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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Improving vertical detail in simulated temperature and humidity data using machine learning

Atmospheric models used for weather forecasting and climate predictions discretise the atmosphere onto a vertical grid. There are however atmospheric phenomena that occur on scales smaller than the thickness of those model layers. The formation of low-level clouds due to temperature inversions is an example. This leads to atmospheric models underestimating, or even missing, these clouds and their radiative effects. Using radiosonde observations as training data, a machine learning model is used to improve the vertical detail of modelled profiles of temperature and specific humidity. In addition, a physics-informed machine learning model is developed and compared to the traditional approach; showing improvements in the cloud fraction profiles calculated from its predictions. The vertically enhanced profiles also improve the representation of layers of convective inhibition and anomalous refractivity gradients. This work facilitates targeted improvements to the representation of certain atmospheric processes without the burden of increased memory and computational cost from increasing vertical resolution throughout the whole model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Optoelectronic properties of germanium iodide perovskites AGeI{sub 3} (A = K, Rb and Cs): first principles investigations

In this paper, we have investigated the structural, optoelectronic and elastic properties of AGeI{sub 3} (A = K, Rb and Cs) using the density functional theory with generalized gradient approximation (GGA) for potential exchange correlation. The modified Becke–Johnson (mBJ-GGA) potential approximation is also used for calculating the optoelectronic properties of the material. The results show that the band structure of the perovskites AGeI{sub 3} (have a semiconductor behavior with direct band gap at R–R direction, the gap energy values calculated with mBJ-GGA, for each compound as following: 0.58, 0.63, and 0.71 eV, respectively. The optical properties, such as real and imaginary parts of the dielectric functions, refractive index, reflectivity, conductivity and absorption coefficient are investigated. As results, these compounds are competent candidates photovoltaic application like light harvester.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Epitaxy, exfoliation, and strain-induced magnetism in rippled Heusler membranes

Single-crystalline membranes of functional materials enable the tuning of properties via extreme strain states; however, conventional routes for producing membranes require the use of sacrificial layers and chemical etchants, which can both damage the membrane and limit the ability to make them ultrathin. Here we demonstrate the epitaxial growth of the cubic Heusler compound GdPtSb on graphene-terminated Al 2 O 3 substrates. Despite the presence of the graphene interlayer, the Heusler films have epitaxial registry to the underlying sapphire, as revealed by x-ray diffraction, reflection high energy electron diffraction, and transmission electron microscopy. The weak Van der Waals interactions of graphene enable mechanical exfoliation to yield free-standing GdPtSb membranes, which form ripples when transferred to a flexible polymer handle. Whereas unstrained GdPtSb is antiferromagnetic, measurements on rippled membranes show a spontaneous magnetic moment at room temperature, with a saturation magnetization of 5.2 bohr magneton per Gd. First-principles calculations show that the coupling to homogeneous strain is too small to induce ferromagnetism, suggesting a dominant role for strain gradients. Our membranes provide a novel platform for tuning the magnetic properties of intermetallic compounds via strain (piezomagnetism and magnetostriction) and strain gradients (flexomagnetism).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Kinetic theory of quasi-stationary collisionless axisymmetric plasmas in the presence of strong rotation phenomena

The problem of formulating a kinetic treatment for quasi-stationary collisionless plasmas in axisymmetric systems subject to the possibly independent presence of local strong velocity-shear and supersonic rotation velocities is posed. The theory is developed in the framework of the Vlasov-Maxwell description for multi-species non-relativistic plasmas. Applications to astrophysical accretion discs arising around compact objects and to plasmas in laboratory devices are considered. Explicit solutions for the equilibrium kinetic distribution function (KDF) are constructed based on the identification of the relevant particle adiabatic invariants. These are shown to be expressed in terms of generalized non-isotropic Gaussian distributions. A suitable perturbative theory is then developed which allows for the treatment of non-uniform strong velocity-shear/supersonic plasmas. This yields a series representation for the equilibrium KDF in which the leading-order term depends on both a finite set of fluid fields as well as on the gradients of an appropriate rotational frequency. Constitutive equations for the fluid number density, flow velocity, and pressure tensor are explicitly calculated. As a notable outcome, the discovery of a new mechanism for generating temperature and pressure anisotropies is pointed out, which represents a characteristic feature of plasmas considered here. This is shown to arise as a consequence of the canonical momentum conservation and to contribute to the occurrence of temperature anisotropy in combination with the adiabatic conservation of the particle magnetic moment. The physical relevance of the result and the implications of the kinetic solution for the self-generation of quasi-stationary electrostatic and magnetic fields through a kinetic dynamo are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Characteristic length scale of the magnon accumulation in Fe{sub 3}O{sub 4}/Pt bilayer structures by incoherent thermal excitation

The dependence of Spin Seebeck effect (SSE) with the thickness of the magnetic materials is studied by means of incoherent thermal excitation. The SSE voltage signal in Fe{sub 3}O{sub 4}/Pt bilayer structure increases with the magnetic material thickness up to 100 nm, approximately, showing signs of saturation for larger thickness. This dependence is well described in terms of a spin current pumped in the platinum film by the magnon accumulation in the magnetic material. The spin current is generated by a gradient of temperature in the system and detected by the Pt top contact by means of inverse spin Hall effect. Calculations in the frame of the linear response theory adjust with a high degree of accuracy the experimental data, giving a thermal length scale of the magnon accumulation (Λ) of 17 ± 3 nm at 300 K and Λ = 40 ± 10 nm at 70 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Zonostrophic instability driven by discrete particle noise

The consequences of discrete particle noise for a system possessing a possibly unstable collective mode are discussed. It is argued that a zonostrophic instability (of homogeneous turbulence to the formation of zonal flows) occurs just below the threshold for linear instability. The scenario provides a new interpretation of the random forcing that is ubiquitously invoked in stochastic models such as the second-order cumulant expansion or stochastic structural instability theory; neither intrinsic turbulence nor coupling to extrinsic turbulence is required. A representative calculation of the zonostrophic neutral curve is made for a simple two-field model of toroidal ion-temperature-gradient-driven modes. To the extent that the damping of zonal flows is controlled by the ion-ion collision rate, the point of zonostrophic instability is independent of that rate. Published by AIP Publishing.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

From Boltzmann equations to steady wall velocities

By means of a relativistic microscopic approach we calculate the expansion velocity of bubbles generated during a first-order electroweak phase transition. In particular, we use the gradient expansion of the Kadanoff-Baym equations to set up the fluid system. This turns out to be equivalent to the one found in the semi-classical approach in the non-relativistic limit. Finally, by including hydrodynamic deflagration effects and solving the Higgs equations of motion in the fluid, we determine velocity and thickness of the bubble walls. Our findings are compared with phenomenological models of wall velocities. As illustrative examples, we apply these results to three theories providing first-order phase transitions with a particle content in the thermal plasma that resembles the Standard Model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A line-binned treatment of opacities for the spectra and light curves from neutron star mergers

ABSTRACT The electromagnetic observations of GW170817 were able to dramatically increase our understanding of neutron star mergers beyond what we learned from gravitational waves alone. These observations provided insight on all aspects of the merger from the nature of the gamma-ray burst to the characteristics of the ejected material. The ejecta of neutron star mergers are expected to produce such electromagnetic transients, called kilonovae or macronovae. Characteristics of the ejecta include large velocity gradients, relative to supernovae, and the presence of heavy r-process elements, which pose significant challenges to the accurate calculation of radiative opacities and radiation transport. For example, these opacities include a dense forest of bound–bound features arising from near-neutral lanthanide and actinide elements. Here we investigate the use of fine-structure, line-binned opacities that preserve the integral of the opacity over frequency. Advantages of this area-preserving approach over the traditional expansion–opacity formalism include the ability to pre-calculate opacity tables that are independent of the type of hydrodynamic expansion and thus eliminate the computational expense of calculating opacities within radiation-transport simulations. Tabular opacities are generated for all 14 lanthanides as well as a representative actinide element, uranium. We demonstrate that spectral simulations produced with the line-binned opacities agree well with results produced with the more accurate continuous Monte Carlo Sobolev approach, as well as with the commonly used expansion–opacity formalism. The agreement between the line-binned and expansion–opacity results is explained as arising from the similarity in their opacities in the limit of low optical depth, where radiation transport is important in the ejecta. Additional investigations illustrate the convergence of opacity with respect to the number of included lines, and elucidate sensitivities to different atomic physics approximations, such as fully and semirelativistic approaches.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2013

A method for online verification of adapted fields using an independent dose monitor

Purpose: Clinical implementation of online adaptive radiotherapy requires generation of modified fields and a method of dosimetric verification in a short time. We present a method of treatment field modification to account for patient setup error, and an online method of verification using an independent monitoring system.Methods: The fields are modified by translating each multileaf collimator (MLC) defined aperture in the direction of the patient setup error, and magnifying to account for distance variation to the marked isocentre. A modified version of a previously reported online beam monitoring system, the integral quality monitoring (IQM) system, was investigated for validation of adapted fields. The system consists of a large area ion-chamber with a spatial gradient in electrode separation to provide a spatially sensitive signal for each beam segment, mounted below the MLC, and a calculation algorithm to predict the signal. IMRT plans of ten prostate patients have been modified in response to six randomly chosen setup errors in three orthogonal directions.Results: A total of approximately 49 beams for the modified fields were verified by the IQM system, of which 97% of measured IQM signal agree with the predicted value to within 2%.Conclusions: The modified IQM system was found to be suitable for online verification of adapted treatment fields.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

SU-E-J-116: Uncertainties Associated with Dose Summation of High-Dose Rate Brachytherapy and Intensity Modulated Radiotherapy for Gynecological Cases

Purpose: Determining the cumulative dose distribution (CDD) for gynecological patients treated with both high-dose rate (HDR) brachytherapy and intensity-modulated radiotherapy (IMRT) is challenging. The purpose of this work is to study the uncertainty of performing this with a structure-guided deformable (SGD) approach in Velocity. Methods: For SGD, the Hounsfield units inside specified contours are overridden to set uniform values. Deformable image registration (DIR) is the run on these process images, which forces the DIR to focus on these contour boundaries. 18 gynecological cancer patients were used in this study. The original bladder and rectum planning contours for these patients were used to drive the SGD. A second set of contours were made of the bladder by the same person with the intent of carefully making them completely consistent with each other. This second set was utilized to evaluate the spatial accuracy of the SGD. The determined spatial accuracy was then multiplied by the local dose gradient to determine a dose uncertainty associated with the SGD dose warping. The normal tissue complication probability (NTCP) was then calculated for each dose volume histogram (DVH) that included four different probabilistic uncertainties associated with the spatial errors (e.g., 68.3% and 95.4%). Results: The NTCPs for each DVH (e.g., NTCP-−95.4%, NTCP-−68.3%, NTCP-68.3%, NTCP-95.4%) differed amongst patients. All patients had an NTCP-−95.4% close to 0%, while NTCP-95.4% ranged from 0.67% to 100%. Nine patients had an NTCP-−95.4% less than 50% while the remaining nine patients had NTCP-95.4% greater than 50%. Conclusion: The uncertainty associated with this CDD technique renders a large NTCP uncertainty. Thus, it is currently not practical for clinical use. The two ways to improve this would be to use more precise contours to drive the SGD and to use a more accurate DIR algorithm.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Greenhouse gas and dissolved oxygen production and consumption rates associated with Regier et al. (2023)

Tidal inundation along the coastal terrestrial-aquatic interface controls soil and sediment biogeochemistry and gas dynamics. Although a rich literature exist on studies of the influence of tidal waters on the biogeochemistry of coastal ecosystem soils, few studies have experimentally addressed the reverse question: How do soils (or sediments) from different coastal ecosystems influence the biogeochemistry of the tidal waters that inundate them? We conducted short-term microcosm laboratory experiments where seawater was amended with sediments and soils collected across regional gradients of inundation exposure (i.e., frequently to rarely inundated) and measured changes in dissolved oxygen and greenhouse gas concentrations to calculate gas consumption or production rates occurring during seawater exposure to terrestrial materials. This data package contains dissolved oxygen and greenhouse gas data collected during incubation of soils and sediments collected at 18 sites, which were used in the publication Regier et al. (2023) entitled “Coastal inundation regime moderates the short-term effects of sediment and soil additions on seawater oxygen and greenhouse gas dynamics: a microcosm experiment” which is published in Frontiers in Marine Science (DOI: https://doi.org/10.3389/fmars.2023.1308590).---Acknowledging EXCHANGE: General Support and Data Product UseWe ask that users of EXCHANGE data add the following acknowledgement when publishing data in scholarly articles and data repositories:"This research is based on work supported by COMPASS-FME, a multi-institutional project supported by the U.S. Department of Energy, Office of Science, Biological and Environmental Research as part of the Environmental System Science Program."

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

Concentration changes during eutectic solidification

Thermotransport (or thermal diffusion, Soret effect) is shown to cause significant amount of segregation during the directional solidification of aluminum-copper eutectic. The concentration changes are predicted quantitatively and they are a function of temperature gradient, rate of melting and solidification and the time of soaking. There is a fair agreement between the experiments and calculations. A process is suggested where these concentration changes may be minimized.

Bhat, B. N.↗
NASA NTRS1977

Introductory Remarks

Advanced transonic configurations, such as the supercritical wing, are inherently more sensitive to Reynolds number than earlier configurations because the pressure recovery gradients imposed on the boundary layer are generally steeper. The results of two-dimensional supercritical airfoil investigations and theoretical calculations show this effect. A technique for approximately simulating full-scale Reynolds number characteristics at present wind-tunnel Reynolds numbers for near-cruise conditions is described. The transition strip, which in the past has been located near the leading edge of the wing, is rearward so that the relative displacement thickness of the boundary layer at the trailing edge of the wing is the same as might be expected on a full-scale configuration with the transition near the leading edge. Two-dimensional wind-tunnel results indicate that the technique provides a very good simulation of airfoil characteristics at full-scale Reynolds number. The need for sorting the effects of Reynolds number and aeroelasticity, which can be done in the NTF, is also addressed.

Whitcomb, R.↗
NASA NTRS1984

An overview of wave-mean flow interactions during the winter of 1978-79 derived from LIMS observations

Gradient winds, Eliassen-Palm (EP) fluxes and flux divergences, and the squared refractive index for planetary waves have been calculated from mapped data from the Limb Infrared Monitor of the Stratosphere (LIMS) experiment on Nimbus 7. The changes in the zonal mean atmospheric state, from early winter through 3 disturbances, is described. Convergence or divergence of the EP fluxes clearly produces changes in the zonal mean wind. The steering of the waves by the refractive index structure is not as clear on a daily basis.

Gille, J. C.↗
NASA NTRS1990

ADRPM-VII applied to the long-range acoustic detection problem

An acoustic detection range prediction model (ADRPM-VII) has been written for IBM PC/AT machines running on the MS-DOS operating system. The software allows the user to predict detection distances of ground combat vehicles and their associated targets when they are involved in quasi-military settings. The program can also calculate individual attenuation losses due to spherical spreading, atmospheric absorption, ground reflection and atmospheric refraction due to temperature and wind gradients while varying parameters effecting the source-receiver problem. The purpose here is to examine the strengths and limitations of ADRPM-VII by modeling the losses due to atmospheric refraction and ground absorption, commonly known as excess attenuation, when applied to the long range detection problem for distances greater than 3 kilometers.

Shalis, Edward↗
NASA NTRS1993

Characterization of the thermal conductivity for Advanced Toughened Uni-piece Fibrous Insulations

Advanced Toughened Uni-piece Fibrous Insulations (TUFI) is discussed in terms of their thermal response to an arc-jet air stream. A modification of the existing Ames thermal conductivity program to predict the thermal response of these functionally gradient materials is described in the paper. The modified program was used to evaluate the effect of density, surface porosity, and density gradient through the TUFI materials on the thermal response of these insulations. Predictions using a finite-difference code and calculated thermal conductivity values from the modified program were compared with in-depth temperature measurements taken from TUFI insulations during short exposures to arc-jet hypersonic air streams.

Stewart, David A.↗