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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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NASA NTRS1993

Polarimetric thermal emission from rough surfaces

Recent theoretical works have suggested the potential of passive polarimetry in the remote sensing of geophysical media. It was shown that the third Stokes parameter U of the thermal emission may become larger for azimuthally asymmetric fields of observation. In order to investigate the potential applicability of passive polarimetry to the remote sensing of ocean surface, measurements of the polarimetric thermal emission from a sinusoidal water surface and a numerical study of the polarimetric thermal emission from randomly rough ocean surfaces were performed. Measurements of sinusoidal water surface thermal emission were performed using a sinusoidal water surface which was created by placing a thin sheet of fiberglass with a sinusoidal profile in two dimensions extended infinitely in the third dimension onto a water surface. The theory of thermal emission from a 'two-layer' periodic surface is derived and the exact solution is performed using both the extended boundary condition method (EBC) and the method of moments (MOM). The theoretical predictions are found to be in good agreement with the experimental results once the effects of the radiometer antenna pattern are included and the contribution of background noise to the measurements is modeled. The experimental results show that the U parameter indicates the direction of periodicity of the water surface and can approach values of up to 30 K for the surface observed. Next, a numerical study of polarimetric thermal emission from randomly rough surfaces was performed. A Monte Carlo technique utilizing an exact method for calculating thermal emission was chosen for the study to avoid any of the limitations of the commonly used approximate methods in rough surface scattering. In this Monte Carlo technique, a set of finite rough surface profiles in two dimensions with desired statistics was generated and extended periodically. The polarimetric thermal emission from each surface of the set was then calculated using both the EBC and the MOM and the results were averaged. The surface statistics chosen were intended to model a wind perturbed ocean surface in the X to Ku band microwave region. The results indicate that the U parameter is sensitive to the azimuthal angle between the surface periodicity and the looking angle and to the rms height of the surface, and that the U parameter is fairly insensitive to variations in polar angle, permittivity, surface power law spectrum, and surface spectrum high frequency cutoff. These properties give further strength to the idea of using the U parameter to detect wind direction over the ocean.

Johnson, J. T.↗
DOE OSTI2021

Boundary conditions manipulation of polar vortex domains in BiFeO 3 membranes via phase-field simulations

Polar vortex domains have recently become an emergent research field due to the abundant physical phenomena and potential applications in high-density memories. Here, we explore the mechanisms of creating polar vortex domains in the BiFeO3 (BFO) membranes subjected to different boundary conditions using phase-field simulations. A major difference is that the vortex in membrane can be stabilized even under short-circuit electrical boundary conditions compared to vortex in other systems, such as thin film or superlattice. We found that (a) the formation of polar vortex domains at the membrane interior under bending is mainly driven by the reduction of elastic energy under short-circuit boundary condition, and the vortex chirality (namely, clockwise and counterclockwise) could be identified by n-shape and u-shape bending; (b) in the unbent open-circuit BFO membrane case, exotic trapezoid-shaped vortex nanodomains form at the terminations of 109 degrees domain walls (DWs) and partially charged 71 degrees DWs, which is driven by the local depolarization field and the interplay among electrostatic, elastic, and gradient and Landau energies. We also examine Kittel's law by establishing the dependence of vortex periods on the membrane thickness. Furthermore, these results give further understanding of the effect of boundary conditions on the formation of polar vortex domains, guiding experimental designs of vortex-based high-density memories.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Long-range transported continental aerosol in the eastern North Atlantic: three multiday event regimes influence cloud condensation nuclei

Abstract. The eastern North Atlantic (ENA) is a region dominated by pristine marine environment and subtropical marine boundary layer clouds. Under unperturbed atmospheric conditions, the regional aerosol regime in the ENA varies seasonally due to different seasonal surface-ocean biogenic emissions, removal processes, and meteorological regimes. However, during periods when the marine boundary layer aerosol in the ENA is impacted by particles transported from continental sources, aerosol properties within the marine boundary layer change significantly, affecting the concentration of cloud condensation nuclei (CCN). Here, we investigate the impact of long-range transported continental aerosol on the regional aerosol regime in the ENA using data collected at the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) user facility on Graciosa Island in 2017 during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) campaign. We develop an algorithm that integrates number concentrations of particles with optical particle dry diameter (Dp) between 100 and 1000 nm, single scattering albedo, and black carbon concentration to identify multiday events (with duration >24 consecutive hours) of long-range continental aerosol transport in the ENA. In 2017, we detected nine multiday events of long-range transported particles that correspond to ∼ 7.5 % of the year. For each event, we perform HYSPLIT 10 d backward trajectories analysis, and we evaluate CALIPSO aerosol products to assess, respectively, the origins and compositions of aerosol particles arriving at the ENA site. Subsequently, we group the events into three categories, (1) mixture of dust and marine aerosols, (2) mixture of marine and polluted continental aerosols from industrialized areas, and (3) biomass burning aerosol from North America and Canada, and we evaluate their influence on aerosol population and cloud condensation nuclei in terms of potential activation fraction and concentrations at supersaturation of 0.1 % and 0.2 %. The arrival of plumes dominated by the mixture of dust and marine aerosol in the ENA in the winter caused significant increases in baseline Ntot. Simultaneously, the baseline particle size modes and CCN potential activation fraction remained almost unvaried, while cloud condensation nuclei concentrations increased proportionally to Ntot. Events dominated by a mixture of marine and polluted continental aerosols in spring, fall, and winter led to a statistically significant increase in baseline Ntot, a shift towards larger particular sizes, a higher CCN potential activation fractions, and cloud condensation nuclei concentrations of >170 % and up to 240 % higher than during baseline regime. Finally, the transported aerosol plumes characterized by elevated concentration of biomass burning aerosol from continental wildfires detected in the summertime did not statistically contribute to increase baseline aerosol particle concentrations in the ENA. However, particle diameters were larger than under baseline conditions, and CCN potential activation fractions were >75 % higher. Consequentially, cloud concentration nuclei concentrations increased by ∼ 115 % during the period affected by the biomass burning events. Our results suggest that, through the year, multiday events of long-range continental aerosol transport periodically affect the ENA and represent a significant source of CCN in the marine boundary layer. Based on our analysis, in 2017, the multiday aerosol plume transport dominated by a mixture of dust and marine aerosol, a mixture of marine and polluted continental aerosols, and biomass burning aerosols caused increases in the NCCN baseline regime of, respectively, 6.6 %, 8 %, and 7.4 % at SS 0.1 % (and, respectively, 6.5 %, 8.2 %, and 7.3 % at SS 0.2 %) in the ENA.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Low-Dispersion Scheme for Nonlinear Acoustic Waves in Nonuniform Flow

The linear dispersion-relation-preserving scheme and its boundary conditions have been extended to the nonlinear Euler equations. This allowed computing, a nonuniform flowfield and a nonlinear acoustic wave propagation in such a medium, by the same scheme. By casting all the equations, boundary conditions, and the solution scheme in generalized curvilinear coordinates, the solutions were made possible for non-Cartesian domains and, for the better deployment of the grid points, nonuniform grid step sizes could be used. It has been tested for a number of simple initial-value and periodic-source problems. A simple demonstration of the difference between a linear and nonlinear propagation was conducted. The wall boundary condition, derived from the momentum equations and implemented through a pressure at a ghost point, and the radiation boundary condition, derived from the asymptotic solution to the Euler equations, have proven to be effective for the nonlinear equations and nonuniform flows. The nonreflective characteristic boundary conditions also have shown success but limited to the nonlinear waves in no mean flow, and failed for nonlinear waves in nonuniform flow.

Baysal, Oktay↗
DOE OSTI2022

Parametric Decay of Alfvénic Wave Packets in Nonperiodic Low-beta Plasmas

The parametric decay of finite-size Alfvén waves in nonperiodic low-beta plasmas is investigated using one-dimensional (1D) hybrid simulations. Compared with the usual small periodic system, a wave packet in a large system under the absorption boundary condition shows different decay dynamics, including reduced energy transfer, localized density cavitation, and ion heating. The resulting Alfvén wave dynamics are influenced by several factors relating to this instability, including the growth rate, central wave frequency, and unstable bandwidth. A final steady state of the wave packet may be achieved when the instability does not have enough time to develop within the residual packet, and the packet size shows well-defined scaling dependencies on the growth rate, wave amplitude, and plasma beta. Under the proper conditions, enhanced secondary decay can also be excited in the form of a narrow, amplified wave packet. These results may help to interpret laboratory and spacecraft observations of Alfvén waves, and to refine our understanding of the associated energy transport and ion heating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

Stability of a diffuse linear pinch with axial boundaries

A formulation of the stability behavior of a finite-length pinch is presented. A general initial perturbation is expressed as a uniformly convergent sum over a complete discrete k set. A variational calculation is then performed, based on the energy principle, in which the end-boundary conditions appear as constraints. The requisite Lagrange multipliers mutually couple the elemental periodic excitations. The resulting extended form of delta-W still admits a proper second-variation treatment so that the minimization and stability considerations of Newcomb remain applicable. Comparison theorems are discussed as is the relevance of this end-effect model to the stability of solar coronal loops.

Einaudi, G.↗
DOE OSTI2023

Thermodynamics of Light-Induced Nanoscale Polar Structures in Ferroelectric Superlattices

Here we study the thermodynamics of nanoscale polar structures in PbTiO 3 /SrTiO 3 ferroelectric superlattices induced by above-bandgap optical excitation using a phase-field model explicitly considering both structural and electronic processes. We demonstrate that the light-excited carriers provide the charge compensation of polarization bound charges and the lattice thermal energy, both of which are key to the thermodynamic stabilization of a previously observed supercrystal, a three dimensionally periodic nanostructure, within a window of substrate strains, while different mechanical and electrical boundary conditions can stabilize a number of other nanoscale polar structures by balancing the competing short-range exchange interactions responsible for the domain wall energy and longrange electrostatic and elastic interactions. The insights into the light-induced formation and richness of nanoscale structures from this work offer theoretical guidance for exploring and manipulating the thermodynamic stability of nanoscale polar structures employing a combination of thermal, mechanical, and electrical stimuli as well as light.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Towards Ab-Initio Simulations of Crystalline Defects at the Exascale Using Spectral Quadrature Density Functional Theory

Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase transitions in magnetic materials via disorder and doping. First principles Density Functional Theory (DFT) simulations can provide a detailed understanding of these phenomena. However, the number of atoms needed to correctly simulate these systems is often beyond the reach of many widely used DFT codes. The aim of this article is to discuss recent advances in first principles modeling of crystal defects using the spectral quadrature method. The spectral quadrature method is linear scaling with respect to the number of atoms, permits spatial coarse-graining, and is capable of simulating non-periodic systems embedded in a bulk environment, which allows the application of appropriate boundary conditions for simulations of crystalline defects. In this article, we discuss the state-of-the-art in ab-initio modeling of large metallic systems of the order of several thousand atoms that are suitable for utilizing exascale computing resourses.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Fluid flow and heat convection studies for actively cooled airframes

The work done during the progress report period from May-October 1992 is summarized. The effect of wall thermal boundary conditions on flows over a step or rib when repeated rib roughness is used for heating augmentation is examined. In numerical investigations of various such laminar and turbulent flows, the local heat transfer coefficients on a forward-facing step or on a rib were found to be very sensitive to the wall thermal boundary condition. For the computation of constant property laminar flow, the wall thermal boundary conditions were either a uniform heat flux or a uniform temperature. Results (Nusselt number and isotherms) of the studies are included. The second part of the work consisted of using PHOENICS to solve the conjugate heat transfer problem of flow over a rib in channel. Finally, the algebraic stress model in the TEAM (Turbulent Elliptic Algorithm-Manchester) code was tested for jet impingement flow, but there needs to be an addition of the energy equation to the code.

Mills, A. F.↗
NASA NTRS1988

Numerical simulation of the atmospheric response ito the time-varying El Nino SST anomalies during May 1982 through October 1983

An attempt is made to simulate the atmospheric circulation anomalies corresponding to the observed SST anomalies in the Pacific Ocean for the 18-month period of May 1982 through October 1983. A GCM is first integrated for 25 months with monthly climatological boundary conditions of SST, soil moisture, sea, ice, and albedo. Starting from day 165 of this 'control' integration, which corresponds to May 1, the 18-month integration is carried out with the same boundary conditions except that the observed monthly SST anomalies for May 1982-October 1983 are added to the climatological values in the Pacific from 40 S to 60 N. The evolution of the model-simulated circulation and rainfall anomalies are compared to actual observations for the same period, and remarkable agreement is found.

Fennessy, M. J.↗
DOE OSTI2021

Effect of slip on vortex shedding from a circular cylinder in a gas flow

Most studies of vortex shedding from a circular cylinder in a gas flow have explicitly or implicitly assumed that the no-slip condition applies on the cylinder surface. To investigate the effect of slip, vortex shedding is simulated using molecular gas dynamics (the direct simulation Monte Carlo method) and computational fluid dynamics (the incompressible Navier-Stokes equations with a slip boundary condition). A Reynolds number of 100, a Mach number of 0.3, and a corresponding Knudsen number of 0.0048 are examined. For these conditions, compressibility effects are small, and periodic laminar vortex shedding is obtained. Slip on the cylinder is varied using combinations of diffuse and specular molecular reflections with accommodation coefficients from zero (maximum slip) to unity (minimum slip). Although unrealistic, bounce-back molecular reflections are also examined because they approximate the no-slip boundary condition (zero slip). The results from both methods are in reasonable agreement. The shedding frequency increases slightly as the accommodation coefficient is decreased, and shedding ceases at low accommodation coefficients (large slip). The streamwise and transverse forces decrease as the accommodation coefficient is decreased. Based on the good agreement between the two methods, computational fluid dynamics is used to determine the critical accommodation coefficient below which vortex shedding ceases for Reynolds numbers of 60–100 at a Mach number of 0.3. Finally, conditions to observe the effect of slip on vortex shedding appear to be experimentally realizable, although challenging.

42 ENGINEERING↗
NASA NTRS1988

Chaos in a spatially-developing plane mixing layer

A spatially-developing plane mixing layer was analyzed for chaotic behavior. A direct numerical simulation of the Navier-Stokes equations in a 2-D domain infinite in y and having inflow-outflow boundary conditions in x was used for data. Spectra, correlation dimension and the largest Lyapunov exponent were computed as functions of downstream distance x. When forced at a single (fundamental) frequency with maximum amplitude, the flow is periodic at the inflow but becomes aperiodic with increasing x. The aperiodic behavior is caused by the presence of a noisy subharmonic caused by the feedback between the necessarily nonphysical inflow and outflow boundary conditions. In order to overshadow this noise the flow was also studied with the same fundamental forcing and added random forcing of amplitude upsilon prime sub R/delta U = 0.01 at the inlet. Results were qualitatively the same in both cases: for small x, spectral peaks were sharp and dimension was nearly 1, but as x increased a narrowband spectral peak grew, spectra decayed exponentially at high frequencies and dimension increased to greater than 3. Based on these results, the flow appears to exhibit deterministic chaos. However, at no location was the largest Lyapunov exponent found to be significantly greater than zero.

Broze, J. G.↗
DOE OSTI2020

Mesoscale to Microscale Simulations over Complex Terrain with the Immersed Boundary Method in the Weather Research and Forecasting Model

Improvements to the Weather Research and Forecasting (WRF) Model are made to enable multiscale simulations over highly complex terrain with dynamically downscaled boundary conditions from the mesoscale to the microscale. Over steep terrain, the WRF Model develops numerical errors that are due to grid deformation of the terrain-following coordinates. An alternative coordinate system, the immersed boundary method (IBM), has been implemented into WRF, allowing for simulations over highly complex terrain; however, the new coordinate system precluded nesting within mesoscale simulations using WRF’s native terrain-following coordinates. Here, the immersed boundary method and WRF’s grid-nesting framework are modified to seamlessly work together. This improved framework for the first time allows for large-eddy simulation over complex (urban) terrain with IBM to be nested within a typical mesoscale WRF simulation. Simulations of the Joint Urban 2003 field campaign in Oklahoma City, Oklahoma, are performed using a multiscale five-domain nested configuration, spanning horizontal grid resolutions from 6 km to 2 m. These are compared with microscale-only simulations with idealized lateral boundary conditions and with observations of wind speed/direction and SF 6 concentrations from a controlled release from intensive observation period 3. The multiscale simulation, which is configured independent of local observations, shows similar model skill predicting wind speed/direction and improved skill predicting SF 6 concentrations when compared with the idealized simulations, which require use of observations to set mean flow conditions. Use of this improved multiscale framework shows promise for enabling large-eddy simulation over highly complex terrain with dynamically downscaled boundary conditions from mesoscale models.

42 ENGINEERING↗
DOE OSTI2025

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗
NASA NTRS1980

Drag reduction effects in turbulent boundary layers over wavy walls

Two dimensional incompressible flow over wavy surfaces are analyzed numerically by spectral methods. Algorithms for periodic flows (Fourier modes in the periodic flow direction and Chebycheff modes in the normal direction), and inflow-outflow boundary conditions (Chebycheff modes used in both directions) are described. Results obtained using both codes are reported for laminar flows. Comparisons with known theoretical and experimental results are made.

Balasubramanian, R.↗
NASA NTRS1984

Numerical analysis of flow and heat transfer in the VAFB LOX storage Dewar tank

The present report describes numerical simulation of three-dimensional transient distributions of velocity and temperature of liquid oxygen (LOX) in the LOX Dewar tank of Vendenberg Air Force Base (VAFB). The present analyses cover the replenish time period only. Four test cases have been considered. For all four cases, the input boundary conditions are comprised of LOX facility heat loads, drain flow rates, recirculation flow rates and dewar heating. All the quantities are prescribed as functions of time. The first two test cases considered sensitivity of results to the computational grid. In Case 3, system heat load was changed, while in Case 4, a lower LOX level was specified. Cases 1 and 2 showed that the temperatures were not sensitive to the grid refinement. This provided a basic check on the numerical model. Cases 3 and 4 showed that the thermal boundary layer motion near the tank surface becomes more significant at the late time, e.g., 5 1/2 hours from replenish start. Comparison between results of Cases 3 and 4 showed, as expected, that the smaller initial LOX volume given in Case 4, results in higher temperature level. All calculated velocity and temperature distributions were found to be plausible.

Tam, L. T.↗
NASA NTRS2010

Regional Model Nesting Within GFS Daily Forecasts Over West Africa

The study uses the RM3, the regional climate model at the Center for Climate Systems Research of Columbia University and the NASA/Goddard Institute for Space Studies (CCSR/GISS). The paper evaluates 30 48-hour RM3 weather forecasts over West Africa during September 2006 made on a 0.5 grid nested within 1 Global Forecast System (GFS) global forecasts. September 2006 was the Special Observing Period #3 of the African Monsoon Multidisciplinary Analysis (AMMA). Archived GFS initial conditions and lateral boundary conditions for the simulations from the US National Weather Service, National Oceanographic and Atmospheric Administration were interpolated four times daily. Results for precipitation forecasts are validated against Tropical Rainfall Measurement Mission (TRMM) satellite estimates and data from the Famine Early Warning System (FEWS), which includes rain gauge measurements, and forecasts of circulation are compared to reanalysis 2. Performance statistics for the precipitation forecasts include bias, root-mean-square errors and spatial correlation coefficients. The nested regional model forecasts are compared to GFS forecasts to gauge whether nesting provides additional realistic information. They are also compared to RM3 simulations driven by reanalysis 2, representing high potential skill forecasts, to gauge the sensitivity of results to lateral boundary conditions. Nested RM3/GFS forecasts generate excessive moisture advection toward West Africa, which in turn causes prodigious amounts of model precipitation. This problem is corrected by empirical adjustments in the preparation of lateral boundary conditions and initial conditions. The resulting modified simulations improve on the GFS precipitation forecasts, achieving time-space correlations with TRMM of 0.77 on the first day and 0.63 on the second day. One realtime RM3/GFS precipitation forecast made at and posted by the African Centre of Meteorological Application for Development (ACMAD) in Niamey, Niger is shown.

Druyan, Leonard M.↗
NASA NTRS2011

Broken Ergodicity in MHD Turbulence in a Spherical Domain

Broken ergodicity (BE) occurs in Fourier method numerical simulations of ideal, homogeneous, incompressible magnetohydrodynamic (MHD) turbulence. Although naive statistical theory predicts that Fourier coefficients of fluid velocity and magnetic field are zero-mean random variables, numerical simulations clearly show that low-wave-number coefficients have non-zero mean values that can be very large compared to the associated standard deviation. In other words, large-scale coherent structure (i.e., broken ergodicity) in homogeneous MHD turbulence can spontaneously grow out of random initial conditions. Eigenanalysis of the modal covariance matrices in the probability density functions of ideal statistical theory leads to a theoretical explanation of observed BE in homogeneous MHD turbulence. Since dissipation is minimal at the largest scales, BE is also relevant for resistive magnetofluids, as evidenced in numerical simulations. Here, we move beyond model magnetofluids confined by periodic boxes to examine BE in rotating magnetofluids in spherical domains using spherical harmonic expansions along with suitable boundary conditions. We present theoretical results for 3-D and 2-D spherical models and also present computational results from dynamical simulations of 2-D MHD turbulence on a rotating spherical surface. MHD turbulence on a 2-D sphere is affected by Coriolus forces, while MHD turbulence on a 2-D plane is not, so that 2-D spherical models are a useful (and simpler) intermediate stage on the path to understanding the much more complex 3-D spherical case.

Shebalin, John V.↗