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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 217 records · Page 12

Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN

Transition-metal centers exhibit a paramagnetic ground state in wide-bandgap semiconductors and are promising for nanophotonics and quantum information processing. Specifically, there is a growing interest in discovering prominent paramagnetic spin defects that can be manipulated using optical methods. Here, we investigate the electronic structure and magneto-optical properties of Cr and Mn substitutional centers in wurtzite AlN and GaN. We use state-of-the-art hybrid density functional theory calculations to determine level structure, stability, optical signatures, and magnetic properties of these centers. The excitation energies are calculated using the constrained occupation approach and rigorously verified with the complete active space configuration interaction approach. Our simulations of the photoluminescence spectra indicate that $Cr$$^{1+}_{Al}$ in AlN and $Cr$$^{1+}_{Ga}$ in GaN are responsible for the observed narrow quantum emission near 1.2 eV. We compute the zero-field splitting (ZFS) parameters and outline an optical spin polarization protocol for $Cr$$^{1+}_{Al}$ and $Cr$$^{1+}_{Ga}$. Our results demonstrate that these centers are promising candidates for spin qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computing Fault Displacements from Surface Deformations

Simplex is a computer program that calculates locations and displacements of subterranean faults from data on Earth-surface deformations. The calculation involves inversion of a forward model (given a point source representing a fault, a forward model calculates the surface deformations) for displacements, and strains caused by a fault located in isotropic, elastic half-space. The inversion involves the use of nonlinear, multiparameter estimation techniques. The input surface-deformation data can be in multiple formats, with absolute or differential positioning. The input data can be derived from multiple sources, including interferometric synthetic-aperture radar, the Global Positioning System, and strain meters. Parameters can be constrained or free. Estimates can be calculated for single or multiple faults. Estimates of parameters are accompanied by reports of their covariances and uncertainties. Simplex has been tested extensively against forward models and against other means of inverting geodetic data and seismic observations. This work

Lyzenga, Gregory↗

Spatially-Explicit Monitoring of Crop Photosynthetic Capacity Through the Use of Space-Based Chlorophyll Fluorescence Data

Plant functional traits such as photosynthetic capacity are critical parameters for terrestrial biosphere models. However, their spatial and temporal characteristics are still poorly represented. In this study, we used satellite observations of sun-induced fluorescence (SIF) to estimate top-of-canopy photosynthetic capacity (maximum carboxylation rate, V(sub cmax) at a reference temperature of 25 deg C) for crops, which was in turn utilized to simulate regional gross primary production (GPP). We first estimate the key parameter, V(sub cmax), in the widely-used FvCB photosynthesis model using field measurements of CO2 and water fluxes during 2007-2012 at seven crop eddy covariance flux sites over the US Corn Belt. The results showed that satellite far-red SIF retrievals have a stronger link to V(sub cmax) at the seasonal scale (R(squared)=0.70 for C4 and R(squared)=0.63 for C3 crop) as compared with widely-used vegetation indices. We calibrate an empirical model linking V(sub cmax) with SIF that was used to estimate spatially and temporally varying crop V(sub cmax) for the US Corn Belt region. The resulting V(sub cmax) maps are used together with meteorological data from MERRA reanalysis data and vegetation structural parameters derived from the satellite- based spectral reflectance data to constrain the Soil-Canopy Observation of Photosynthesis and Energy (SCOPE) balance model in order to estimate regional crop GPP. Our results show a substantial improvement in the seasonal and spatial patterns of cropland GPP when compared with crop yield inventory data. The evaluation with tall tower atmospheric CO2 measurements further supports our estimation of spatiotemporal V(sub cmax) from space-borne SIF. Considering that SIF has a direct link to photosynthetic activity, our findings highlight the potential to infer regional V(sub cmax) using remotely sensed SIF data and to use this information for a better quantification of regional cropland carbon cycles.

Drought↗

A forecast for large-scale structure constraints on Horndeski gravity with CO line intensity mapping

Here we consider the potential for line intensity mapping (LIM) of the rotational CO(1-0), CO(2-1), and CO(3-2) transitions to detect deviations from General Relativity from 0 < z < 3 within the framework of a very general class of modified gravity models, called Horndeski’s theories. Our forecast assumes a multitracer analysis separately obtaining information from the matter power spectrum and the first two multipoles of the redshift space distortion power spectrum. To achieve ±0.1 level constraints on the slope of the kinetic gravity braiding and Planck mass evolution parameters, a mm-wave LIM experiment would need to accumulate ≈10 8 –10 9 spectrometre-hours, feasible with instruments that could be deployed in the 2030s. Such a measurement would constrain the parameters of Horndeski’s theory at a level at worst competitive to and at best an order of magnitude tighter than existing constraints from the CMB and LSS. Our modelling code is publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

The Sonora Substellar Atmosphere Models. II. Cholla: A Grid of Cloud-free, Solar Metallicity Models in Chemical Disequilibrium for the JWST Era

Exoplanet and brown dwarf atmospheres commonly show signs of disequilibrium chemistry. In the James Webb Space Telescope (JWST) era, high-resolution spectra of directly imaged exoplanets will allow the characterization of their atmospheres in more detail, and allow systematic tests for the presence of chemical species that deviate from thermochemical equilibrium in these atmospheres. Constraining the presence of disequilibrium chemistry in these atmospheres as a function of parameters such as their effective temperature and surface gravity will allow us to place better constraints on the physics governing these atmospheres. This paper is part of a series of works presenting the Sonora grid of atmosphere models. In this paper, we present a grid of cloud-free, solar metallicity atmospheres for brown dwarfs and wide-separation giant planets with key molecular species such as CH 4 , H 2 O, CO, and NH 3 in disequilibrium. Our grid covers atmospheres with T eff ∈ [500 K, 1300 K], log g ∈ [3.0, 5.5] (cgs) and an eddy diffusion parameter of logK zz = 2,4 and 7 (cgs). We study the effect of different parameters within the grid on the temperature and composition profiles of our atmospheres. We discuss their effect on the near-infrared colors of our model atmospheres and the detectability of CH 4 , H 2 O, CO, and NH 3 using the JWST. We compare our models against existing MKO and Spitzer observations of brown dwarfs and verify the importance of disequilibrium chemistry for T dwarf atmospheres. Finally, we discuss how our models can help constrain the vertical structure and chemical composition of these atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Modelling and Analysis of a Regenerative Fuel Cell Propulsion System for a High Altitude Long Endurance UAV

In the search to bridge current gaps in surveillance and communication technologies, a new type of, aircraft is currently undergoing design. The idea of a High Altitude Long Endurance (HALE) aircraft is already a few decades old, but has only recently become realizable. A relay and collector of information at altitudes of 65,000 feet and higher could greatly improve standards of data exchange, homeland security, and research of the air, land and sea. NASA, as a major force in propulsion research, is exploring methods of powering an autonomous aircraft for days, weeks, or even months without refueling. Such a task requires not only high energy density, but also the ability to make use of renewable energy sources to regenerate power. Hydrogen is one of the most energy dense fuels available. Fuel cells make use of hydrogen by harnessing the energy released as it combines with oxygen to produce electricity and water. Fuel cells are envisioned to occupy future propulsion systems in cooperation with solar cells where the photovoltaic arrays harness sunlight into power which can electrolize the water byproduct into reusable hydrogen and oxygen. Modeling this type of system requires adequate assumptions of support hardware and daily transients in operation. The performance of a regenerative fuel cell propulsion system lies in the flight characteristics (altitude, density, temperature, latitude, etc.). Each subsystem is defined by many parameters which can be varied across wide ranges. Statistical and probabilistic analyses bring forward a wealth of information that can be utilized in the design process. This is necessary since the required technologies are relatively young and barely, if yet, capable. Once the modeling is complete, a design space exploration of this highly constrained scenario can be utilized to find the optimal design. The model will become an interactive environment with which experiments and tests can be run. When linked

Simpson, Mike B.↗

Effects of Optimisation Parameters on Data-Driven Magnetofrictional Modelling of Active Regions

Context . The solar magnetic field plays an essential role in the formation, evolution, and dynamics of large-scale eruptive structures in the corona. The estimation of the coronal magnetic field, the ultimate driver of space weather, particularly in the ‘low’ and ‘middle’ corona, is presently limited due to practical difficulties. Data-driven time-dependent magnetofrictional modelling (TMFM) of active region magnetic fields has been proven to be a useful tool to study the corona. The input to the model is the photospheric electric field that is inverted from a time series of the photospheric magnetic field. Constraining the complete electric field, that is, including the non-inductive component, is critical for capturing the eruption dynamics. We present a detailed study of the effects of optimisation of the non-inductive electric field on the TMFM of AR 12473. Aims . We aim to study the effects of varying the non-inductive electric field on the data-driven coronal simulations, for two alternative parametrisations. By varying parameters controlling the strength of the non-inductive electric field, we wish to explore the changes in flux rope formation and their early evolution and other parameters, for instance, axial flux and magnetic field magnitude. Methods . We used the high temporal and spatial resolution cadence vector magnetograms from the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO). The non-inductive electric field component in the photosphere is critical for energising and introducing twist to the coronal magnetic field, thereby allowing unstable configurations to be formed. We estimated this component using an approach based on optimising the injection of magnetic energy. Results . Our data show that flux ropes are formed in all of the simulations except for those with the lower values of these optimised parameters. However, the flux rope formation, evolution and eruption time varies depending on the values of the optimisation parameters. The flux rope is formed and has overall similar evolution and properties with a large range of non-inductive electric fields needed to determine the non-inductive electric field component that is critical for energising and introducing twist to the coronal magnetic field. Conclusions . This study shows that irrespective of non-inductive electric field values, flux ropes are formed and erupted, which indicates that data-driven TMFM can be used to estimate flux rope properties early in their evolution without needing to employ a lengthy optimisation process.

A. Kumari↗

Impact of recent updates to neutrino oscillation parameters on the effective Majorana neutrino mass in 0 ν β β decay

We investigate how recent updates to neutrino oscillation parameters and the sum of neutrino masses influence the sensitivity of neutrinoless double-beta ( 0 ν β β ) decay experiments. Incorporating the latest cosmological constraints on the sum of neutrino masses and laboratory measurements on oscillations, we determine the sum of neutrino masses for both the normal hierarchy (NH) and the inverted hierarchy (IH). Our analysis reveals a narrow range for the sum of neutrino masses, approximately 0.06 eV / c 2 for NH and 0.102 eV / c 2 for IH. Utilizing these constraints, we calculate the effective Majorana masses for both NH and IH scenarios, establishing the corresponding allowed regions. Importantly, we find that the minimum neutrino mass is nonzero, as constrained by the current oscillation parameters. Additionally, we estimate the half-life of 0 ν β β decay using these effective Majorana masses for both NH and IH. Our results suggest that upcoming ton-scale experiments will comprehensively explore the IH scenario, while 100-ton-scale experiments will effectively probe the parameter space for the NH scenario, provided the background index can achieve 1 event/kton-year in the region of interest. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Optimization of Energy Storage System Economics and Controls by Incorporating Battery Degradation Costs in REopt

The use of stationary electrochemical energy storage systems utilizing lithium-ion batteries has increased rapidly as the production scale and price for lithium-ion batteries has decreased. These energy storage systems are crucial for maintaining grid resiliency, especially for grids operating with high penetration of renewable energy generation assets or for with a variety of distributed energy generation and storage systems. One challenging factor for the development of battery energy storage systems is estimating the proper sizing, in terms of both power and energy, that minimizes total costs over the lifetime of the systems; this calculation is difficult in simple cases, where a battery is costed independently, but is extremely challenging when building loads and electrical generation by photovoltaic resources are also considered. REopt is a techoeconomic optimization tool developed by NREL to address these challenges. Previously, battery degradation has been priced by simply assuming a 10-year replacement schedule for battery systems. However, this does not account for varying degradation trends observed across real-world batteries, or allow for batteries to be operated in a degradation-aware manner that optimizes battery dispatch based on operating costs. This work incorporates a battery life model into REopt. This battery life model is simple, so that it may be solvable within the constrains of a mixed-integer linear optimization problem, but is fit to accelerated aging data recorded in the lab. To achieve the best possible accuracy for lifetime estimates given these constraints, parameters for the battery life model in REopt are estimated by fitting 20-year simulations of battery life after identifying state-space battery degradation model from accelerated aging data. Comparisons of battery life predicted in REopt and from the state-space battery degradation model to ensure validity of lifetime estimates made by REopt. Battery life and cost is optimized by controlling three decision to minimize system life cost: battery sizing, daily state-of-charge, and daily energy-throughput. The cost of battery degradation as a function of these control variables is then estimated assuming two possible maintenance strategies: replacement, where the entire battery system is replaced if cell reach an end-of-life capacity threshold; and augmentation, which establishes a fund to pay for continual purchase of new batteries to maintain the initial energy capacity of the system. These two strategies offer conservative (for replacement) and optimistic (for augmentation) bounds for total system cost. The degradation cost incurred by these strategies is then used to control battery dispatch decisions, operating the battery in a degradation-aware manner that maximizes battery lifetime while also providing energy when favorable. Because the mixed-integer linear program has perfect foresight of future energy needs, batteries with degradation costs are always operated using 'just-in-time' charging, which is unrealistic, as no energy is left in the storage system to perform other energy services or to serve as emergency back-up power. To combat this, an inequality constraint on the average annual state-of-charge is imposed, and the sensitivity of system cost to average stored energy, e.g., the cost of system resiliency, can be quantified. Analysis of results has several conclusions, for instance, oversizing of battery storage systems is not a cost burden when battery storage is an optimal solution, as any additional battery capacity can simply be utilized to avoid costs of purchasing energy from a utility.

battery↗

A Comparison of Rest-frame Ultraviolet and Optical Emission-Line Diagnostics in the Lensed Galaxy SDSS J1723+3411 at Redshift z = 1.3293

For the extremely bright lensed galaxy SDSS J1723+3411 at z = 1.3293, we analyze spatially integrated MMT, Keck, and Hubble Space Telescope spectra that fully cover the rest-frame wavelength range of 1400 ̊A to 7200 ̊A. We also analyze near-IR spectra from Gemini that cover Hαfor a portion of the lensed arc. We report fluxes for 42 detected emission lines, and upper limits for an additional22. This galaxy has extreme emission line ratios and high equivalent widths that are characteristic of extreme emission-line galaxies. We compute strong emission line diagnostics from both the rest-frame optical and rest-frame ultraviolet (UV), to constrain physical conditions and test the spectral diagnostics themselves. We tightly determine the nebular physical conditions using the most reliable diagnostics, and then compare to results from other diagnostics. We find disappointing performance from the UV–only diagnostics: they either are unable to measure the metallicity or dramatically under-estimate it; they over-estimate the pressure; and the UV diagnostic of ionization parameter has a strong metallicity dependence in this regime. Based on these results, we suggest that upcoming James Webb Space Telescope(JWST) spectroscopic surveys of galaxies in the reionization epoch should invest the additional integration time to capture the optical [O II] and [O III] emission lines, and not rely solely on the rest-frame UV emission lines. We make available the spectra; they represent one of the highest-quality emission line spectral atlases of star-forming galaxy available beyond the local universe, and will aid planning observations with JWST.

galaxies↗

Overview of NASA's Carbon Monitoring System Flux-Pilot Project

NASA's space-based observations of physical, chemical and biological parameters in the Earth System along with state-of-the-art modeling capabilities provide unique capabilities for analyses of the carbon cycle. The Carbon Monitoring System is developing an exploratory framework for detecting carbon in the environment and its changes, with a view towards contributing to national and international monitoring activities. The Flux-Pilot Project aims to provide a unified view of land-atmosphere and ocean-atmosphere carbon exchange, using observation-constrained models. Central to the project is the application of NASA's satellite observations (especially MODIS), the ACOS retrievals of the JAXA-GOSAT observations, and the "MERRA" meteorological reanalysis produced with GEOS-S. With a primary objective of estimating uncertainty in computed fluxes, two land- and two ocean-systems are run for 2009-2010 and compared with existing flux estimates. An transport model is used to evaluate simulated CO2 concentrations with in-situ and space-based observations, in order to assess the realism of the fluxes and how uncertainties in fluxes propagate into atmospheric concentrations that can be more readily evaluated. Finally, the atmospheric partial CO2 columns observed from space are inverted to give new estimates of surface fluxes, which are evaluated using the bottom-up estimates and independent datasets. The focus of this presentation will be on the science goals and current achievements of the pilot project, with emphasis on how policy-relevant questions help focus the scientific direction. Examples include the issue of what spatio-temporal resolution of fluxes can be detected from polar-orbiting satellites and whether it is possible to use space-based observations to separate contributions to atmospheric concentrations of (say) fossil-fuel and biological activity

Pawson, Steven↗

Constraining accuracy of the pairwise velocities in N -body simulations using scale-free models

We present a continuation of an analysis that aims to quantify resolution of N-body simulations by exploiting large (up to N = 4096 3 ) simulations of scale-free cosmologies run using abacus. Here, we focus on radial pairwise velocities of the matter field, both by direct estimation and through the cumulative two-point correlation function (using the pair conservation equation). We find that convergence at the 1 per cent level of the mean relative pairwise velocity can be demonstrated over a range of scales, evolving from a few times the grid spacing at early times to slightly below this scale at late times. We show the analysis of two different box sizes as well as from averaging results from the smaller boxes, and compare the power of the two aforementioned estimators in constraining accuracy at each scale. Down to scales of the order of the smoothing parameter, convergence is obtained at ∼5 per cent precision, and shows a behaviour indicating asymptotic stable clustering. In conclusion, we also infer for LCDM simulations conservative estimates on the evolution of the lower cut-off to resolution (at 1 and 5 per cent precision) as a function of redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

Direct Detection of Hawking Radiation from Asteroid-Mass Primordial Black Holes

We discuss light, asteroid-mass primordial black holes, with lifetimes in the range between hundreds to several millions times the age of the Universe, are well-motivated candidates for the cosmological dark matter. Using archival COMPTEL data, we improve over current constraints on the allowed parameter space of primordial black holes as dark matter by studying their evaporation to soft gamma rays in nearby astrophysical structures. We point out that a new generation of proposed MeV gamma-ray telescopes will offer the unique opportunity to directly detect Hawking evaporation from observations of nearby dark matter dense regions and to constrain, or discover, the primordial black hole dark matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Digital robust active control law synthesis for large order flexible structure using parameter optimization

A generic procedure for the parameter optimization of a digital control law for a large-order flexible flight vehicle or large space structure modeled as a sampled data system is presented. A linear quadratic Guassian type cost function was minimized, while satisfying a set of constraints on the steady-state rms values of selected design responses, using a constrained optimization technique to meet multiple design requirements. Analytical expressions for the gradients of the cost function and the design constraints on mean square responses with respect to the control law design variables are presented.

Mukhopadhyay, V.↗

Qualitative simulation for process modeling and control

A qualitative model is developed for a first-order system with a proportional-integral controller without precise knowledge of the process or controller parameters. Simulation of the qualitative model yields all of the solutions to the system equations. In developing the qualitative model, a necessary condition for the occurrence of oscillatory behavior is identified. Initializations that cannot exhibit oscillatory behavior produce a finite set of behaviors. When the phase-space behavior of the oscillatory behavior is properly constrained, these initializations produce an infinite but comprehensible set of asymptotically stable behaviors. While the predictions include all possible behaviors of the real system, a class of spurious behaviors has been identified. When limited numerical information is included in the model, the number of predictions is significantly reduced.

Dalle Molle, D. T.↗

Obtaining the Grobner Initialization for the Ground Flash Fraction Retrieval Algorithm

At optical wavelengths and from the vantage point of space, the multiple scattering cloud medium obscures one's view and prevents one from easily determining what flashes strike the ground. However, recent investigations have made some progress examining the (easier, but still difficult) problem of estimating the ground flash fraction in a set of N flashes observed from space In the study by Koshak, a Bayesian inversion method was introduced for retrieving the fraction of ground flashes in a set of flashes observed from a (low earth orbiting or geostationary) satellite lightning imager. The method employed a constrained mixed exponential distribution model to describe the lightning optical measurements. To obtain the optimum model parameters, a scalar function of three variables (one of which is the ground flash fraction) was minimized by a numerical method. This method has formed the basis of a Ground Flash Fraction Retrieval Algorithm (GoFFRA) that is being tested as part of GOES-R GLM risk reduction.

Solakiewicz, R.↗

Bounds on Lorentz Invariance Violation from Muon Fluctuations at the Pierre Auger Observatory

Quantum gravity theories often modify spacetime symmetries. In particular, Lorentz invariance may be violated when approaching the Planck scale. Although the scales at which interactions occur in extensive air showers induced by ultra-high-energy cosmic rays in the atmosphere are many orders of magnitude below the Planck scale, these violations might still be observable. In this Letter, the fluctuations in the number of muons in the extensive air showers measured at the Pierre Auger Observatory are exploited, for the first time, to constrain Lorentz invariance violations. The bounds derived in the hadronic sector are the strongest ever obtained, and do not rely on assumptions about the mass composition of ultra-high-energy cosmic rays. The fluctuations in the number of muons constitute a new and powerful observable to further explore Lorentz invariance in a region of the parameter space not accessible to other observables.

Abdul Halim, A. [Adelaide U.] (ORCID:0000000312181↗

Nonlinear programming extensions to rational function approximations of unsteady aerodynamics

This paper deals with approximating unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft. Two methods of formulating these approximations are extended to include both the same flexibility in constraining them and the same methodology in optimizing nonlinear parameters as another currently used 'extended least-squares' method. Optimal selection of 'nonlinear' parameters is made in each of the three methods by use of the same nonlinear (nongradient) optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is of lower order than that required when no optimization of the nonlinear terms is performed. The free 'linear' parameters are determined using least-squares matrix techniques on a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from the different approaches are described, and results are presented which show comparative evaluations from application of each of the extended methods to a numerical example. The results obtained for the example problem show a significant (up to 63 percent) reduction in the number of differential equations used to represent the unsteady aerodynamic forces in linear time-invariant equations of motion as compared to a conventional method in which nonlinear terms are not optimized.

Tiffany, Sherwood H.↗