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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Moving beyond the Solvent-Tip Approximation to Determine Site-Specific Variations of Interfacial Water Structure through 3D Force Microscopy

Although interfacial solution structure impacts environmental, biological, and technological phenomena, including colloidal stability, protein assembly, heterogeneous nucleation, and water desalination, its molecular details remain poorly understood. Here, we visualize the three-dimensional (3D) hydration structure at the boehmite(010)-water interface using fast force mapping (FFM). Using a self-consistent scheme to decouple long-range tip-sample interactions from short-range solvation forces, we obtain the solution structure with lattice resolution. The results are benchmarked against molecular dynamics simulations that explicitly include the effects of the tip with different levels of approximation and systematically account for tip size, chemistry, and confinement effects. We find four laterally structured water layers within 1 nm of the surface, with the highest water densities at sites adjacent to hydroxyl groups. The key features beyond the first two layers can only be predicted using a full-scale simulation of the boehmite-water-silica system. Our findings further reveal a complex relationship between site-specific chemistry, water density, and long-range particle interactions; and present important advances toward quantitative data interpretation in 3D FFM.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Physics or Knob‐Tuning? Tropical Anvil Peak Is Captured by GCMs

Tropical anvil clouds peak near 200 hPa and significantly impact Earth's climate, yet its physical realism in coarse‐resolution General Circulation Models (GCMs) remains debated. We examine anvil cloud formation by performing simulations with a GCM with a hierarchy of cloud fraction schemes ranging from a complex prognostic Tiedtke scheme to a simple binary scheme. All schemes consistently reproduce the anvil peak. The robust anvil peak arises because extremely cold temperatures at the upper troposphere facilitate frequent saturation events, producing clouds that disproportionately influence mean cloud fraction. Sensitivity experiments with enhanced evaporation of cloud condensate unexpectedly show increased anvil coverage, highlighting how slight evaporative moistening reinforces local saturation in cold upper‐tropospheric conditions. These results demonstrate that the tropical anvil cloud peak emerges from fundamental thermodynamic constraints, rather than specific cloud fraction parameterization choices.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Tunable analog thermal material

Naturally-occurring thermal materials usually possess specific thermal conductivity ($\textit{κ}$), forming a digital set of $\textit{κ}$ values. Emerging thermal metamaterials have been deployed to realize effective thermal conductivities unattainable in natural materials. However, the effective thermal conductivities of such mixing-based thermal metamaterials are still in digital fashion, i.e., the effective conductivity remains discrete and static. Here, we report an analog thermal material whose effective conductivity can be in-situ tuned from near-zero to near-infinity $\textit{κ}$. The proof-of-concept scheme consists of a spinning core made of uncured polydimethylsiloxane (PDMS) and fixed bilayer rings made of silicone grease and steel. Thanks to the spinning PDMS and its induced convective effects, we can mold the heat flow robustly with continuously changing and anisotropic $\textit{κ}$. Our work enables a single functional thermal material to meet the challenging demands of flexible thermal manipulation. It also provides platforms to investigate heat transfer in systems with moving components.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods

Here, we studied the effects of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density functional approximations (DFAs), viz. the local spin density approximation (LDA), the Perdew-Burke-Ernzherof (PBE) generalized-gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA, using the Perdew-Zunger self-interaction-correction (PZ-SIC) energy functional in the Fermi-Lowdin orbital SIC (FLO-SIC) framework. Our results show that while all three DFAs overestimate the cluster polarizabilities, the description systematically improves from LDA to PBE to SCAN. The self-correlation free SCAN predicts polarizabilities quite accurately with a mean absolute error (MAE) of 0.58 Bohr 3 with respect to coupled cluster singles and doubles (CCSD) values. Removing SIE using PZ-SIC correctly reduces the DFA polarizabilities, but over-corrects, resulting in underestimated polarizabilities in SIC-LDA, -PBE, and -SCAN. Finally, we applied a recently proposed local-scaling SIC (LSIC) method using a quasi self-consistent scheme and using the kinetic energy density ratio as an iso-orbital indicator. The results show that the LSIC polarizabilities are in excellent agreement with mean absolute error of 0.08 Bohr 3 for LSIC-LDA and 0.06 Bohr 3 for LSIC-PBE with most recent CCSD polarizabilities. Likewise, the ionization energy estimates as an absolute of highest occupied energy eigenvalue predicted by LSIC are also in excellent agreement with CCSD(T) ionization energies with MAE of 0.4 eV for LSIC-LDA and 0.04 eV for LSIC-PBE. The LSIC-LDA predictions of ionization energies are comparable to the reported GW ionization energies while the LSIC-PBE ionization energies are more accurate than reported GW results.

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

Optimized nuclear energy density functionals including long-range pion contributions

Nuclear energy density functionals successfully reproduce properties of nuclei across almost the entire nuclear chart. However, nearly all available functionals are phenomenological in nature and lack a rigorous connection to systematically improvable nuclear forces. This issue might be solved with an energy density functional obtained from first principles. As an intermediate step towards this goal we construct the GUDE family of functionals that is obtained from a hybrid scheme consisting of long-range pion-exchange contributions derived from chiral effective field theory at the Hartree-Fock level and a phenomenological Skyrme part. When including pion contributions beyond next-to-leading order in the chiral expansion, we find significant improvements over a reference Skyrme functional constructed following the same protocol. We analyze the importance of different pion contributions and identify which terms drive the observed improvements. Since pions are incorporated without adding further optimization parameters to the functionals, the improvements can be attributed to the functional form of these terms. Our work therefore suggests that the considered chiral contributions constitute useful ingredients for true energy density functionals. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Effect of thermochemical treatments on laser-induced luminescence spectra from strontium titanate: comparison with swift ion-beam irradiation experiments

Results recently reported on the effect of thermochemical treatments on the (He-Cd) laser-excited emission spectra of strontium titanate (STO) are re-analyzed here and compared with results obtained under ion-beam irradiation. Contributing bands centered at 2.4 eV and 2.8 eV, which appear under laser excitation, present intensities dependent upon previous thermal treatments in oxidizing (O 2 ) or reducing atmosphere (H 2 ). As a key result, the emission band centered at 2.8 eV is clearly enhanced in samples exposed to a reducing atmosphere. From a comparison with the ionoluminescence data, it is concluded that the laser-excited experiments can be rationalized within a framework developed from ion-beam excitation studies. In particular, the band at 2.8 eV, sometimes attributed to oxygen vacancies, behaves as expected for optical transitions from conduction-band (CB) states to the ground state level of the self-trapped exciton center. The band at 2.0 eV reported in ion-beam irradiated STO, and attributed to oxygen vacancies, is not observed in laser-excited crystals. As a consequence of our analysis, a consistent scheme of electronic energy levels and optical transitions can now be reliably offered for strontium titanate.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Robust Optimized Pulse Schemes for Atomic Fountain Interferometry

The robustness of an atomic fountain interferometer with respect to variations in the initial velocity of the atoms and deviations from the optimal pulse amplitude is examined. We numerically simulate the dynamics of an interferometer in momentum space with a maximum separation of and map out the expected signal contrast depending on the variance of the initial velocity distribution and the value of the laser field amplitude. We show that an excitation scheme based on rapid adiabatic passage significantly enhances the expected signal contrast, compared to the commonly used scheme consisting of a series of and pulses. We demonstrate further substantial increase of the robustness by using optimal control theory to identify splitting and swapping pulses that perform well on an ensemble average of pulse amplitudes and velocities. Our results demonstrate the ability of optimal control to significantly enhance future implementations of atomic fountain interferometry.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

WRF-Comfort: simulating microscale variability in outdoor heat stress at the city scale with a mesoscale model

Abstract. Urban overheating and its ongoing exacerbation due to global warming and urban development lead to increased exposure to urban heat and increased thermal discomfort and heat stress. To quantify thermal stress, specific indices have been proposed that depend on air temperature, mean radiant temperature (MRT), wind speed, and relative humidity. While temperature and humidity vary on scales of hundreds of meters, MRT and wind speed are strongly affected by individual buildings and trees and vary on the meter scale. Therefore, most numerical thermal comfort studies apply microscale models to limited spatial domains (commonly representing urban neighborhoods with building blocks) with resolutions on the order of 1 m and a few hours of simulation. This prevents the analysis of the impact of city-scale adaptation and/or mitigation strategies on thermal stress and comfort. To solve this problem, we develop a methodology to estimate thermal stress indicators and their subgrid variability in mesoscale models – here applied to the multilayer urban canopy parameterization BEP-BEM within the Weather Research and Forecasting (WRF) model. The new scheme (consisting of three main steps) can readily assess intra-neighborhood-scale heat stress distributions across whole cities and for timescales of minutes to years. The first key component of the approach is the estimation of MRT in several locations within streets for different street orientations. Second, mean wind speed and its subgrid variability are downscaled as a function of the local urban morphology based on relations derived from a set of microscale LES and RANS simulations across a wide range of realistic and idealized urban morphologies. Lastly, we compute the distributions of two thermal stress indices for each grid square, combining all the subgrid values of MRT, wind speed, air temperature, and absolute humidity. From these distributions, we quantify the high and low tails of the heat stress distribution in each grid square across the city, representing the thermal diversity experienced in street canyons. In this contribution, we present the core methodology as well as simulation results for Madrid (Spain), which illustrate strong differences between heat stress indices and common heat metrics like air or surface temperature both across the city and over the diurnal cycle.

Geology↗
DOE OSTI2022

Hyperspectral remote sensing-based plant community map for region around NGEE-Arctic intensive research watersheds at Seward Peninsula, Alaska, 2017-2019

Using airborne hyperspectral remote sensing data from NASA Airborne Visible-Infrared Imaging Spectrometer- Next Generation (AVIRIS-NG) platforms in a region near NGEE-Arctic intensive watersheds at Seward peninsula of Alaska, high resolution (5m) maps of plant community distribution were developed and included in this data collected. AVIRIS-NG data collected over 2017-2019 period were used to develop deep neural networks, trained using vegetation plot observations collected at NGEE-Arctic watersheds at Kougarok, Council and Teller. A hierarchical vegetation classification scheme consisting of six classes at Level I, and 16 classes at Level II contained in two .txt files were used to developed the plant community maps for the region. Two geospatial raster data files (.tif) at both thematic levels are shared in this data collection. Data files in this collection use Alaska Albers Equal Area projection. Readme files available in three formats (*.html, *.md, *.pdf) and one *.png visualization map.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

A study of air-to-ground sound propagation using an instrumented meteorological tower

The results of an exploratory NASA study, leading to a better understanding of the effects of meteorological conditions on the propagation of aircraft noise, are reported. The experimental program utilized a known sound source fixed atop an instrumented meteorological tower. The basic experimental scheme consisted of measuring the amplitude of sound radiated toward the ground along a line of microphones fixed to a tower guy wire. Experimental results show the feasibility of this approach in the acquisition of data indicating the variations encountered in the time-averaged and instantaneous amplitudes of propagated sound. The investigation included a consideration of ground reflections, a comparison of measured attenuations with predicted atmospheric absorption losses, and an evaluation of the amplitude fluctuations of recorded sound pressures.

Kasper, P. K.↗
NASA NTRS1976

Terminal area guidance along curved paths: A stochastic control approach

Stochastic control theory is applied to the problem of designing a digital flight compensator for terminal guidance along a helical flight path as a prelude to landing. The development of aircraft, wind, and measurement models is discussed along with a control scheme consisting of feedback gains multiplying estimate of the aircraft and wind states obtained from a Kalman one step predictor. Preliminary results are presented which indicate that the compensator performs satisfactorily in the presence of both steady winds and gusts.

Quaranta, J. E.↗
NASA NTRS1977

Recent developments in the Green's function method

A recent computational development on the Green's function method (the method used in the computer program SOUSSA: Steady, Oscillatory and Unsteady Subsonic and Supersonic Aerodynamics) is presented. A scheme consisting of combined numerical (Gaussian quadrature) and analytical procedures for the evaluation of the source and doublet integrals used in the program is presented. This combination results in 80 to 90% reduction in computer time.

Tseng, K.↗
NASA NTRS1978

A double shooting scheme for certain unstable and singular boundary value problems

A scheme is presented to obtain the unique bounded solution for an exponentially unstable linear system. The scheme consists of choosing random data at large initial values and integrating forwards and backwards until accurate regular boundary values are obtained. Proofs of convergence are given for the case that the homogeneous equation has an exponential dichotomy. Applications to other types of problems are discussed and numerical results are presented.

Bayliss, A.↗
NASA NTRS1978

Quantum nondemolition measurements - Comment on recent developments

The limitations of the detectability of extremely weak signals (gravitational radiation for instance) imposed by Heisenberg's uncertainty principle on the sequential determination of those signals have been explored recently. A variety of schemes have been proposed to circumvent these limitations. Although all of the earlier attempts have been proven fruitless a recent proposal seems to be quite promising. The scheme, consisting of two harmonic oscillators interacting with each other in a peculiar way, allows for an exact analytical solution which is derived here. If it can be assumed that the expectation value of one of the canonical variables of the total system suffices to monitor the weak signal it can be shown that, in the absence of thermal noise, arbitrarily weak signals can in principle be measured without interference from the uncertainty principle.

Von Roos, O.↗
NASA NTRS1979

Effect of subjectively enhancing the initial vorticity field in a short-range numerical forecast

The paper tests a simple method to incorporate subsynoptic-scale information into the initial conditions of a forecast model. The amplitude, orientation and vertical structure of the vorticity field associated with the subsynoptic-scale disturbance are estimated subjectively; this is done using a combination of climatological and physical models together with all available data. The initial values of geopotential are then obtained in the vicinity of the subsynoptic-scale disturbance, as over the rest of the domain, through the balance equation. Two sets of initial conditions are tested in 12-hr forecasts using a six-layer version of a primitive equation forecast model (Anthes and Warner, 1978). The analysis schemes consisted of (1) a careful subjective analysis of radiosonde data with a high-resolution objective interpolation, and (2) the same preceding analysis but including data derived from the enhanced vorticity fields in the vicinity of the subsynoptic-scale disturbance. The results are discussed in some detail.

Fried, G. D.↗
NASA NTRS1978

NASA Pioneer: Venus reverse playback telemetry program TR 78-2

During the entry of the Pioneer Venus Atmospheric Probes into the Venus atmosphere, there were several events (RF blackout and data rate changes) which caused the ground receiving equipment to lose lock on the signal. This caused periods of data loss immediately following each one of these disturbing events which lasted until all the ground receiving units (receiver, subcarrier demodulator, symbol synchronizer, and sequential decoder) acquired lock once more. A scheme to recover these data by off-line data processing was implemented. This scheme consisted of receiving the S band signals from the probes with an open loop reciever (requiring no lock up on the signal) in parallel with the closed loop receivers of the real time receiving equipment, down converting the signals to baseband, and recording them on an analog recorder. The off-line processing consisted of playing the analog recording in the reverse direction (starting with the end of the tape) up, converting the signal to S-band, feeding the signal into the "real time" receiving system and recording on digital tape, the soft decisions from the symbol synchronizer.

Modestino, J. W.↗
NASA NTRS1983

Numerical simulation of large-scale ocean-atmosphere coupling and the ocean's role in climate

The problem of reducing model generated sigma coordinate data to pressure levels is considered. A mass consistent scheme for performing budget analyses is proposed, wherein variables interpolated to a given pressure level are weighted according to the mass between a nominal pressure level above and either a nominal pressure level below or the Earth's surface, whichever is closer. The method is applied to the atmospheric energy cycle as simulated by the OSU two level atmospheric general circulation model. The results are more realistic than sigma coordinate analyses with respect to eddy decomposition, and are in agreement with the sigma coordinate evaluation of the numerical energy sink. Comparison with less sophisticated budget schemes indicates superiority locally, but not globally.

Gates, W. L.↗
NASA NTRS1983

Explicit finite difference predictor and convex corrector with applications to hyperbolic partial differential equations

An explicit finite difference scheme consisting of a predictor and a corrector has been developed and applied to solve some hyperbolic partial differential equations (PDEs). The corrector is a convex-type function which is applied at each time level and at each mesh point. It consists of a parameter which may be estimated such that for larger time steps the algorithm should remain stable and generate a fast speed of convergence to the steady-state solution. Some examples have been given.

Dey, C.↗