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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Interpretation of electromagnetic modes in the sub-TAE frequency range in JET plasmas with elevated monotonic q-profiles

Recent JET deuterium experiments with an advanced tokamak scenario using an internal transport barrier (ITB) have been performed to clearly observe destabilized toroidicity-induced Alfvén eigenmodes (TAEs) by fast ions; interestingly, these also exhibit unstable electromagnetic (EM) perturbations in the sub-TAE frequency range. We identify such EM perturbations to be beta-induced ion temperature gradient (BTG) eigenmodes and not beta-induced Alfvén eigenmodes nor beta-induced Alfvén acoustic eigenmodes, which are often unstable in such high-beta plasmas with high-power neutral beam injection (NBI). The BTG modes are the most unstable modes due to the high thermal ion temperature gradient related to the ITB, high thermal ion temperature compared to thermal electron temperature (high T i /T⁠ e ), and a high ion beta regime. BTG mode experimental characteristics match the analytical theory, i.e., location in the vicinity of a rational magnetic surface with a low magnetic shear, mode frequency scaling with the ion diamagnetic frequency (⁠ω$^*_i$⁠), and a coupling among Alfvén and drift waves. We also perform linear gyrokinetic simulations with validated plasma profiles and equilibrium, and find a mode kinetically driven by thermal ions with similar characteristics as the experimental BTG modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Concordance

Dimension reduction techniques have long been an important topic in statistics, and active subspaces (AS) have received much attention this past decade in the computer experiments literature. The most common approach towards estimating the AS is to use Monte Carlo with numerical gradient evaluation. This software takes a new approach towards estimating the active subspace, in which Multivariate Adaptive Regression Splines (MARS) is used as a surrogate model, and relevant calculation are obtained analytically. Using a MARS surrogate has many advantages including improved scaling, better estimation of active subspaces in high dimensions and the ability to handle a large number of prior distributions in closed form. This software is also capable of conducting a so-called "concordance analysis", using a generalization of ASs which we refer to as "Co-Active" subspaces.

Rumsey, Kelin↗
DOE OSTI2024

RhizoMAP: a comprehensive, nondestructive, and sensitive platform for metabolic imaging of the rhizosphere

Elucidating the intricate structural organization and spatial gradients of biomolecular composition within the rhizosphere is critical to understanding important biogeochemical processes, which include the mechanisms of root-microbe interactions for maintaining sustainable plant ecosystem services. While various analytical methods have been developed to assess the spatial heterogeneity within the rhizosphere, a comprehensive view of the fine distribution of metabolites within the root-soil interface has remained a significant challenge. This is primarily due to the difficulty of maintaining the original spatial organization during sample preparation without compromising its molecular content.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1976

Passive microwave mapping of ice thickness

Basic calculations are presented for evaluating the feasibility of a scanning microwave radiometer system for mapping the thickness of lake ice. An analytical model for the apparent brightness temperature as a function of ice thickness has been developed, and elaborated to include such variables as galactic and atmospheric noise, aspect angle, polarization, temperature gradient in the ice, the presence of transition layers such as snow, slush, and water, increased loss due to air inclusions in the ice layer, and the presence of multiple ice thicknesses within the antenna footprint. It was found that brightness temperature measurements at six or seven frequencies in the range of 0.4 to 0.7 GHz were required to obtain unambiquous thickness estimates. A number of data processing methods were examined. The effects of antenna beamwidth, scanning rate, receiver bandwidth, noise figure, and integration time were studied.

Apinis, J. J.↗
NASA NTRS1978

Dynamics of planetesimal formation and planetary accretion

The paper reviews the dynamical processes by which condensed matter in the solar nebula accumulates into planets. The basic processes are: (1) gravitational instability; (2) conversion of the radial gradient of orbital motion into random motion between planetesimals; and (3) collisions, which damp the random motion and result in aggregation and/or fragmentation of planetesimals. Each of these processes is defined analytically, and models, based on these results, of planetary growth, axial rotation rates, and formation of satellite systems are formulated.

Harris, A. W.↗
NASA NTRS1988

Model structure of a cosmic-ray mediated stellar or solar wind

An idealized hydrodynamic model is presented for the mediation of a free-streaming stellar wind by galactic cosmic rays or energetic particles accelerated at the stellar wind termination shock. The spherically-symmetric stellar wind is taken to be cold; the only body force is the cosmic ray pressure gradient. The cosmic rays are treated as a massless fluid with an effective mean diffusion coefficient k proportional to radial distance r. The structure of the governing equations is investigated both analytically and numerically. Solutions for a range of values of k are presented which describe the deceleration of the stellar wind and a transition to nearly incompressible flow and constant cosmic ray pressure at large r. In the limit of small k the transition steepens to a strong stellar wind termination shock. For large k the stellar wind is decelerated gradually with no shock transition. It is argued that the solutions provide a simple model for the mediation of the solar wind by interstellar ions as both pickup ions and the cosmic ray anomalous component which together dominate the pressure of the solar wind at large r.

Lee, M. A.↗
NASA NTRS1991

Thermal design of the Cosmic Background Explorer cryogenic optical assembly

The Cosmic Background Explorer (COBE) is a satellite which is designed to study the 3-K cosmic background radiation. Two cryogenic instruments and a common support structure comprise the Cryogenic Optical Assembly (COA). In order to make definitive measurements of the low-energy FIR radiation, the temperature of the COA must be maintained below 3 K. Temperature control of the COA elements is achieved by the use of a superfluid helium dewar. The thermal design also minimizes power dissipation, transient operational effects, and thermal gradients within the COA. This is accomplished by isolating selected components and heat-sinking others to various locations on the cryogen tank. The thermal design was developed primarily through analysis. Analytical models were created to perform parametric design studies. Ground testing was performed to correlate the thermal models and validate the thermal design. Both test and flight data confirmed that all design requirements were either met or exceeded.

Mosier, Carol L.↗
NASA NTRS1991

The structure of a passive scalar field with a uniform mean gradient in rapidly sheared homogeneous turbulent flow

The effect of an arbitrarily oriented mean passive scalar gradient on one-point passive scalar statistics is studied in homogeneous turbulent shear flow in the limit of rapid shearing. By neglecting the nonlinear inertial transfer to small scales an analytical solution for individual Fourier modes is obtained for the case of unity Prandtl number. This solution is used to compute the development of one-point statistics for the velocity and scalar fields in the inviscid limit. Comparisons to direct numerical simulations of the full nonlinear equations for the same flow show that, in addition to describing the early time response to the imposed shear, the linear solution gives reasonable estimates of several correlation coefficients for the developed shear flow.

Rogers, Michael M.↗
DOE OSTI2020

Computational modeling of charge hopping dynamics along a disordered one-dimensional wire with energy gradients in quantum environments

This computational study investigates the effects of energy gradients on charge hopping dynamics along a one-dimensional chain of discrete sites coupled to quantum bath, which is modeled at the level of Pauli master equation (PME). This study also assesses the performance of different approximations for the hopping rates. Three different methods for solving the PME, a fourth order Runge–Kutta method, numerical diagonalization of the rate matrix followed by analytic propagation, and kinetic Monte Carlo simulation method, are tested and confirmed to produce virtually identical values of time dependent mean square displacement, diffusion constant, and mobility. Five different rate expressions, exact numerical evaluation of Fermi’s Golden Rule (FGR) rate, stationary phase interpolation (SPI) approximation, semiclassical approximation, classical Marcus rate, and Miller–Abrahams rate, are tested to help understand the effects of approximations in representing quantum environments in the presence of energy gradients. The results based on direct numerical evaluation of FGR rate exhibit transition from diffusive to non-diffusive behavior with the increase in the gradient and show that the charge transport in the quantum bath is more sensitive to the magnitude of the gradient and the disorder than in the classical bath. Among all the four approximations for the hopping rates, the SPI approximation is confirmed to work best overall. A comparison of two different methods to calculate the mobility identifies drift motion of the population distribution as the major source of non-diffusive behavior and provides more reliable information on the contribution of quantum bath.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Mathematical and computational studies of equilibrium capillary free surfaces

The results of several independent studies are presented. The general question is considered of whether a wetting liquid always rises higher in a small capillary tube than in a larger one, when both are dipped vertically into an infinite reservoir. An analytical investigation is initiated to determine the qualitative behavior of the family of solutions of the equilibrium capillary free-surface equation that correspond to rotationally symmetric pendent liquid drops and the relationship of these solutions to the singular solution, which corresponds to an infinite spike of liquid extending downward to infinity. The block successive overrelaxation-Newton method and the generalized conjugate gradient method are investigated for solving the capillary equation on a uniform square mesh in a square domain, including the case for which the solution is unbounded at the corners. Capillary surfaces are calculated on the ellipse, on a circle with reentrant notches, and on other irregularly shaped domains using JASON, a general purpose program for solving nonlinear elliptic equations on a nonuniform quadrilaterial mesh. Analytical estimates for the nonexistence of solutions of the equilibrium capillary free-surface equation on the ellipse in zero gravity are evaluated.

Albright, N.↗
DOE OSTI2022

A finite micro-rotation material point method for micropolar solid and fluid dynamics with three-dimensional evolving contacts and free surfaces

This paper introduces an explicit material point method designed specifically for simulating the micropolar continuum dynamics in the finite deformation and finite microrotation regime. The material point method enables us to simulate large deformation problems while circumventing the potential mesh distortion without remeshing. To eliminate rotational motion damping and loss of angular momentum during the projection, we introduce the mapping for microinertia and angular momentum between particles and grids through the affine particle-in-cell approach. The microrotation and the curvature at each particle are updated through zero-order forward integration of the microgyration and its spatial gradient. We show that the microinertia and the angular momentum are conserved during the projections between particles and grids in our formulation. We verify the formulation and implementation by comparing with the analytical dispersion relation of micropolar waves under the small strain and small microrotation, as well as the analytical soliton solution for solids undergoing large deformation and large microrotation. Additionally we also demonstrate the capacity of the proposed computational framework to handle a wide spectrum of simulations that exhibit size effects in the geometrical nonlinear regime through three representative numerical examples, i.e., a cantilever beam torsion problem, a fragment-impact penetration problem, and a micropolar fluid discharging problem.

42 ENGINEERING↗
DOE OSTI2021

Advances and challenges in CO2 foam technologies for enhanced oil recovery in carbonate reservoirs

Utilization of surfactants for generating foam has the potential for fluid-mobility control during CO2 flooding processes, leading to improved oil recovery. This manuscript is a review of the most important aspects for the design of CO2-foams with mobility control in carbonate reservoirs, including recent advances in novel surfactants and analytical techniques for analysis of surfactant adsorption on carbonate minerals and their thermal stability. Several key parameters and properties regarding foam transport in porous media are reviewed such as, the minimum pressure gradient required for foam generation, the effects of the partition coefficient of a CO2-soluble surfactant on foam transport in rock cores, visualization of foam flow by either microfluidic or PET/CT imaging processes in heterogeneous or fractured systems and the effect of oil on foam transport under reservoir conditions. Also are discussed the most recent advances of two major foam modeling methods, including the semi-empirical STARS foam model and the population balance model, as well as CO2 foam pilot tests and the factors governing their successes.

Jian, Guoqing↗
DOE OSTI2024

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?

Recently developed locally scaled self-interaction correction (LSIC) is a one-electron SIC method that, when used with a ratio of kinetic energy densities (z σ ) as iso-orbital indicator, performs remarkably well for both thermochemical properties as well as for barrier heights overcoming the paradoxical behavior of the well-known Perdew–Zunger self-interaction correction (PZSIC) method. In this work, we examine how well the LSIC method performs for the delocalization error. Our results show that both LSIC and PZSIC methods correctly describe the dissociation of $H$$^{+}_{2}$ and $H$$^{+}_{2}$ but LSIC is overall more accurate than the PZSIC method. Likewise, in the case of the vertical ionization energy of an ensemble of isolated He atoms, the LSIC and PZSIC methods do not exhibit delocalization errors. For the fractional charges, both LSIC and PZSIC significantly reduce the deviation from linearity in the energy vs number of electrons curve, with PZSIC performing superior for C, Ne, and Ar atoms while for Kr they perform similarly. The LSIC performs well at the endpoints (integer occupations) while substantially reducing the deviation. The dissociation of LiF shows both LSIC and PZSIC dissociate into neutral Li and F but only LSIC exhibits charge transfer from Li + to F – at the expected distance from the experimental data and accurate ab initio data. Overall, both the PZSIC and LSIC methods reduce the delocalization errors substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Formation of the lamellar structure in Group IA and IIID iron meteorites

Analytical EM, light microscopy, and electron microprobe analysis are used to study the lamellar plessite structure of Group IA and IIID iron meteorites. The alpha lamellae in IIID structures contained a compositional gradient from 6.1 + or - 0.7 wt pct Ni at the center of the alpha lamellae to 3.6 + or - 0.5 wt pct at the alpha/gamma interface. For the Group IA irons, compositions of 4 wt pct Ni in alpha and about 48 wt pct Ni in gamma are found. Convergent beam electron diffraction was used to characterize the orientation relations at the alpha/gamma interface in the lamellar regions of both Group IA and IIID. The phase transformations responsible for the observed lamellar structure in the IA and IIID chemical groups were also investigated.

Kowalik, J. A.↗
NASA NTRS1990

Dentritic morphology and microsegregation in directionally solidified superalloy, PWA-1480, single crystal: Effect of gravity; center director's discretionary fund report

Primary dendrite spacings, secondary dendrite spacings, and microsegregation have been examined in PWA-1480 single crystal specimens which were directionally solidified during parabolic maneuvers on the KC-135 aircraft. Experimentally observed growth rate and thermal gradient dependence of primary dendrite spacings are in good agreement with predictions from dendrite growth models for binary alloys. Secondary dendrite coarsening kinetics show a reasonable fit with the predictions from an analytical model proposed by Kirkwood for a binary alloy. The partition coefficients of tantalum, titanium, and aluminum are observed to be less than unity, while that for tungsten and cobalt are greater than unity. This is qualitatively similar to the nickel base binaries. Microsegregation profiles experimentally observed for PWA-1480 superalloy show a good fit with Bower, Brody, and Flemings model developed for binary alloys. Transitions in gravity levels do not appear to affect primary dendrite spacings. A trend of decreased secondary arm spacings with transition from high gravity to the low gravity period was observed at a growth speed of 0.023 cm s(exp -1). However, definite conclusions can only be drawn by experiments at lower growth speeds which make it possible to examine the side-branch coarsening kinetics over a longer duration. Such experiments, not possible due to the insufficient low-gravity time of the KC-135, may be carried out in the low-gravity environment of space.

Tewari, S. N.↗
NASA NTRS1978

An improved analytical model of the separated region on nozzle boattails

A viscous flow calculation is formulated for modelling the effects of separated, reverse flow regions on nozzle afterbody pressures and drags at subsonic Mach numbers. A discriminating streamline approach is used. Effects of skin friction, axial pressure gradient, and nozzle jet entrainment on the separated discriminating streamline shape are included. The viscous flow calculation is coupled to a potential flow calculation. The combined analysis is found to accurately predict both the magnitude of the measured afterbody pressures and drag, and also their variation with Reynolds number, Mach number and afterbody shape.

Presz, W. M., Jr.↗
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 OSTI2021

Trends in Spitzer Secondary Eclipses

It is well established that the magnitude of the incident stellar flux is the single most important factor in determining the day–night temperature gradients and atmospheric chemistries of short-period gas giant planets. However, it is likely that other factors, such as planet-to-planet variations in atmospheric metallicity, C/O ratio, and cloud properties, also contribute to the observed diversity of infrared spectra for this population of planets. In this study, we present new 3.6 and 4.5 μm secondary eclipse measurements for five transiting gas giant planets: HAT-P-5b, HAT-P-38b, WASP-7b, WASP-72b, and WASP-127b. We detect eclipses in at least one bandpass for all five planets and confirm circular orbits for all planets except WASP-7b, which shows evidence for a nonzero eccentricity. Building on the work of Garhart et al., we place these new planets into a broader context by comparing them with the sample of all planets with measured Spitzer secondary eclipses. We find that incident flux is the single most important factor for determining the atmospheric chemistry and circulation patterns of short-period gas giant planets. Although we might also expect surface gravity and host star metallicity to play a secondary role, we find no evidence for correlations with either of these two variables.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗