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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The use of double-mode RR Lyrae stars as robust distance and metallicity indicators

Abstract RR Lyrae stars are one of the primary distance indicators for old stellar populations such as globular clusters, dwarf galaxies and galaxies. Typically, fundamental-mode RR Lyr stars are used for distance measurements, and their accuracy is strongly limited by the dependence of absolute magnitudes on metallicity, in both the optical and infrared bands. Here, we report the discovery of a period–(period ratio)–metallicity relation for double-mode RR Lyr stars, which can predict metallicity as accurately as the low-resolution spectra. With theoretical and observational evidence, we propose that the period–luminosity relation of double-mode RR Lyr stars is not affected by the metallicity. Combining the Large Magellanic Cloud distance and Gaia parallaxes, we calibrate the zero point of the period–luminosity relation to an error of 0.022 mag, which means that in the best case double-mode RR Lyr stars can anchor galaxy distances to an accuracy of 1.0%. For four globular clusters and two dwarf galaxies, we obtain distances using double-mode RR Lyr stars with a distance accuracy of 2–3% and 1–2%, respectively. With future telescopes such as the China Space Station Telescope and the Vera C. Rubin Observatory, double-mode RR Lyr stars will be established as an independent distance ladder in the near-field universe.

Astronomy & Astrophysics↗
DOE OSTI2020

Coherent high-power RF wakefield generation by electron bunch trains in a metamaterial structure

In this paper, we present an experimental study of coherent high-power wakefield generation in a metamaterial (MTM) structure at 11.7 GHz by 65 MeV electron bunch trains at the Argonne Wakefield Accelerator (AWA), following a previous experiment, the Stage-I experiment, at the AWA. Both the Stage-II experiment, reported in this paper, and the Stage-I experiment were conducted using MTM structures, which are all-metal periodic structures with the period being much smaller than the wavelength. Differences between the two experiments include (1) structure length (Stage-I 8 cm and Stage-II 20 cm); (2) number of bunches used to excite the structure (Stage-I with two bunches, up to 85 nC of total charge; Stage-II with eight bunches, up to 224 nC of total charge); and (3) highest peak power measured (Stage-I 80 MW in a 2 ns pulse and Stage-II 380 MW in a 10 ns pulse). High-power radio frequency pulses were generated by reversed Cherenkov radiation of the electron beam due to the negative group velocity in the MTM structures. Because the radiation is coherent, a train of bunches with a proper spacing can build up to achieve a high peak power. The observed output power levels are very promising for future applications in direct collinear wakefield acceleration or in transfer to a second accelerator for two-beam acceleration.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Guiding the design of oxidation-resistant Fe-based single atom alloy catalysts with insights from configurational space

The high activity and selectivity of Fe-based heterogeneous catalysts toward a variety of reactions that require the breaking of strong bonds are offset in large part by their considerable instability with respect to oxidative deactivation. While it has been shown that the stability of Fe catalysts is considerably enhanced by alloying them with precious metals (even at the single-atom limit), rational design criteria for choosing such secondary metals are still missing. Since oxidative deactivation occurs due to the strong binding of oxygen to Fe and reduction by adsorbed hydrogen mitigates the deactivation, we propose here to use the binding affinity of oxygen and hydrogen adatoms as the basis for rational design. As it would also be beneficial to use cheaper secondary metals, we have scanned over a large subset of 3d–5d mid-to late transition metal single atoms and computationally determined their effect on the oxygen and hydrogen adlayer binding as a function of chemical potential and adsorbate coverage. We further determine the underlying chemical origins that are responsible for these effects and connect them to experimentally tunable quantities. Our results reveal a reliable periodic trend wherein oxygen binding is weakened greatest as one moves right and down the periodic table. Hydrogen binding shows the same trend only at high (but relevant) coverages and otherwise tends to have its binding slightly increased in all systems. Trends with secondary metal coverage are also uncovered and connected to experimentally tunable parameters.

Hensley, Alyssa↗
DOE OSTI2022

Resonant alpha particle loss in stellarators

Particle resonances in stellarators can produce islands in the space of passing particle orbits without the presence of an unstable Alfven mode, provided the period of the resonance matches the period of the equilibrium magnetic field. In this case, the equilibrium itself plays the role of a mode amplitude, and the islands appear on surfaces where the orbital helicity matches the field period. At low energy, these surfaces are given by the field line helicity, but at higher energy, cross field drift causes them to move. The resonances are also felt by trapped particles bouncing back and forth on surfaces with matching helicity. The periodic variation of B along these orbits produces local wells, giving loss due to drift while trapped in a well. Stellarator designs that have equilibrium-induced resonance islands exhibit anomalous alpha particle loss and are unsuitable for reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Introducing the embedded random phase approximation: H 2 dissociative adsorption on Cu(111) as an exemplar

The random phase approximation (RPA) as a means of treating electron correlation recently has been shown to outperform standard density functional theory (DFT) approximations in a variety of cases. However, the computational cost of the RPA is substantially more than DFT, especially when aiming to study extended surfaces. Properly accounting for sufficient surface ensemble size, Brillouin zone sampling, and vacuum separation of periodic images in standard periodic-planewave-based DFT code raises the cost to achieve converged results. Here, we show that sub-system embedding schemes enable use of the RPA for modeling heterogeneous reactions at reduced computational cost. Further, we explore two different embedded RPA (emb-RPA) approaches, periodic emb-RPA and cluster emb-RPA. We use the (experimentally and theoretically) well-studied H 2 dissociative adsorption on Cu(111) as our exemplar, and first perform full periodic RPA calculations as a benchmark. The full RPA results match well the semi-empirical barrier fit to experimental observables and others derived from high-level computations, e.g., from recent embedded n-electron valence second order perturbation theory [Zhao et al., J. Chem. Theory Comput. 16(11), 7078–7088 (2020)] and quantum Monte Carlo [Doblhoff-Dier et al., J. Chem. Theory Comput. 13(7), 3208–3219 (2017)] simulations. Among the two emb-RPA approaches tested, the cluster emb-RPA accurately reproduces the energy profile (maximum error of 50 meV along the reaction pathway) while reducing the computational cost by approximately two orders of magnitude. We therefore expect that the embedded cluster approach will enable wider RPA implementation in heterogeneous catalysis.

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

Improving gas adsorption modeling for MOFs by local calibration of Hubbard U parameters

While computational screening with density functional theory (DFT) is frequently employed for the screening of metal–organic frameworks (MOFs) for gas separation and storage, commonly applied generalized gradient approximations (GGAs) exhibit self-interaction errors, which hinder the predictions of adsorption energies. We investigate the Hubbard U parameter to augment DFT calculations for full periodic MOFs, targeting a more precise modeling of gas molecule–MOF interactions, specifically for N2, CO2, and O2. We introduce a calibration scheme for the U parameter, which is tailored for each MOF, by leveraging higher-level calculations on the secondary building unit (SBU) of the MOF. When applied to the full periodic MOF, the U parameter calibrated against hybrid HSE06 calculations of SBUs successfully reproduces hybrid-quality calculations of the adsorption energy of the periodic MOF. The mean absolute deviation of adsorption energies reduces from 0.13 eV for a standard GGA treatment to 0.06 eV with the calibrated U, demonstrating the utility of the calibration procedure when applied to the full MOF structure. Furthermore, attempting to use coupled cluster singles and doubles with perturbative triples calculations of isolated SBUs for this calibration procedure shows varying degrees of success in predicting the experimental heat of adsorption. It improves accuracy for N2 adsorption for cases of overbinding, whereas its impact on CO2 is minimal, and ambiguities in spin state assignment hinder consistent improvements of O2 adsorption. Our findings emphasize the limitations of cluster models and advocate the use of full periodic MOF systems with a calibrated U parameter, providing a more comprehensive understanding of gas adsorption in MOFs.

Chemistry↗
DOE OSTI2021

Beam modulation and bump-on-tail effects on Alfvén eigenmode stability in DIII-D

Beam modulation effects on Alfvén eigenmode stability have been investigated in a recent DIII-D experiment and show that variations in neutral beam modulation period can have an impact on the beam driven Alfvén eigenmode spectrum and resultant fast ion transport despite similar time-averaged input power. The experiment was carried out during the current ramp phase of L-mode discharges heated with sub-Alfvénic 50–80 kV deuterium neutral beams that drive a variety of Alfvén eigenmodes unstable. The modulation period of two interleaved beams with different tangency radii was varied from shot to shot in order to modify the relative time dependent mix of the beam pitch angle distribution as well as the persistence of a bump-on-tail feature near the injection energy (a feature confirmed by imaging neutral particle analyzer measurements). As the beam modulation period is varied from 7 ms to 30 ms on/off (typical full energy slowing down time of τ slow ≈ 50 ms at mid-radius), toroidicity-induced Alfvén eigenmodes (TAEs) located in the outer periphery of the plasma become intermittent and coincident with the more tangential beam. Core mode activity changes from reversed shear Alfvén eigenmodes (RSAEs) to a mix of RSAE and beta-induced Alfvén eigenmodes. Discharges with 30 ms on/off period do not have a persistent bump-on-tail feature, have the lowest average mode amplitude and least fast ion transport. Furthermore, detailed analysis of an individual TAE using TRANSP kick modeling (Monte Carlo evolution of the distribution function with probabilistic 'kicks' by the AEs) and the resistive MHD code with kinetic fast ions, MEGA, find no strong role of energy gradient drive due to bump-on-tail features. Instead, the observed TAE modulation with interleaved beams is likely a pitch angle dependent result combined with slowing down of the tangential beam between pulses. For the conditions investigated, bump-on-tail contributions to TAE drive were found to be 5% or less of the total drive at any given time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The economic and environmental costs and benefits of the renewable fuel standard

Abstract Mandates, like the renewable fuel standard (RFS), for biofuels from corn and cellulosic feedstocks, impact the environment in multiple ways by affecting land use, nitrogen (N)-leakage, and greenhouse gas (GHG) emissions. We analyze the differing trade-offs these different types of biofuels offer among these multi-dimensional environmental effects and convert them to a monetized value of environmental damages (or benefits) that can be compared with the economic costs of extending these mandates over the 2016–2030 period. The discounted values of cumulative net benefits (or costs) are then compared to those with a counterfactual level of biofuels that would have been produced in the absence of the RFS over this period. We find that maintaining the corn ethanol mandate at 56 billion l till 2030 will lead to a discounted cumulative value of an economic cost of $199 billion over the 2016–2030 period compared to the counterfactual scenario; this includes $109 billion of economic costs and $85 billion of net monetized environmental damages. The additional implementation of a cellulosic biofuel mandate for 60 billion l by 2030 will increase this economic cost by $69 billion which will be partly offset by the net discounted monetized value of environmental benefits of $20 billion, resulting in a net cost of $49 billion over the 2016–2030 period. We explore the sensitivity of these net (economic and environmental) costs to alternative values of the social costs of carbon and nitrogen and other technological and market parameters. We find that, unlike corn ethanol, cellulosic biofuels can result in positive net benefits if the monetary benefits of GHG mitigation are valued high and those of N-damages are not very high.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

TOI-431/HIP 26013: a super-Earth and a sub-Neptune transiting a bright, early K dwarf, with a third RV planet

ABSTRACT We present the bright (Vmag = 9.12), multiplanet system TOI-431, characterized with photometry and radial velocities (RVs). We estimate the stellar rotation period to be 30.5 ± 0.7 d using archival photometry and RVs. Transiting Exoplanet Survey Satellite (TESS) objects of Interest (TOI)-431 b is a super-Earth with a period of 0.49 d, a radius of 1.28 ± 0.04 R⊕, a mass of 3.07 ± 0.35 M⊕, and a density of 8.0 ± 1.0 g cm−3; TOI-431 d is a sub-Neptune with a period of 12.46 d, a radius of 3.29 ± 0.09 R⊕, a mass of $9.90^{+1.53}_{-1.49}$ M⊕, and a density of 1.36 ± 0.25 g cm−3. We find a third planet, TOI-431 c, in the High Accuracy Radial velocity Planet Searcher RV data, but it is not seen to transit in the TESS light curves. It has an Msin i of $2.83^{+0.41}_{-0.34}$ M⊕, and a period of 4.85 d. TOI-431 d likely has an extended atmosphere and is one of the most well-suited TESS discoveries for atmospheric characterization, while the super-Earth TOI-431 b may be a stripped core. These planets straddle the radius gap, presenting an interesting case-study for atmospheric evolution, and TOI-431 b is a prime TESS discovery for the study of rocky planet phase curves.

Osborn, Ares↗
DOE OSTI2024

Shapiro steps and stability of skyrmions interacting with alternating anisotropy under the influence of ac and dc drives

Here we use atomistic simulations to examine the sliding dynamics of a skyrmion in a two-dimensional system containing a periodic one-dimensional stripe pattern of variations between low and high values of the perpendicular magnetic anisotropy. The skyrmion changes in size as it crosses the interface between two anisotropy regions. On applying combined dc and ac driving in either parallel or perpendicular directions, we observe a wide variety of Shapiro steps, Shapiro spikes, and phase-locking phenomena. The phase-locked orbits have two-dimensional dynamics due to the gyrotropic or Magnus dynamics of the skyrmions and are distinct from the phase-locked orbits found for strictly overdamped systems. Along a given Shapiro step when the ac drive is perpendicular to the dc drive, the velocity parallel to the ac drive is locked while the velocity in the perpendicular direction increases with increasing drive to form Shapiro spikes. At the transition between adjacent Shapiro steps, the parallel velocity jumps up to the next step value, and the perpendicular velocity drops. The skyrmion Hall angle shows a series of spikes as a function of increasing dc drive, where the jumps correspond to the transition between different phase-locked steps. At high drives, the Shapiro steps and Shapiro spikes are lost. When both the ac and dc drives are parallel to the stripe periodicity direction, Shapiro steps appear, while if the dc drive is parallel to the stripe periodicity direction and the ac drive is perpendicular to the stripe periodicity, then there are only two locked phases, and the skyrmion motion consists of a combination of sliding along the interfaces between the two anisotropy values and jumping across the interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Influence of the Turing instability on the motion of domain boundaries

Turing's theory of pattern formation has provided crucial insights into the behavior of various biological, geographical, and chemical systems over the last few decades. Existing studies have focused on moving-boundary Turing systems for which the motion of the boundary is prescribed by an external agent. In this paper, we present an extension of this theory to a class of systems in which the front motion is governed by the physical processes that occur within the domain. Biological systems exhibiting apically dominant growth and corrosion of metals and alloys highlight some of the noteworthy examples of such systems. In this study, we characterize the nature of interaction between the moving front and the Turing-instability for both an activator-inhibitor and an activator-substrate model. Behavioral regimes of periodic, as well as nonperiodic (nonconstant), growth rates are obtained. Furthermore, the trends in the first show striking similarities with the cyclic-boundary-kinetics observed in experimental systems. In general, a stationary, periodic structure is also left behind the moving front. If the periodicity of the boundary kinetics agrees with the allowed range of the stable-periodic solutions, the pattern formed tends to persist. Lastly, it evolves to a nearby energy-minimum either by peak-splitting, peak-decay, or by settling down to a spatially homogeneous state.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Design Considerations of a Coordinative Demand Charge Mitigation Strategy

This paper presents a coordinative demand charge mitigation (DCM) strategy for reducing electricity consumption during system peak periods. Available DCM resources include batteries, diesel generators, controllable loads, and conservation voltage reduction. All resources are directly controlled by load serving entities. A mixed integer linear programming based energy management algorithm is developed to optimally coordinate of DCM resources considering the load payback effect. To better capture system peak periods, two different kinds of load forecast are used: the day-ahead load forecast and the peak-hour probability forecast. Five DCM strategies are compared for reconciling the discrepancy between the two forecasting results. The DCM strategies are tested using actual utility data. Simulation results show that the proposed algorithm can effectively mitigate the demand charge while preventing the system peak from being shifted to the payback hours. We also identify the diminishing return effect, which can help load serving entities optimize the size of their DCM resources.

Hu, Rongxing↗
DOE OSTI2021

Performance Comparison of Clipping Detection Techniques in AC Power Time Series

In this research, a variety of methods were developed to detect clipping periods in AC power time series. AC power data streams associated with 36 unique systems across the United States were collected, and data points representing clipping periods were manually labeled by experts. Using this data set for training and validation, novel logic-based and machine learning (ML) approaches were developed to classify time series values as clipping or non-clipping. These approaches were compared to the RdTools method for detecting clipping periods. The logic-based and ML XGBoost approaches achieved F-scores of 85.0 and 77.6, respectively, when cross-validated against the manually labeled data, as compared to the current RdTools approach (F-score of 56.4), indicating a significant improvement at detecting clipping periods. Additionally, the effects of each clipping filter when evaluating system degradation rates were assessed, using 31 unique systems across the United States. Results indicate that estimated system degradation rate can vary based on the type of clipping filter used, by up to 0.6% degradation rate for some cases.

clipping↗
DOE OSTI2021

Clear Sky Irradiance Year-to-Year Variations and Trends

Solar radiation data for seven SURFRAD stations for the period 1996-2018 show an increase in irradiance under clear skies over the period, but the increase was not constant and shorter periods may have even experienced decreases in irradiance. A popular implementation of a clear sky model provided modeled irradiances for comparison with the SURFRAD data under conditions screened for clear skies. The use of the clear sky model, which did not consider year-to-year variances in atmospheric turbidity, was found problematic for resolving small changes in irradiance important for determining PV system degradation over three or five years, but less problematic for a period of ten years.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2021

Pricing and Energy Trading in Peer-to-Peer Zero Marginal-Cost Microgrids

Efforts to utilize 100% renewable energy in community microgrids require new approaches to energy markets and transactions to efficiently address periods of scarce energy supply. In this paper we contribute to the promising approach of peer-to-peer (P2P) energy trading in two main ways: analysis of a centralized, welfare-maximizing economic dispatch that characterizes optimal price and allocations, and a novel P2P system for negotiating energy trades that yields physically feasible and at least weakly Pareto-optimal outcomes. Our main results are 1) that optimal pricing is insufficient to induce agents with batteries to take optimal actions, 2) a novel P2P algorithm to addresses this while keeping private information, 3) a formal proof that this algorithm converges to the centralized solution in the case of two agents negotiating for a single period, and 4) numerical simulations of the P2P algorithm performance with up to 10 agents and 24 periods that show it converges on average to total welfare within 0.1% of the social optimum in on the order of 10s to 100s of iterations, increasing with the number of agents, time periods, and total storage capacity.

batteries↗
DOE OSTI2021

IN-SERVICE INSPECTION OF EXTENDED DRY STORAGE OF SPENT NUCLEAR FUEL, PART I: CRAWLER TECHNOLOGY DEVELOPMENT

This paper describes development and demonstration of remote crawling systems to support periodic examinations of interim dry storage system (DSS) canisters for spent nuclear fuel in the USA. Specifically, this work relates to robotic crawler developments for “canister” based DSS systems which form the majority population of DSSs, in the USA, for interim storage of spent nuclear fuel. Consideration of potential degradation of the welded stainless-steel canister in these systems is required for continued usage in the period of extended operation (PEO) beyond their initial licensed or certified terms. Challenges associated with performing the periodic examinations are associated with physical access to the canister surface which is constrained due to narrow annulus spaces between the canister and the overpack, tortuous entry pathways, and high temperatures and radiation doses that can be damaging to materials and electronics. Motivations for performing periodic examinations and developing robotic crawlers for performing those examinations remotely will be presented and several activities to demonstrate robotic crawlers for different DSS systems are summarized.

nondestructive examination (NDE), Dry Cask Storage↗
DOE OSTI2022

Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA)

With their extensive coverage, marine low clouds greatly impact global climate. Presently, marine low clouds are poorly represented in global climate models, and the response of marine low clouds to changes in atmospheric greenhouse gases and aerosols remains the major source of uncertainty in climate simulations. The Eastern North Atlantic (ENA) is a region of persistent but diverse subtropical marine boundary layer clouds, whose albedo and precipitation are highly susceptible to perturbations in aerosol properties. In addition, the ENA is periodically impacted by continental aerosols, making it an excellent location to study the cloud condensation nuclei (CCN) budget in a remote marine region periodically perturbed by anthropogenic emissions, and to investigate the impacts of long-range transport of aerosols on remote marine clouds. The Aerosol and Cloud Experiments in Eastern North Atlantic (ACE-ENA) campaign was motivated by the need of comprehensive in-situ measurements for improving the understanding of marine boundary layer CCN budget, cloud and drizzle microphysics, and the impact of aerosol on marine low cloud and precipitation. The airborne deployments took place from June 21 to July 20, 2017 and January 15 to February 18, 2018 in the Azores. The flights were designed to maximize the synergy between in-situ airborne measurements and ongoing long-term observations at a ground site. Here we present measurements, observation strategy, meteorological conditions during the campaign, and preliminary findings. Lastly, we discuss future analyses and modeling studies that improve the understanding and representation of marine boundary layer aerosols, clouds, precipitation, and the interactions among them.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Projecting Future Energy Production from Operating Wind Farms in North America. Part I: Dynamical Downscaling

Abstract New simulations at 12-km grid spacing with the Weather and Research Forecasting (WRF) Model nested in the MPI Earth System Model (ESM) are used to quantify possible changes in wind power generation potential as a result of global warming. Annual capacity factors (CF; measures of electrical power production) computed by applying a power curve to hourly wind speeds at wind turbine hub height from this simulation are also used to illustrate the pitfalls in seeking to infer changes in wind power generation directly from low-spatial-resolution and time-averaged ESM output. WRF-derived CF are evaluated using observed daily CF from operating wind farms. The spatial correlation coefficient between modeled and observed mean CF is 0.65, and the root-mean-square error is 5.4 percentage points. Output from the MPI-WRF Model chain also captures some of the seasonal variability and the probability distribution of daily CF at operating wind farms. Projections of mean annual CF (CF A ) indicate no change to 2050 in the southern Great Plains and Northeast. Interannual variability of CF A increases in the Midwest, and CF A declines by up to 2 percentage points in the northern Great Plains. The probability of wind droughts (extended periods with anomalously low production) and wind bonus periods (high production) remains unchanged over most of the eastern United States. The probability of wind bonus periods exhibits some evidence of higher values over the Midwest in the 2040s, whereas the converse is true over the northern Great Plains. Significance Statement Wind energy is playing an increasingly important role in low-carbon-emission electricity generation. It is a “weather dependent” renewable energy source, and thus changes in the global atmosphere may cause changes in regional wind power production (PP) potential. We use PP data from operating wind farms to demonstrate that regional simulations exhibit skill in capturing actual power production. Projections to the middle of this century indicate that over most of North America east of the Rocky Mountains annual expected PP is largely unchanged, as is the probability of extended periods of anomalously high or low production. Any small declines in annual PP are of much smaller magnitude than changes due to technological innovation over the last two decades.

Meteorology & Atmospheric Sciences↗