral linewidth from Δν ≈ 7 MHz to ≈ 4 MHz are observed even after 5 min annealing at 1700 °C. Improvements in these spectral parameters resulted in a roughly 2-fold reduction in the noise level of temperature monitoring experiment utilizing an ensemble of NV centers in the particles. Annealing in the temperature range of 1600 °C for 15 or 30 min or 1700 °C for 5 min resulted in NV T 1 relaxation times approaching ca. 5 ms typically observed for bulk diamond. Quantitative electron paramagnetic resonance (EPR) allowed for estimations of thermal activation energies of paramagnetic center annihilation. Monitoring the primary defect concentration (P1 and other defects with half integer spins) and utilizing second order kinetic modeling, an activation energy of 3.63 ± 0.28 eV was estimated. Alternatively, using the NV half field EPR signal and first order kinetic modeling, a similar activation energy 3.89 ± 0.29 eV was estimated.

NV centers↗
DOE OSTI2021

Micro-cantilever beam experiments and modeling in porous polycrystalline UO 2

Understanding the impact of microstructure on the thermo-mechanical behavior of oxide nuclear fuels is vital to predicting their performance through multiscale models. Evaluating the mechanical properties at the sub-grain length scale is key to developing these multiscale models. In this work, 3D finite element (FE) models were constructed to simulate the micrometer-scale bending of micro-cantilever beams fabricated using porous polycrystalline uranium dioxide (UO 2 ) and tested at room temperature. Here, the results showed that the porosity and elastic anisotropy of individual grains can play a significant role in determining the effective mechanical properties of the material deduced from the tests. Specifically, the porosity had a non-negligible effect, given that the pore size was of the same order of magnitude as the dimensions of the micro-beams. Correlations between load-deflection data, pore location, and elastic properties (effective Young's modulus) were investigated using UO 2 micro-beam FE models, where pore clusters were included and placed at different locations along the length of the beam. Results indicated that the presence of pore clusters near the substrate, i.e., the clamp of the micro-cantilever beam, has the strongest effect on the load-deflection behavior, with the porosity leading to a reduction of stiffness that is the largest for any location of the pore clusters. Furthermore, it was also found that pore clusters located towards the middle of the span and close to the end of the beam have a comparatively small effect on the load-deflection behavior. Therefore, it is concluded that accurate estimates of Young's modulus can be obtained from micro-cantilever experiments after accounting for porosity on the one third of the beam length close to the clamp. This, in turn, provides an avenue to improve microscale experiments and their analysis in porous, anisotropic elastic materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Home energy management under realistic and uncertain conditions: A comparison of heuristic, deterministic, and stochastic control methods

We report home energy management systems (HEMS) have been shown to reduce energy bills and to provide grid services including peak demand reduction and demand flexibility. However, uncertainty in residential energy systems is a significant issue and can reduce the benefits of a HEMS to the homeowner or grid operator. Sources of uncertainty include weather forecasts, predictions of energy-related occupant activities (e.g., hot water draws), and parameter estimation for the building envelope and energy-consuming equipment. This paper tackles the problem of uncertainty by developing a framework that simulates HEMS in uncertain conditions and evaluates the performance of multiple control strategies. A linear, reduced-order residential building model for model predictive control applications is derived and compared to a full-order model. Stochastic model predictive control is shown to perform better than deterministic and heuristic methods when considering realistic forecasts with uncertainty. The framework can evaluate the performance of HEMS in real-world applications, which can help de-risk HEMS deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Evidence That Sharp Interfaces Suppress Recombination in Thick Organic Solar Cells

Commercialization and scale-up of organic solar cells (OSCs) using industrial solution printing requires maintaining maximum performance at active-layer thicknesses >400 nm – a characteristic still not generally achieved in non-fullerene acceptor OSCs. NT812:PC71BM is a rare system whose performance increases up to these thicknesses due to highly suppressed charge recombination relative to the classic Langevin model. The suppression in this system, however, uniquely depends on device processing, pointing towards the role of nano-morphology. We investigate the morphological origins of this suppressed recombination by combining results from a suite of X-ray techniques. We are surprised to find that while all investigated devices are composed of pure, similarly aggregated nanodomains, Langevin reduction factors can still be tuned from ~2 to >1000. This indicates that pure aggregated phases are insufficient for non-Langevin (reduced) recombination. Instead, we find that large well-ordered conduits and, in particular, sharp interfaces between domains appear to help to keep opposite charges separated and percolation pathways clear for enhanced charge collection in thick active layers. To our knowledge, this is the first quantitative study to isolate donor/acceptor interfacial width correlated to non-Langevin charge recombination. Furthermore, this new structure-property relationship will be key to successful commercialization of printed OSCs at scale.

14 SOLAR ENERGY↗
DOE OSTI2023

Sensitivity Analysis of Genome-Scale Metabolic Flux Prediction

TRIMER, Transcription Regulation Integrated with MEtabolic Regulation, is a genome-scale modeling pipeline targeting at metabolic engineering applications. Using TRIMER, regulated metabolic reactions can be effectively predicted by integrative modeling of metabolic reactions with a Transcription Factor (TF)-gene regulatory network (TRN), which is modeled via a Bayesian network (BN). In this paper, we focus on sensitivity analysis of metabolic flux prediction for uncertainty quantification of BN structures for TRN modeling in TRIMER. We propose a computational strategy to construct the uncertainty class of TRN models based on the inferred regulatory order uncertainty given transcriptomic expression data. With that, we analyze the prediction sensitivity of the TRIMER pipeline for the metabolite yields of interest. The obtained sensitivity analyses can guide Optimal Experimental Design (OED) to help acquire new data that can enhance TRN modeling and achieve specific metabolic engineering objectives, including metabolite yield alterations. Here we have performed small- and large-scale simulated experiments, demonstrating the effectiveness of our developed sensitivity analysis strategy for BN structure learning to quantify the edge importance in terms of metabolic flux prediction uncertainty reduction and its potential to effectively guide OED.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Enabling off-highway diesel engine downsizing and performance improvement using electrically assisted turbocharging

Internal combustion engine (ICE) downsizing through various turbocharging configurations is generally known by the powertrain design community as an effective means to reduce frictional losses, increase waste heat recovery, and improve fuel efficiency while increasing engine power density. However, often is the case that turbocharging strategies, including variable geometry turbochargers, and regulated two-stage turbochargers, incur the performance tradeoff between transient response and fuel economy (pumping losses) at high engine speeds. For off-highway vehicles having particularly transient and high-powered duty cycles, efforts to improve this tradeoff and increase operational flexibility have turned to evaluating various electrified air system architectures. In this study, a 4.5 L diesel-ICE configured with an electrically driven compressor (eBooster ® ) is placed in series with a conventional turbocharger and integrated into a 48 V mild-hybrid powertrain architecture. The objective of this powertrain configuration is to enable engine downsizing by 34%, replacing the current 6.8 L ICE platform with the hybridized 4.5 L ICE concept. The commercial 1-D simulation software GT-SUITE is used for powertrain system development and system optimization. Development and validation of the GT-SUITE model and air system controls is concurrently supported through experimental data collection. The simulation model development includes using machine learning methods for optimizing exhaust gas dilution, injection timing, and eBooster ® power to improve steady-state and transient brake-specific fuel consumption while minimizing criteria pollutant emissions. It was found that total specific fluid consumption over the standardized non-road transient engine duty cycle could be reduced by 18% over the current 6.8 L engine by using an optimized eBoosted 4.5 L engine. The hybridized 4.5 L engine concept concurrently showed sufficient transient response capability and nearly an order of magnitude reduction in duty cycle total soot production.

25 ENERGY STORAGE↗
DOE OSTI2023

Beam dynamics corrections in the measurement of the anomalous precession frequency at the Muon $g-2$ experiment at Fermilab

The Muon $g-2$ experiment at Fermilab (E989) aims to measure the anomalous magnetic moment of the muon with an accuracy of 140 ppb (parts per billions). This accuracy, obtained by adding in quadrature a statistical and a systematic contribution of comparable value (100 ppb), will allow to reduce the experimental uncertainty (from the previous E821 experiment at BNL \cite{bnl}) of a factor of 4, and represents one of the most precise tests of the Standard Model (SM) theory of elementary particles. The first result on the Run-1 dataset \cite{prl} was released on April 7, 2021, showing a very good agreement with the previous result from BNL experiment, with a slightly better uncertainty. The corresponding experimental average increases the significance of the discrepancy between the measured and Standard Model prediction of 4.2$\sigma$ \cite{white_paper}.\\ \noindent The measured quantity is the muon magnetic anomaly a$_\mu$=$\frac{g_\mu-2}{2}$ where g$_\mu$ is the gyromagnetic factor of the muon. Dirac's equation predicts g$_\mu$ = 2, while radiative corrections, dominated by the QED contribution due to an exchange of a virtual photon, causes a per-mille correction on this quantity. By including all the SM contributions, a$_\mu$ is known at 370 ppb. The E989 experiment measures $a_\mu$ injecting positive muons with momentum of 3.1 GeV/$c$ polarized longitudinally in bunches (called $fills$) with an average rate of 12 Hz, in a storage ring of 14 meters diameter. Due to the parity violation in the weak muon decay, high energy positrons produced are emitted preferably in the muon's spin direction. By counting the number of positrons with energy greater then 1.7 GeV in function of the time, the frequency precession of the muon spin is measured, that together with the measurement of the magnetic field, allows to extract $a_\mu$. The positrons are detected with 24 electromagnetic calorimeters, that measure the energy and the arrival time of the positrons, each made of 54 crystals of lead fluoride (PbF$_2$) read by silicon photomultipliers (SiPM). Together with calorimeters, two tracking detectors are used to make non-destructive measurements of the muon beam characteristic by reconstructing the muon decay position extrapolating backward the decay positrons. The knowledge of the beam motion inside the ring plays a fundamental role in the analysis of $a_{\mu}$, where the measured anomalous precession frequency $\omega_a$ must be corrected for four main beam dynamics effects. A first correction is associated with the presence of an electric field responsible of the vertical focusing on the storage ring, where vertical direction is orthogonal to the orbit and horizontal direction is along the storage ring radius. Due to the oscillations in the vertical direction, the so called vertical betatron oscillations, a second correction is necessary to account for an average angle associated with the muon motion off the ideal orbit. A third correction is caused by lost muons in the ring which have a different spin phase at the injection respect to the decay ones. Finally, due to the correlation between the vertical and horizontal beam motion of the muons and the acceptance of the calorimeter, a correction (called ``phase-acceptance") arises. In Run1, due to the presence of two damaged resistors in one electrostatic quadrupole, this correction had a prominent role. The replacement of the damaged resistors before Run2 decreased this effect by one order of magnitude, and a further reduction in Run-3 was provided by an improved orbit.\\ \noindent The work of this Thesis focuses on the beam dynamics corrections on $\omega_a$. Due to the prominent role in Run-1 a special attention has been put to the phase-acceptance correction\footnote{The effect of this correction on the E821 BNL measurement of the $g-2$ has been evaluated to be within the quoted systematic error.}. Chapter \ref{ch:anomalous_magnetic_moment} introduces the anomalous magnetic moment of the muon. Chapter \ref{ch:early_experiment} describes the history of the Muon $g-2$ experiments. Chapter \ref{ch:theory} discusses the Standard Model prediction and possible new physics scenario. Chapter \ref{ch:muon_g2_experiment} describes the E989 experiment, whose experimental technique and the apparatus are discussed focusing on the improvements needed to reach the final goal on $a_\mu$ measurement. The original work of the Thesis is discussed in the last 5 chapters. Chapter \ref{ch:experiment_technique} presents the analysis technique to extract $\omega_a$, Chapter \ref{ch:beam_dynamics} describes the beam dynamics in the E989 experiment, Chapter \ref{ch:beam_dynamics_correction} discusses the beam dynamics correction to $\omega_a$, and Chapter \ref{sec:pa_corr} focuses on the phase acceptance correction. Finally Chapter \ref{ch:run23_analysis_improvements} contains the Run-2/3 improvements which are expected to allow for an increased precision ons the beam dynamics co...

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Hydrological controls of a riparian wetland based on stable isotope data and model simulations

Isotopic evidence of groundwater and stream water is frequently used to investigate water exchanges with groundwater. Monthly sampling of rain, stream water, and groundwater was conducted at Tims Branch watershed in South Carolina for the oxygen and hydrogen stable isotope (δ 2 H and δ 18 O) measurement, as well as pH and oxidation–reduction potential (ORP). Together with a mass balance perspective, it was determined that it takes a few weeks to one month for groundwater in the hyporheic zone to fully exchange with stream water. From hydrodynamic modelling, we show that substantial (up to 70 %) groundwater exchange occurs at gaining and losing sites. Groundwater exfiltration, i.e. inflow into stream water, contributes up to 4 % to stream water, with the remainder from upstream exfiltration. A 2–4 % per day renewal rate of adjacent groundwater would indirectly indicate a groundwater residence time in the order of half a month to a full month (assuming either a well-mixed case or large dispersion rate in pulse flow case), in agreement with a greatly reduced variability of δ 2 H and δ 18 O of groundwater compared to stream water and rain. This reduced variability of stable isotope signal from groundwater confirms our hypothesis that riparian groundwater mixing at Tims Branch is more of a mixed type rather than a pulse flow type. As a result, a monthly time scale is sufficient for groundwater to become anoxic at exit points into stream water resulting in the episodic production of natural organic matter- and iron-rich flocs upon oxidation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Processes and mechanisms of coastal woody-plant mortality

Observations of woody plant mortality in coastal ecosystems are globally widespread, but the overarching processes and underlying mechanisms are poorly understood. This knowledge deficiency, combined with rapidly changing water levels, storm surges, atmospheric CO 2 , and vapor pressure deficit, creates large predictive uncertainty regarding how coastal ecosystems will respond to global change. Here we synthesize the literature on the mechanisms that underlie coastal woody-plant mortality, with the goal of producing a testable hypothesis framework. The key emergent mechanisms underlying mortality include hypoxic, osmotic, and ionic-driven reductions in whole-plant hydraulic conductance and photosynthesis that ultimately drive the coupled processes of hydraulic failure and carbon starvation. The relative importance of these processes in driving mortality, their order of progression, and their degree of coupling depends on the characteristics of the anomalous water exposure, on topographic effects, and on taxa-specific variation in traits and trait acclimation. Greater inundation exposure could accelerate mortality globally; however, the interaction of changing inundation exposure with elevated CO 2 , drought, and rising vapor pressure deficit could influence mortality likelihood. Models of coastal forests that incorporate the frequency and duration of inundation, the role of climatic drivers, and the processes of hydraulic failure and carbon starvation can yield improved estimates of inundation-induced woody-plant mortality.

salinity↗
DOE OSTI2025

Reduced Order Modeling conditioned on monitored features for response and error bounds estimation in engineered systems

Reduced Order Models (ROMs) form essential tools across engineering domains by virtue of their function as surrogates for computationally intensive digital twinning simulators. Although purely data-driven methods are available for ROM construction, schemes that allow to retain a portion of the physics tend to enhance the interpretability and generalization of ROMs. However, physics-based techniques can adversely scale when dealing with nonlinear systems that feature parametric dependencies. This study introduces a generative physics-based ROM that is suited for nonlinear systems with parametric dependencies and is additionally able to provide numerical error bounds associated with the respective estimates. A main contribution of this work is the conditioning of these parametric ROMs to features that can be derived from monitoring measurements, feasibly in an online fashion. This is contrary to most existing ROM schemes, which remain restricted to the prescription of the physics-based, and usually a priori unknown, system parameters. Our work utilizes conditional Variational Autoencoders to continuously map the required reduction bases to a feature vector extracted from limited output measurements, while additionally allowing for a probabilistic assessment of the ROM-estimated Quantities of Interest. An auxiliary task using a neural network-based parametrization of suitable probability distributions is introduced to re-establish the link with physical model parameters. We verify the proposed scheme on a series of simulated case studies incorporating effects of geometric and material nonlinearity under parametric dependencies related to system properties and input load characteristics.

Conditional VAEs↗
DOE OSTI2026

Geothermal-integrated thermally anisotropic building envelope for energy and peak-demand reduction

Buildings consume large amounts of energy for heating and cooling, while peak electricity demand places significant stress on the power grid. This paper presents a reduced-order co-simulation framework and load-oriented supervisory control strategy for a geothermal-integrated thermally anisotropic building envelope with a ground loop (TABE+GL). In TABE+GL, a hydronic loop embedded in the building envelope is directly coupled with a geothermal ground loop, allowing for bidirectional heat exchange between the envelope, the ground, and the indoor environment. A hybrid co-simulation framework was established by coupling a reduced-order resistor–capacitor (RC) thermal network model with EnergyPlus augmented with GHEDesigner modules. The RC model generated feasible heat flux options under three operating modes, and EnergyPlus predicted sensible loads, energy use, and pump energy demand. At each simulation step, a supervisory control algorithm selected the optimal loop configuration and duty factor that maximizes useful TABE geothermal utilization without exceeding the predicted sensible load, thereby avoiding overheating or cooling. Case studies were conducted for Los Angeles, California, Charleston, South Carolina, and Denver, Colorado. Results showed that the proposed framework reduced HVAC electricity consumption by 43%–67%, natural gas use for space heating by 11%–38%, and peak electricity demand by 43%–88%. These results highlight the potential of combining reduced-order envelope modeling, direct geothermal coupling, and load-oriented supervisory control to improve whole building energy performance and reduce peak demand across diverse weather conditions.

Howard, Daniel [Southern Adventist University]↗
DOE OSTI2020

Impact of thermodynamic fluctuations and pattern size on the nucleation behavior during area selective deposition

In this work, the authors explore the impact that thermodynamic fluctuations have on the spontaneous appearance of defects during area selective deposition on patterned surfaces that are fully covered by adsorbates under local thermodynamic equilibrium, such as self-assembled monolayers. By using a simple lattice gas model for the adsorbed monolayer, the authors were able to track the spontaneous formation of defects in the monolayer as a function of the pattern width. The results indicate that, for pattern widths of the order of tens of nanometers, roughening effects at the pattern edge can be the leading source for the spontaneous appearance of nucleation defects. This leads to an enhancement of the density of defects that can be up to three orders of magnitude higher than those expected in uniform (not patterned) surfaces. The model also predicts a density of defects that is inversely proportional to the pattern width. Finally, if the dynamic nucleation of defects during area selective deposition is driven by thermodynamic fluctuations, the model predicts that the nucleation rate should be proportional to the total precursor fluency and independent of purge times. Moreover, a tight confinement of the monolayer through a high quality smooth interface in the patterned substrate and strong cohesive interactions between adsorbates should each contribute to a reduction of the overall defect density.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Solar Receiver with Integrated Thermal Storage for a Supercritical Carbon Dioxide Power Cycle

This project endeavors to design and demonstrate an integrated CSP system that meets the Department of Energy’s 6¢/kW-hr LCOE goal [1]. This design is based on the 10 MWe Supercritical Transformational Electric Power (STEP) engine specifications, but adaptable to any sCO 2 power module up to 10 MW e . The enabling technology to be tested is a new class of metal hydride based thermal energy storage materials which can store thermal energy in the hydrogen bonds between the metal hydride and hydrogen. This thermochemical energy storage solution provides a much greater energy density than sensible and latent energy storage enabling an integrated system design that closely linked the metal hydride to the power block. This allows the entire system to be mounted up tower to provide cost reductions. A novel metal hydride, capable of operating above 760 °C, was developed during the course of this project and thoroughly tested at a lab scale. The material’s hydrogen capacity, reaction enthalpy, thermal conductivity, and cyclic stability were measured. A demonstration test article was built that can store 2kWh of thermal energy and was coupled to Brayton Energy’s CO 2 loop where the performance of the metal hydride under commercial conditions was measured. An integrated model was created that uses the inputs from all the different sub-models in order to return an overall system LCOE using SAM. This project greatly advanced metal hydride based thermochemical energy storage technology and demonstrated its use. Previously there were no metal hydrides which were capable of operating at the proposed temperature limits (760°C), there is now a high temperature metal hydride with documented performance/stability and a path for low-cost production. Additionally, the metal hydride was tested at a scale >650x larger than what had previously been done in the lab. While not at commercial scale, it was an excellent demonstration of the technology and provided knowledge that can be leveraged for other applications.

08 HYDROGEN↗
DOE OSTI2020

Into the UV: A Precise Transmission Spectrum of HAT-P-41b Using Hubble’s WFC3/UVIS G280 Grism

The ultraviolet–visible wavelength range holds critical spectral diagnostics for the chemistry and physics at work in planetary atmospheres. To date, time-series studies of exoplanets to characterize their atmospheres have relied on several combinations of modes on the Hubble Space Telescope’s STIS/COS instruments to access this wavelength regime. Here for the first time, we apply the Hubble WFC3/UVIS G280 grism mode to obtain exoplanet spectroscopy from 200 to 800 nm in a single observation. We test the G280 grism mode on the hot Jupiter HAT-P-41b over two consecutive transits to determine its viability for the characterization of exoplanet atmospheres. We obtain a broadband transit depth precision of 29–33 ppm and a precision of on average 200 ppm in 10 nm spectroscopic bins. Spectral information from the G280 grism can be extracted from both the positive and negative first-order spectra, resulting in a 60% increase in the measurable flux. Additionally, the first Hubble Space Telescope orbit can be fully utilized in the time-series analysis. We present detailed extraction and reduction methods for use by future investigations with this mode, testing multiple techniques. We find the results to be fully consistent with STIS measurements of HAT-P-41b from 310 to 800 nm, with the G280 results representing a more observationally efficient and precise spectrum. HAT-P-41b’s transmission spectrum is best fit with a model with T {sub eq} = 2091 K, high metallicity, and significant scattering and cloud opacity. With these first-of-their-kind observations, we demonstrate that WFC3/UVIS G280 is a powerful new tool to obtain UV–optical spectra of exoplanet atmospheres, adding to the UV legacy of Hubble and complementing future observations with the James Webb Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

All-multiplicity one-loop amplitudes in Born-Infeld electrodynamics from generalized unitarity

We initiate a study of non-supersymmetric Born-Infeld electrodynamics in 4d at the quantum level. Explicit all-multiplicity expressions are calculated for the purely rational one-loop amplitudes in the self-dual (+ + … +) and next-to-self-dual (- + … +) helicity sectors. Using a supersymmetric decomposition, d-dimensional unitarity cuts of the integrand factorize into tree-amplitudes in a 4d model of Born-Infeld photons coupled to a massive complex scalar. The two-scalar tree-amplitudes needed to construct the Born-Infeld integrand are computed using two complimentary approaches: (1) as a double-copy of Yang-Mills coupled to a massive adjoint scalar with a dimensionally reduced form of Chiral Perturbation Theory, and (2) by imposing consistency with low-energy theorems under a reduction from 4d to 3d and T-duality. The Born-Infeld integrand is integrated in d = 4 - 2ϵ dimensions at order Ο(ϵ 0 ) using the dimension-shifting formalism. We comment on the implications for electromagnetic duality in quantum Born-Infeld theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗