Search NASA⌕ Search

SEARCH · Search NASA

Results for “sensitivity gradient”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Wall-Resolved Large-Eddy Simulation of Flow Separation Over NASA Wall-Mounted Hump

This paper reports the findings from a study that applies wall-resolved large-eddy simulation to investigate flow separation over the NASA wall-mounted hump geometry. Despite its conceptually simple flow configuration, this benchmark problem has proven to be a challenging test case for various turbulence simulation methods that have attempted to predict flow separation arising from the adverse pressure gradient on the aft region of the hump. The momentum-thickness Reynolds number of the incoming boundary layer has a value that is near the upper limit achieved by recent direct numerical simulation and large-eddy simulation of incompressible turbulent boundary layers. The high Reynolds number of the problem necessitates a significant number of grid points for wall-resolved calculations. The present simulations show a significant improvement in the separation-bubble length prediction compared to Reynolds-Averaged Navier-Stokes calculations. The current simulations also provide good overall prediction of the skin-friction distribution, including the relaminarization observed over the front portion of the hump due to the strong favorable pressure gradient. We discuss a number of problems that were encountered during the course of this work and present possible solutions. A systematic study regarding the effect of domain span, subgrid-scale model, tunnel back pressure, upstream boundary layer conditions and grid refinement is performed. The predicted separation-bubble length is found to be sensitive to the span of the domain. Despite the large number of grid points used in the simulations, some differences between the predictions and experimental observations still exist (particularly for Reynolds stresses) in the case of the wide-span simulation, suggesting that additional grid resolution may be required.

Uzun, Ali↗
NASA NTRSDate not supplied

Analysis and Optimization of Baseline Single Aisle Aircraft for Future Electrified Powertrain Flight Demonstrator Comparisons

The purpose of this study is to provide baseline single-aisle vehicles for future comparisons with NASA’s Electrified Powertrain Flight Demonstration (EPFD) turbofan-powered Vision Systems. State-of-the-art single-aisle transports with varying design capacities of 100 to 150 passengers are modeled using NASA Ames Research Center’s General Aviation Synthesis Program (GASP) as well as GASPy. GASPy is a modernized Python-based version of GASP built on the OpenMDAO framework to allow for future, efficient gradient-based optimization and coupled airframe-propulsion design. In order to meet projected NASA Aeronautics goals for 2035, advanced aircraft technologies must be incorporated into these vehicle systems. Methodology to parametrically infuse baseline aircraft models with advanced technologies simulating improvements in aerodynamics, structures, and propulsion systems is detailed, along with the results of technology sensitivity studies. Comparison of the baseline and advanced configurations will allow for future analysis of the benefits of future hybrid and fully electric aircraft concepts in the EPFD project, where fuel consumption and emissions will be modeled and assessed. This study has been conducted under the EPFD project to establish benchmark turbofan models and demonstrate System Analysis capabilities in multi-disciplinary aircraft design, analysis, and optimization for advanced turbofan concepts.

Carl J. Recine↗
DOE OSTI2017

A finite element/level set model of polyurethane foam expansion and polymerization

Polyurethane foams are used widely for encapsulation and structural purposes because they are inexpensive, straightforward to process, amenable to a wide range of density variations (1 lb/ft3 - 50 lb/ft3), and able to fill complex molds quickly and effectively. Computational model of the filling and curing process are needed to reduce defects such as voids, out-of-specification density, density gradients, foam decomposition from high temperatures due to exotherms, and incomplete filling. This paper details the development of a computational fluid dynamics model of a moderate density PMDI structural foam, PMDI-10. PMDI is an isocyanate-based polyurethane foam, which is chemically blown with water. The polyol reacts with isocyanate to produces the polymer. PMDI- 10 is catalyzed giving it a short pot life: it foams and polymerizes to a solid within 5 minutes during normal processing. To achieve a higher density, the foam is over-packed to twice or more of its free rise density of 10 lb/ft3. The goal for modeling is to represent the expansion, filling of molds, and the polymerization of the foam. This will be used to reduce defects, optimize the mold design, troubleshoot the processed, and predict the final foam properties. A homogenized continuum model foaming and curing was developed based on reaction kinetics, documented in a recent paper; it uses a simplified mathematical formalism that decouples these two reactions. The chemo-rheology of PMDI is measured experimentally and fit to a generalized- Newtonian viscosity model that is dependent on the extent of cure, gas fraction, and temperature. The conservation equations, including the equations of motion, an energy balance, and three rate equations are solved via a stabilized finite element method. The equations are combined with a level set method to determine the location of the foam-gas interface as it evolves to fill the mold. Understanding the thermal history and loads on the foam due to exothermicity and oven curing is very important to the results, since the kinetics, viscosity, and other material properties are all sensitive to temperature. Results from the model are compared to experimental flow visualization data and post-test X-ray computed tomography (CT) data for the density. Several geometries are investigated including two configurations of a mock structural part and a bar geometry to specifically test the density model. We have found that the model predicts both average density and filling profiles well. However, it under predicts density gradients, especially in the gravity direction. Further model improvements are also discussed for future work.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Overview of the Wendelstein 7-X phase contrast imaging diagnostic

A phase contrast imaging (PCI) diagnostic has been developed for the Wendelstein 7-X (W7-X) stellarator. This diagnostic, funded by the U.S. Department of Energy through the Office of Fusion Energy Sciences, is a collaboration between the Max Planck Institute for Plasmaphysics, MIT, and SUNY Cortland. The primary motivation for the development of the PCI diagnostic is measurement of turbulent fluctuations, such as the ion temperature gradient, electron temperature gradient, and the trapped electron mode instabilities. Understanding how the magnetic geometry and other externally controllable parameters, such as the fueling method and heating scheme, modify the amplitude and spectrum of turbulence is important for finding operational scenarios that can lead to improved performance at fusion-relevant temperatures and densities. The PCI system is also sensitive to coherent fluctuations, as may arise from Alfvén eigenmodes or other MHD activity, for example. The PCI method creates an image of line-integrated variations in the index of refraction. For a plasma, the image created is proportional to the line-integral of electron density fluctuations. Here, this paper provides an overview of some key features of the hardware and the optical system and presents two examples of recent measurements from the W7-X OP1.2a experimental campaign.

47 OTHER INSTRUMENTATION↗
NASA NTRS1976

Gravity-gradient measurements down to approximately 100-km height by means of long-tethered satellites

Long-tethered satellite systems for Shuttle flights would make measurements of the earth's gravitational field possible to a spatial resolution approaching 100 km. For instance, a subsatellite carrying a gravity gradiometer could be made to orbit at a height of 110 km by means of a 110-km tether tied to the Shuttle in a 220-km orbit. Even with an overall instrument sensitivity as poor as 1 Eotvos unit (e.u.), it would be possible to measure spatial wavelengths of approximately 600 to 700 km (i.e., harmonics of 80th to 70th degree). Also, a system of two satellites (one of which could be the Shuttle orbiter or one of its payloads) connected by a tether a few tens of kilometers long could provide a simple and sensitive means of detecting gravity anomalies characterized by wavelengths of a few hundred kilometers. In this system, the observable would be the mechanical tension on the tether, and a sensitivity up to 0.01 e.u. could be attained, provided the two satellites are tracked from the ground with sufficient accuracy.

Colombo, G.↗
NASA NTRS2020

Assessment of NO2 Observations During DISCOVER-AQ and KORUS-AQ Field Campaigns

NASA’s Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ, conducted in 2011–2014) campaign in the United States and the joint NASA and National Institute of Environmental Research (NIER) Korea–United States Air Quality Study (KORUS-AQ, conducted in 2016) in South Korea were two field study programs that provided comprehensive, integrated data sets of airborne and surface observations of atmospheric constituents, including nitrogen dioxide (NO2), with the goal of improving the interpretation of spaceborne remote sensing data. Various types of NO2 measurements were made, including in situ concentrations and column amounts of NO2 using ground- and aircraft-based instruments, while NO2 column amounts were being derived from the Ozone Monitoring Instrument (OMI) on the Aura satellite. This study takes advantage of these unique datasets by first evaluating in situ data taken from two different instruments on the same aircraft platform, comparing coincidently sampled profile-integrated columns from aircraft spirals with remotely sensed column observations from ground-based Pandora spectrometers, intercomparing column observations from the ground (Pandora), aircraft (in situ vertical spirals), and space (OMI), and evaluating NO2 simulations from coarse Global Modeling Initiative (GMI) and high-resolution regional models. We then use these data to interpret observed discrepancies due to differences in sampling and deficiencies in the data reduction process. Finally, we assess satellite retrieval sensitivity to observed and modeled a priori NO2 profiles. Contemporaneous measurements from two aircraft instruments that likely sample similar air masses generally agree very well but are also found to differ in integrated columns by up to 31.9 %. These show even larger differences with Pandora, reaching up to 53.9 %, potentially due to a combination of strong gradients in NO2 fields that could be missed by aircraft spirals and errors in the Pandora retrievals. OMI NO2 values are about a actor of 2 lower in these highly polluted environments due in part to inaccurate retrieval assumptions (e.g., a priori pro-files) but mostly to OMI’s large footprint (>312 km2).

Nitrogen dioxide↗
DOE OSTI2014

Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields, reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Developing a platform for Fresnel diffractive radiography with 1 μ m spatial resolution at the National Ignition Facility

An x-ray Fresnel diffractive radiography platform was designed for use at the National Ignition Facility. It will enable measurements of micron-scale changes in the density gradients across an interface between isochorically heated warm dense matter materials, the evolution of which is driven primarily through thermal conductivity and mutual diffusion. Here we use 4.75 keV Ti K-shell x-ray emission to heat a 1000 μm diameter plastic cylinder, with a central 30 μm diameter channel filled with liquid D 2 , up to 8 eV. This leads to a cylindrical implosion of the liquid D 2 column, compressing it to ~2.3 g/cm 3 . After pressure equilibration, the location of the D 2 /plastic interface remains steady for several nanoseconds, which enables us to track density gradient changes across the material interface with high precision. For radiography, we use Cu He- α x rays at 8.3 keV. Using a slit aperture of only 1 μm width increases the spatial coherence of the source, giving rise to significant diffraction features in the radiography signal, in addition to the refraction enhancement, which further increases its sensitivity to density scale length changes at the D 2 /plastic interface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Challenges and Prospects for Reducing Coupled Climate Model SST Biases in the Eastern Tropical Atlantic and Pacific Oceans: The U.S. CLIVAR Eastern Tropical Oceans Synthesis Working Group

Well-known problems trouble coupled general circulation models of the eastern Atlantic and Pacific Ocean basins. Model climates are significantly more symmetric about the equator than is observed. Model sea surface temperatures are biased warm south and southeast of the equator, and the atmosphere is too rainy within a band south of the equator. Near-coastal eastern equatorial SSTs are too warm, producing a zonal SST gradient in the Atlantic opposite in sign to that observed. The U.S. Climate Variability and Predictability Program (CLIVAR) Eastern Tropical Ocean Synthesis Working Group (WG) has pursued here an updated assessment of coupled model SST biases, focusing on the surface energy balance components, on regional error sources from clouds, deep convection, winds, and ocean eddies; on the sensitivity to model resolution; and on remote impacts. Motivated by the assessment, the WG makes the following recommendations: 1) encourage identification of the specific parameterizations contributing to the biases in individual models, as these can be model dependent; 2) restrict multimodel intercomparisons to specific processes; 3) encourage development of high-resolution coupled models with a concurrent emphasis on parameterization development of finer-scale ocean and atmosphere features, including low clouds; 4) encourage further availability of all surface flux components from buoys, for longer continuous time periods, in persistently cloudy regions; and 5) focus on the eastern basin coastal oceanic upwelling regions, where further opportunities for observational–modeling synergism exist.

58 GEOSCIENCES↗
NASA NTRS1981

A description of the UK Meteorological Office CCN counter

The chamber is a thermal gradient diffusion type with the upper plate at room temperature and the lower plate thermoelectrically cooled. The light from a 25W projector bulb is focused in a beam of approximations 1x3 mm in the central part of the chamber. The light scattered by drops is viewed in the forward direction (40 deg) by a microscope and a sensitive photodetector. Experiments were performed to relate the peak output from the photocell with the maximum number of drops in the beam recorded photographically. The microscope is used to check the calibration at low concentrations of CCN. The results of the experiments and the performance of the counter are reported.

Kitchen, M.↗
NASA NTRS1992

The magnetic field investigation on the Ulysses mission - Instrumentation and preliminary scientific results

A fundamental feature of the heliosphere is the three-dimensional structure of the interplanetary magnetic field. The magnetic field investigation on Ulysses, the first space probe to explore the out-of-ecliptic and polar heliosphere, aims at determining the large-scale features and gradients of the field, as well as the heliolatitude dependence of interplanetary phenomena so far only observed near the ecliptic plane. The Ulysses magnetometer uses two sensors, one a Vector Helium Magnetometer, the other a Fluxgate Magnetometer. Onboard data processing yields measurements of the magnetic field vector with a time resolution up to 2 vectors/second and a sensitivity of about 10 pT. Since the switch-on of the instrument in flight on 25 October 1990, a steady stream of observations has been made, indicating that at this phase of the solar cycle the field is generally disturbed: several shock waves and a large number of discontinuities have been observed, as well as several periods with apparently intense wave activity. The paper gives a brief summary of the scientific objectives of the investigation, followed by a detailed description of the instrument and its characteristics. Examples of wave bursts, interplanetary shocks and crossings of the heliospheric current sheet are given to illustrate the observations made with the instrument.

Balogh, A.↗
DOE OSTI2016

Interdependence of spin structure, anion height and electronic structure of BaFe{sub 2}As{sub 2}

Superconducting as well as other electronic properties of Fe-based superconductors are quite sensitive to the structural parameters specially, on anion height which is intimately related to z{sub As}, the fractional z co-ordinate of As atom. Due to presence of strong magnetic fluctuation in these Fe-based superconductors, optimized structural parameters (lattice parameters a, b, c) including z{sub As} using density functional theory (DFT) under generalized gradient approximation (GGA) does not match experimental values accurately. In this work, we show that the optimized value of z{sub As} is strongly influenced by the spin structures in the orthorhombic phase of BaFe{sub 2}As{sub 2} system. We take all possible spin structures for the orthorhombic BaFe{sub 2}As{sub 2} system and then optimize z{sub As}. Using these optimized structures we calculate electronic structures like density of states, band structures etc., for each spin configurations. From these studies we show that the electronic structure, orbital order which is responsible for structural as well as related to nematic transition, are significantly influenced by the spin structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Linking variation in intrinsic water‐use efficiency to isohydricity: a comparison at multiple spatiotemporal scales

Summary Species‐specific responses of plant intrinsic water‐use efficiency ( iWUE ) to multiple environmental drivers associated with climate change, including soil moisture ( θ ), vapor pressure deficit ( D ), and atmospheric CO 2 concentration ( c a ), are poorly understood. We assessed how the iWUE and growth of several species of deciduous trees that span a gradient of isohydric to anisohydric water‐use strategies respond to key environmental drivers ( θ , D and c a ). iWUE was calculated for individual tree species using leaf‐level gas exchange and tree‐ring δ 13 C in wood measurements, and for the whole forest using the eddy covariance method. The iWUE of the isohydric species was generally more sensitive to environmental change than the anisohydric species was, and increased significantly with rising D during the periods of water stress. At longer timescales, the influence of c a was pronounced for isohydric tulip poplar but not for others. Trees’ physiological responses to changing environmental drivers can be interpreted differently depending on the observational scale. Care should be also taken in interpreting observed or modeled trends in iWUE that do not explicitly account for the influence of D .

Yi, Koong↗
DOE OSTI2020

Comparing GGA, GGA+ U , and meta-GGA functionals for redox-dependent binding at open metal sites in metal–organic frameworks

Metal–organic frameworks (MOFs) with open metal sites have been widely investigated for the selective adsorption of small molecules via redox mechanisms where charge transfer can take place between the binding site and the adsorbate of interest. Quantum-chemical screening methods based on density functional theory have emerged as a promising route to accelerate the discovery of MOFs with enhanced binding affinities toward various adsorbates. However, the success of this approach is linked to the accuracy of the underlying density functional approximations (DFAs). In this work, we compare commonly used generalized gradient approximation (GGA), GGA+U, and meta-GGA exchange-correlation functionals in modeling redox-dependent binding at open metal sites in MOFs using O 2 and N 2 as representative small molecules. We find that the self-interaction error inherent to the widely used Perdew, Burke, and Ernzerhof (PBE) GGA predicts metal sites that are artificially redox-active, as evidenced by their strong binding affinities, short metal–adsorbate bond distances, and large degree of charge transfer. The incorporation of metal-specific, empirical Hubbard U corrections based on the transition metal oxide literature systematically reduces the redox activity of the open metal sites, often improving agreement with experiment. Additionally, the binding behavior shifts from strong chemisorption to weaker physisorption as a function of U. The M06-L meta-GGA typically predicts binding energies between those of PBE-D3(BJ) and PBE-D3(BJ)+U when using empirically derived U values from the transition metal oxide literature. Despite the strong sensitivity of the binding affinities toward a given DFA, the GGA, GGA+U, and meta-GGA approaches often yield the same qualitative trends and structure–property relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Optimizing Native Ion Mobility Q-TOF in Helium and Nitrogen for Very Fragile Noncovalent Structures

The amount of internal energy imparted to the ions prior to the ion mobility cell influences the ion structure and thus the collision cross section. Non-covalent complexes with few internal degrees of freedom and/or high charge densities are particularly sensitive to collisional activation. Here, we investigated the effects of virtually all tuning parameters of the Agilent 6560 IM-Q-TOF on the arrival time distributions of ubiquitin{sup 7+} and found conditions in which the native state prevails. We discuss the effects of solvent evaporation conditions in the source, of the entire pre-IM DC voltage gradient, of the funnel RF amplitudes. We also report on ubiquitin{sup 7+} conformations in different solvents, including native supercharging conditions. Collision-induced unfolding (CIU) can be conveniently provoked either behind the source capillary or in the trapping funnel. The softness of the instrumental conditions behind the mobility cell was further optimized with the DNA G-quadruplex [(dG{sub 4}T{sub 4}G{sub 4}){sub 2}·(NH{sub 4}{sup +}){sub 3}-8H]{sup 5−}, for which ion activation results in ammonia loss. To reduce the ion internal energy and obtain the intact 3-NH{sub 4}{sup +} complex, we reduce the post-IM voltage gradient, but this results in a lower IM resolving power due to increased diffusion behind the drift tube. The article describes the various trade-offs between ion activation, ion transmission, and ion mobility performance for native MS of very fragile structures. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Relationship between Conductivity, Ion Diffusion, and Transference Number in Perfluoropolyether Electrolytes

Connecting continuum-scale ion transport properties such as conductivity and cation transference number to microscopic transport properties such as ion dissociation and ion self-diffusivities is an unresolved challenge in characterizing polymer electrolytes. Better understanding of the relationship between microscopic and continuum scale transport properties would enable the rational design of improved electrolytes for applications such as lithium batteries. Here, we present measurements of continuum and microscopic ion transport properties of nonflammable liquid electrolytes consisting of binary mixtures of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and perfluoropolyethers (PFPE) with different end groups: diol, dimethyl carbonate, ethoxy-diol, and ethoxy-dimethyl carbonate. The continuum properties, conductivity and cation transference number, were measured by ac impedance spectroscopy and potentiostatic polarization, respectively. The ion self-diffusivities were measured by pulsed field gradient nuclear magnetic resonance spectroscopy (PFG-NMR), and a microscopic cation transference number was calculated from these measurements. The measured ion self-diffusivities did not reflect the measured conductivities; in some cases, samples with high diffusivities exhibited low conductivity. We introduce a nondimensional parameter, β, that combines microscopic diffusivities and conductivity. We show that β is a sensitive function of end-group chemistry. In the ethoxylated electrolytes, β is close to unity, the value expected for electrolytes that obey the Nernst-Einstein equation. In these cases, the microscopic and continuum transference numbers are in reasonable agreement. PFPE electrolytes devoid of ethoxy groups exhibit values of β that are significantly lower than unity. In these cases, there is significant deviation between microscopic and continuum transference numbers. We propose that this may be due to electrostatic coupling of the cation and anion or contributions to the NMR signal from neutral ion pairs.

25 ENERGY STORAGE↗
DOE OSTI2022

Ocean Surface Flux Algorithm Effects on Tropical Indo-Pacific Intraseasonal Precipitation

Surface latent heat fluxes help maintain tropical intraseasonal precipitation. We develop a latent heat flux diagnostic that depicts how latent heat fluxes vary with the near-surface specific humidity vertical gradient (Δq) and surface wind speed (|V|). Compared to fluxes estimated from |V| and Δq measured at tropical moorings and the Coupled Ocean Atmosphere Response Experiment 3.0 (COARE3.0) algorithm, tropical latent heat fluxes in the National Center for Atmospheric Research CEMS2 and Department of Energy E3SMv1 models are significantly overestimated at |V| and Δq extrema. Madden–Julian oscillation (MJO) sensitivity to surface flux algorithm is tested with offline and inline flux corrections. The offline correction adjusts model output fluxes toward mooring-estimated fluxes; the inline correction replaces the original bulk flux algorithm with the COARE3.0 algorithm in atmosphere-only simulations of each model. Both corrections indicate reduced latent heat flux feedback to intraseasonal precipitation, in better agreement with observations, suggesting that model-simulated fluxes are overly supportive for maintaining MJO convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Spin Squeezing as a Probe of Emergent Quantum Orders

Nuclear magnetic resonance (NMR) experiments can reveal local properties in materials, but are often limited by the low signal-to-noise ratio. Spin squeezed states have an improved resolution below the Heisenberg limit in one of the spin components, and have been extensively used to improve the sensitivity of atomic clocks, for example [1]. Interacting and entangled spin ensembles with non-linear coupling are a natural candidate for implementing squeezing. Furthermore, we propose measurement of the spin-squeezing parameter that itself can act as a local probe of emergent orders in quantum materials. In particular, we demonstrate how to investigate an anisotropic electric field gradient via its coupling to the nuclear quadrupole moment. While squeezed spin states are pure, the squeezing parameter can be estimated for both pure and mixed states. We evaluate the range of fields and temperatures for which a thermal-equilibrium state is sufficient to improve the resolution in an NMR experiment and probe relevant parameters of the quadrupole Hamiltonian, including its anisotropy.

36 MATERIALS SCIENCE↗