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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Solar chromospheric modeling based on submillimeter limb brightness profile

A method of modeling the solar chromosphere is developed, based on submillimeter continuum observations of the solar limb. Submillimeter radiation from the solar limb emanates from the chromosphere in local thermodynamic equilibrium, making it an important chromospheric diagnostic. Also, the use of high-resolution limb profiles allows for atmospheric modeling independent of gravitational hydrostatic equilibrium. The chromospheric model is constructed to match high-resolution solar limb profiles at 30, 50, 100, and 200 microns, determined by an occultation of the solar limb observed from the Kuiper Airborne Observatory during the total solar eclipse of July 31, 1981. This matching is achieved by 'stretching' the solar model atmosphere of Vernazza, Avrett, and Loesser (1981) vertically out of hydrostatic equilibrium, while maintainingn its vertical temperature-optical depth profile.

Hermans, L. M.↗
DOE OSTI2022

Quantum algorithms from fluctuation theorems: Thermal-state preparation

Fluctuation theorems provide a correspondence between properties of quantum systems in thermal equilibrium and a work distribution arising in a non-equilibrium process that connects two quantum systems with Hamiltonians H 0 and H 1 = H 0 + V. Building upon these theorems, we present a quantum algorithm to prepare a purification of the thermal state of H 1 at inverse temperature β ≥ 0 starting from a purification of the thermal state of H 0 . The complexity of the quantum algorithm, given by the number of uses of certain unitaries, is $\mathcal{O}$ (e β(ΔA - w l )/2 ), where ΔA is the free-energy difference between H 1 and H 0 , and w l is a work cutoff that depends on the properties of the work distribution and the approximation error ϵ > 0. If the non-equilibrium process is trivial, this complexity is exponential i β∥V∥, where ∥V∥ is the spectral norm of V. This represents a significant improvement of prior quantum algorithms that have complexity exponential in β∥H 1 ∥ in the regime where ∥V∥$\ll$ ∥H 1 ∥. The dependence of the complexity in ϵ varies according to the structure of the quantum systems. It can be exponential in 1/ϵ in general, but we show it to be sublinear in 1/ϵ if H 0 and H 1 commute, or polynomial in 1/ϵ if H 0 and H 1 are local spin systems. The possibility of applying a unitary that drives the system out of equilibrium allows one to increase the value of w l and improve the complexity even further. To this end, we analyze the complexity for preparing the thermal state of the transverse field Ising model using different non-equilibrium unitary processes and see significant complexity improvements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Wind tunnel measurements of three-dimensional wakes of buildings

Measurements relevant to the effect of buildings on the low level atmospheric boundary layer are presented. A wind tunnel experiment was undertaken to determine the nature of the flow downstream from a gap between two transversely aligned, equal sized models of rectangular cross section. These building models were immersed in an equilibrium turbulent boundary layer which was developed on a smooth floor in a zero longitudinal pressure gradient. Measurements with an inclined (45 degree) hot-wire were made at key positions downstream of models arranged with a large, small, and no gap between them. Hot-wire theory is presented which enables computation of the three mean velocity components, U, V and W, as well as Reynolds stresses. These measurements permit understanding of the character of the wake downstream of laterally spaced buildings. Surface streamline patterns obtained by the oil film method were used to delineate the separation region to the rear of the buildings for a variety of spacings.

Logan, E., Jr.↗
DOE OSTI2025

Cloud Feedback Uncertainty in the Equatorial Pacific Across CMIP6 Models

Cloud feedback is the largest uncertainty in estimating Equilibrium Climate Sensitivity. In this study we focus on the equatorial Pacific, where CMIP6 model cloud feedback spread is notably large. Cloud radiative effects in this region are relevant for the global climate. Our findings show that models predict a consistent shift towards the ascent regime in response to El Nino-like sea surface warming. Models diverge in terms of the radiative impact due to differences in cloud characteristics in ascent and subsidence regimes. Using the observed relationship between circulation regime and cloud radiative effect, we find a reduction in the regional mean cloud feedback estimate from 0.77 to 0.22 W m -2 K -1 , though this does not substantially lessen the model spread in total feedback. Pathways to reduce this spread include: improving confidence in the regional ocean warming pattern, and using observations and models to understand cloud type and circulation interactions.

CMIP6↗
NASA NTRS2016

The Effects of Consistent Chemical Kinetics Calculations on the Pressure-Temperature Profiles and Emission Spectra of Hot Jupiters

In this work we investigate the impact of calculating non-equilibrium chemical abundances consistently with the temperature structure for the atmospheres of highly-irradiated, close-in gas giant exoplanets. Chemical kinetics models have been widely used in the literature to investigate the chemical compositions of hot Jupiter atmospheres which are expected to be driven away from chemical equilibrium via processes such as vertical mixing and photochemistry. All of these models have so far used pressure-temperature (P-T) profiles as fixed model input. This results in a decoupling of the chemistry from the radiative and thermal properties of the atmosphere, despite the fact that in nature they are intricately linked. We use a one-dimensional radiative-convective equilibrium model, ATMO, which includes a sophisticated chemistry scheme to calculate P-T profiles which are fully consistent with non-equilibrium chemical abundances, including vertical mixing and photochemistry. Our primary conclusion is that, in cases of strong chemical disequilibrium, consistent calculations can lead to differences in the P-T profile of up to 100 K compared to the P-T profile derived assuming chemical equilibrium. This temperature change can, in turn, have important consequences for the chemical abundances themselves as well as for the simulated emission spectra. In particular, we find that performing the chemical kinetics calculation consistently can reduce the overall impact of non-equilibrium chemistry on the observable emission spectrum of hot Jupiters. Simulated observations derived from non-consistent models could thus yield the wrong interpretation. We show that this behaviour is due to the non-consistent models violating the energy budget balance of the atmosphere.

planets and satellites↗
DOE OSTI2022

An energy-dependent electro-thermal response model of CUORE cryogenic calorimeter

The Cryogenic Underground Observatory for Rare Events (CUORE) is the most sensitive experiment searching for neutrinoless double-beta decay (0νββ) in 130 Te. CUORE uses a cryogenic array of 988 TeO 2 calorimeters operated at ~10 mK with a total mass of 741 kg. To further increase the sensitivity, the detector response must be well understood. Here, we present a non-linear thermal model for the CUORE experiment on a detector-by-detector basis. We have examined both equilibrium and dynamic electro-thermal models of detectors by numerically fitting non-linear differential equations to the detector data of a subset of CUORE channels which are well characterized and representative of all channels. Further, we demonstrate that the hot-electron effect and electric-field dependence of resistance in NTD-Ge thermistors alone are inadequate to describe our detectors' energy-dependent pulse shapes. We introduce an empirical second-order correction factor in the exponential temperature dependence of the thermistor, which produces excellent agreement with energy-dependent pulse shape data up to 6 MeV. We also present a noise analysis using the fitted thermal parameters and show that the intrinsic thermal noise is negligible compared to the observed noise for our detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu 14 and Au 20 Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

In view of the tremendous progress in atomically precise metal nanoclusters where electrochemical and optical energetics are routinely supported by computations to establish structure−function correlations, we explore the relationship between different protocols for measuring and computing band gaps of two distinct organic ligand-protected nanoclusters: [Cu 14 H 10 (MBN) 3 (PPh 3 ) 8 ] + and Au 20 (TBBT) 16 . Through UV/visible spectroscopy and differential pulse voltammetry, we measure optical and electrochemical band gaps in those systems. We then compare these experimentally determined gaps to HOMO−LUMO gaps, fundamental gaps, vertical excitation energies, and E o ox − E o red potentials computed using different density functional theory (DFT) or time-dependent DFT (TDDFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree−Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO−LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

Chemical calculations↗
NASA NTRS1979

Elementary analytic models of climate. 1: The mean global heat balance

Climate models based on global radiative equilibrium are normally so complicated that they require extensive computer codes to provide adequate accuracy. However, by simply modifying the concept of a gray atmosphere, a reasonably correct mean global temperature is obtained. This elementary model is then used to estimate the effects of changes in the abundances of minor infrared absorbers and changes in the solar constant or earth albedo. When applied to a Budyko-Sellers zonally averaged model, the quasi-gray model could give a physical basis for the latitude dependence of outgoing radiation and of opacity due to H2O vapor content. The latter effect constitutes an important positive feedback on surface temperature.

Chamberlain, J. W.↗
DOE OSTI2025

Introducing the SLICE Method for estimating pebble-bed reactor inventories at equilibrium operation with SCALE

This paper introduces the SCALE Leap-In method for Cores at Equilibrium (SLICE) for estimating pebble-bed reactor equilibrium core isotopic inventories using capabilities in the SCALE code system, requiring only a small computational cluster and a few days of computation. This method uses an iterative approach that relies on (1) a surrogate spectrum model that captures spatial and time-dependent spectral conditions, (2) a multi-pass model that captures the pebble’s evolving nuclide inventory as a function of location and time in the core, and (3) a full-core model that captures the core’s spatial neutron flux distribution. The SLICE approach is applied to a generic fluoride salt–cooled high-temperature reactor, demonstrating fuel inventory convergence through nuclide concentration inspection across iterations and comparisons for core realizations with varying discretizations. Results agree within ~5% with another state-of-the-art code, with differences attributed to input parameter or modeling assumption variations in the equilibrium generation methods.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Elevating zero dimensional global scaling predictions to self-consistent theory-based simulations

In this work, we have developed an innovative workflow, Stability, Transport, Equilibrium, and Pedestal (STEP)-zero-dimensional (0D), within the OMFIT integrated modeling framework. Through systematic validation against the International Tokamak Physics Activity global H-mode confinement database, we demonstrated that STEP-0D, on average, predicts the energy confinement time with a mean relative error of less than 19%. Moreover, this workflow showed promising potential in predicting plasmas for proposed fusion reactors such as the affordable, robust, compact (ARC) reactor, the European demonstration power plant (EU-DEMO), and the China fusion engineering test reactor (CFETR) indicating moderate H-factors between 0.9 and 1.2. STEP-0D allows theory-based prediction of tokamak scenarios, beginning with 0D quantities. The workflow initiates with the PRO-create module, generating physically consistent plasma profiles and equilibrium using the same 0D quantities as the IPB98(y,2) confinement scaling. This sets the starting point for the STEP module, which further iterates between theory-based physics models of equilibrium, core transport, and pedestal to yield a self-consistent solution. Given these attributes, STEP-0D not only improves the accuracy of predicting plasma performance but also provides a path toward a novel fusion power plant design workflow. When integrated with engineering and costing models within an optimization, this new approach could eliminate the iterative reconciliation between plasma models of varying fidelity. This potential for a more efficient design process underpins STEP-0D's significant contribution to future fusion power plant development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Reanalysis of x ray emission from M87 II: Multiphase models

In a previous paper by the authors (hereafter TB), it was shown that the hot intracluster gas around M87 could not be adequately explained in terms of a spherically symmetric, single phase model. It was found that although data from the Einstein satellite High Resolution Imager (HRI), Imaging Proportional Counter (IPC), and Focal Point Crystal Spectrometer (FPCS) could indeed be simultaneously explained by a single phase model, data from the Solid State Spectrometer (SSS) and optically determined mass estimates could not be similarly explained. A qualitative discussion was then given to indicate how the adoption of a specific multiphase model could plausibly improve upon the single phase model, but a detailed discussion was delayed until now. The x ray data is reanalyzed for the gas around M87 in the same spirit as the work in TB. That is, by assuming several cooling flow models, the shortcomings are improved upon. The procedure of TB was adopted and the data reanalyzed in the following manner: a multiphase model is assumed which can compute the surface brightness as seen by HRI and IPC. Also, the line fluxes can be computed of the lines seen by the FPCS and the mass profile after assuming hydrostatic equilibrium. The parameters of the model are then adjusted to fit the data. A check is then made to see whether the resulting model is consistent with the SSS spectrum and the equivalent width of the 7 keV complex of Fe lines as seen by large field of view instruments.

Tsai, John C.↗
DOE OSTI2020

Thermal fluctuations in the Landau-Lifshitz-Bloch model

A formulation for thermal noise in the stochastic form of the Landau-Lifshitz-Bloch equation used for modeling the magnetization dynamics at elevated temperatures is presented here. The diffusion coefficients for thermal fluctuations are obtained via the Fokker-Plank equation using the mean-field approximation of the field in defining the free energy. The presented model leads to a mean magnetization consistent with the equilibrium magnetization for small and large particles. The distribution of the magnetization magnitude is of the Maxwell-Boltzmann type. The presented model was tested by studying the equilibrium magnetization in macrospin particles at high temperatures. The model is appealing for multiscale modeling, such as modeling heat assisted magnetic recording systems and all-optical magnetization reversal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Coronal current-sheet formation - The effect of asymmetric and symmetric shears

A 2.5D numerical code is used to investigate the results of an asymmetric shear imposed on a potential quadrupolar magnetic field under two sets of atmospheric boundary conditions - a low-beta plasma with line tying at the base, similar to the line-tied analytic model, and a hydrostatic-equilibrium atmosphere with solar gravity, typical of the observed photosphere-chromosphere interface. The low-beta simulation confirms the crucial role of the line-tying assumption in producting current sheets. The effects of a symmetric shear on the same hydrostatic-equilibrium atmosphere is examined, using more grid points to improve the resolution of the current structures which form along the flux surfaces. It is found that true current sheets do not form in the corona when a more realistic model is considered. The amount of Ohmic dissipation in the thick currents is estimated to be two to four orders of magnitude below that required to heat the corona. It is concluded that magnetic topologies of the type examined here do not contribute significantly to coronal heating.

Karpen, Judith T.↗
DOE OSTI2025

Selection of solvents for integrated CO 2 absorption and electrochemical reduction systems

Abstract Solvent‐based electrochemical CO 2 reduction (CO 2 R) enables the production of chemicals or fuels using CO 2 from a preceding absorption process. Employing previously tested CO 2 capture solvents does not ensure their suitability for either CO 2 R or integrated CO 2 absorption‐reduction. We propose solvent selection criteria that include the CO 2 solubility, kinetic constant, ionic conductivity, concentration of the bicarbonate, carbamate, and solvent cation in the CO 2 ‐loaded solution, and sustainability indicators. They are implemented for solvent selection (a) from novel, aqueous mixtures of N ‐methylcyclohexylamine (MCA) with piperazine (PZ), 2‐amino‐2‐methyl‐1‐propanol (AMP), potassium hydroxide (KOH), and potassium chloride (KCl) and (b) from aqueous monoethanolamine (MEA), AMP, KOH, MCA, and PZ solutions. Versions of a modified Kent‐Eisenberg model for strong bases, carbamate, and non‐carbamate‐forming amine solutions are developed and parameterized through experimental equilibrium measurements. CO 2 R experimental results are presented for solutions of KOH and MCA + KOH, as these indicate desired trade‐offs for CO 2 absorption and reduction.

Amines↗
DOE OSTI2023

IDAES-PSE 2.1.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.1.0 Release Highlights New IDAES Examples Repository Starting with this release, the IDAES examples are developed in the new IDAES/examples repository. Along with many content and usability improvements, the most significant changes are: To install the examples, after installing IDAES, run pip install idaes-examples The idaes get-examples command, previously used for this, has been removed The HTML version is now available at https://idaes-examples.readthedocs.io The previous URL, https://idaes.github.io/examples-pse, will not be updated and may be removed at some point in the future For more details, refer to the resources available at IDAES/examples. Removal of Non-Functional Apps A review of the code in the idaes/apps and idaes/models_extra folders was undertaken, and a number of tools were identified as being outdated or non-functional and no longer supported by their development teams. Due to this, the following tools have been removed: idaes/apps/alamopy_depr (note that the new ALAMOpy interface remains avaialble in idaes/core/surrogates) idaes/apps/helmet idaes/apps/ripe idaes/apps/roundingRegression idaes/models_extra/carbon_capture Pyomo 6.6 This version of IDAES is the first requiring Pyomo 6.6. This version of Pyomo contains multiple internal improvements and refactorings. While for the majority of cases this should have positive or no impact on solvability of IDAES models, we are aware of a small number of models that have been affected as a result of these changes. For more information, refer to the Pyomo 6.6.1 release notes. Other highlights Model Initialization A prototype API for a new approach to initializing IDAES models is now available which makes available some new techniques for initializing models. This is documented in the Initializing Models Reference Guide Modular Properties Framework Support for some transport properties Helmholtz Equation of State properties Better error checking for case where unit models are set to include phase equilibrium but the property package is set to support only a single phase Multi-Stream Contactor model: a new base model for systems involving contacting of two or more streams with mass transfer. This model is intended to be used as the foundation for models such as membrane separators, solvent extraction and other similar processes. This is documented in the Multi-Stream Contactor Reference Guide idaes/models_extra/power_generation report() methods for unit models using Helmholtz equation of state General Code Maintenance Streamlining of dependencies and creation of new optional dependency groupings to support non-core tools General linting of codebase to ensure compliance with most pylint checks Spell checking of all code and doc strings Removal of backward compatibility code for Python 2

IDAES↗
NASA NTRS2021

Large-scale features of Last Interglacial climate: results from evaluating the lig127k simulations for the Coupled Model Intercomparison Project (CMIP6)–Paleoclimate Modeling Intercomparison Project (PMIP4)

The modeling of paleoclimate, using physically based tools, is increasingly seen as a strong out-of-sample test of the models that are used for the projection of future climate changes. New to the Coupled Model Intercomparison Project (CMIP6) is the Tier 1 Last Interglacial experiment for 127 000 years ago (lig127k), designed to address the climate responses to stronger orbital forcing than the midHolocene experiment, using the same state-of-the-art models as for the future and following a common experimental protocol. Here we present a first analysis of a multi-model ensemble of 17 climate models, all of which have completed the CMIP6 DECK (Diagnostic, Evaluation and Characterization of Klima) experiments. The equilibrium climate sensitivity (ECS) of these models varies from 1.8 to 5.6°C. The seasonal character of the insolation anomalies results in strong summer warming over the Northern Hemisphere continents in the lig127k ensemble as compared to the CMIP6 piControl and much-reduced minimum sea ice in the Arctic. The multi-model results indicate enhanced summer monsoonal precipitation in the Northern Hemisphere and reductions in the Southern Hemisphere. These responses are greater in the lig127k than the CMIP6 midHolocene simulations as expected from the larger insolation anomalies at 127 than 6 ka. New synthesis for surface temperature and precipitation, targeted for 127 ka, have been developed for comparison to the multi-model ensemble. The lig127k model ensemble and data reconstructions are in good agreement for summer temperature anomalies over Canada, Scandinavia, and the North Atlantic and for precipitation over the Northern Hemisphere continents. The model–data comparisons and mismatches point to further study of the sensitivity of the simulations to uncertainties in the boundary conditions and of the uncertainties and sparse coverage in current proxy reconstructions. The CMIP6–Paleoclimate Modeling Intercomparison Project (PMIP4) lig127k simulations, in combination with the proxy record, improve our confidence in future projections of monsoons, surface temperature, and Arctic sea ice, thus providing a key target for model evaluation and optimization.

Last Interglacial climate↗
NASA NTRS1976

Defining constants, equations, and abbreviated tables of the 1975 US Standard Atmosphere

The U.S. Standard Atmosphere, 1975 (COESA, 1975) is an idealized, steady-state representation of the earth's atmosphere from the surface of the earth to 1000-km altitude, as it is assumed to exist in a period of moderate solar activity. From 0 to 86 km, the atmospheric model is specified in terms of the hydrostatic equilibrium of a perfect gas, with that portion of the model from 0 to 51 geopotential kilometers being identical with that of the U.S. Standard Atmosphere, 1962 (COESA, 1962). Between 51 and 86 km, the defining temperature-height profile has been modified from that of the 1962 Standard to lower temperatures between 51 and 69.33 km, and to greater values between 69.33 and 86 km. Above 86 km, the model is defined in terms of quasi-dynamic considerations involving the vertical component of the flux of molecules of individual gas species. These conditions lead to the generation of independent number-density distributions of the major species, N2, O2, O, Ar, Ne, and H, consistent with observations. The detailed definitions of the model are presented along with graphs and abbreviated tables of the atmospheric properties of the 1975 Standard.

Minzner, R. A.↗
NASA NTRS1981

Closed-form solutions of performability

Methods which yield closed form performability solutions for continuous valued variables are developed. The models are similar to those employed in performance modeling (i.e., Markovian queueing models) but are extended so as to account for variations in structure due to faults. In particular, the modeling of a degradable buffer/multiprocessor system is considered whose performance Y is the (normalized) average throughput rate realized during a bounded interval of time. To avoid known difficulties associated with exact transient solutions, an approximate decomposition of the model is employed permitting certain submodels to be solved in equilibrium. These solutions are then incorporated in a model with fewer transient states and by solving the latter, a closed form solution of the system's performability is obtained. In conclusion, some applications of this solution are discussed and illustrated, including an example of design optimization.

Meyer, J. F.↗