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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 181 records · Page 10

Influence of drift flow turbulence on surface gravity wave propagation

The theory of surface gravity waves scattering at vortex flows in the ocean is developed in this paper. A scattering amplitude is found in the Born approximation as a function of Vorticity that appears very convenient for investigation of scattering at simple localized flows.

drift flow turbulence↗

Coherent Effects in Microwave Backscattering Models for Forest Canopies

In modeling forest canopies, several scattering mechanisms are taken into account: 1) volume scattering, 2) surface-volume interaction, and 3) surface scattering from forest floor. Depending on the structural and dielectric characteristics of forest canopies, the relative contribution of each mechanism in the total backscatter signal of an imaging radar can vary. In this paper, two commonly used first order discrete scattering models, Distorted Born Approximation (DBA) and Radiative Transfer (RT) are used to simulate the backscattered power received by polarimetric radars at P-, L-, and C-bands over coniferous and deciduous forests. The difference between the two models resides on the coherent effect in the surface-volume interaction terms.

Microwave Backscattering Models↗

Formation of Triplet Positron-helium Bound State by Stripping of Positronium Atoms in Collision with Ground State Helium

Formation of triplet positron-helium bound state by stripping of positronium atoms in collision with ground state helium JOSEPH DI RlENZI, College of Notre Dame of Maryland, RICHARD J. DRACHMAN, NASA/Goddard Space Flight Center - The system consisting of a positron and a helium atom in the triplet state e(+)He(S-3)(sup e) was conjectured long ago to be stable [1]. Its stability has recently been established rigorously [2], and the values of the energies of dissociation into the ground states of Ps and He(+) have also been reported [3] and [4]. We have evaluated the cross-section for this system formed by radiative attachment of a positron in triplet He state and found it to be small [5]. The mechanism of production suggested here should result in a larger cross-section (of atomic size) which we are determining using the Born approximation with simplified initial and final wave functions.

Drachman, Richard J.↗

A Model for Backscattering from Quasi Periodic Corn Canopies at L-Band

In this study, a model for backscattering at L-band from a corn canopy is proposed. The canopy consists of a quasi-periodic distribution of stalks and a random distribution of leaves. The Distorted Born Approximation (DBA) is employed to calculate the single scattered return from the corn field. The new feature of the method is that the coherence of the stalks in the row direction is incorporated in the model in a systematic fashion. Since the wavelength is on the order of the distance between corn stalks in a row, grating lobe behavior is observed at certain azimuth angles of incidence. The results are compared with experimental values measured in Huntsville, Alabama in 1998. The mean field and the effective dielectric constant of the canopy are obtained by using the Foldy approximation. The stalks are placed in the effective medium in a two dimensional lattice to simulate the row structure of a corn field. In order to mimic a real corn field, a quasi-periodic stalk distribution is assumed where the stalks are given small random perturbations about their lattice locations. Corn leaves are also embedded in the effective medium and the backscattered field from the stalks and the leaves is computed. The backscattering coefficient is calculated and averaged over successive stalk position perturbations. It is assumed that soil erosion has smoothed the soil sufficiently so that it can be assumed flat. Corn field backscatter data was collected from cornfields during the Huntsville 98 experimental campaign held at Alabama A&M University Research Station, Huntsville, Alabama in 1998 using the NASA/GW truck mounted radar. Extensive ground truth data was collected. This included soil moisture measurements and corn plant architectural data to be used in the model. In particular, the distances between the stalks in a single row have been measured. The L-band radar backscatter data was collected for both H and V polarizations and for look angles of 15o and 45o over a two week period under varying soil moisture conditions. These measured backscattering values will be compared with the model backscattering values and a discussion of the results will be presented.

Lang, R.↗

Differences Between the HUT Snow Emission Model and MEMLS and Their Effects on Brightness Temperature Simulation

Microwave emission models are a critical component of snow water equivalent retrieval algorithms applied to passive microwave measurements. Several such emission models exist, but their differences need to be systematically compared. This paper compares the basic theories of two models: the multiple-layer HUT (Helsinki University of Technology) model and MEMLS (Microwave Emission Model of Layered Snowpacks). By comparing the mathematical formulation side-by-side, three major differences were identified: (1) by assuming the scattered intensity is mostly (96) in the forward direction, the HUT model simplifies the radiative transfer (RT) equation into 1-flux; whereas MEMLS uses a 2-flux theory; (2) the HUT scattering coefficient is much larger than MEMLS; (3 ) MEMLS considers the trapped radiation inside snow due to internal reflection by a 6-flux model, which is not included in HUT. Simulation experiments indicate that, the large scattering coefficient of the HUT model compensates for its large forward scattering ratio to some extent, but the effects of 1-flux simplification and the trapped radiation still result in different T(sub B) simulations between the HUT model and MEMLS. The models were compared with observations of natural snow cover at Sodankyl, Finland; Churchill, Canada; and Colorado, USA. No optimization of the snow grain size was performed. It shows that HUT model tends to under estimate T(sub B) for deep snow. MEMLS with the physically-based improved Born approximation performed best among the models, with a bias of -1.4 K, and an RMSE of 11.0 K.

Pan, Jinmei↗

Development of a Coherent Bistatic Vegetation Model for Signal of Opportunity Applications at VHF UHF-Bands

A coherent bistatic vegetation scattering model, based on a Monte Carlo simulation, is being developed to simulate polarimetric bi-static reflectometry at VHF/UHF-bands (240-270 MHz). The model is aimed to assess the value of geostationary satellite signals of opportunity to enable estimation of the Earth's biomass and root-zone soil moisture. An expression for bistatic scattering from a vegetation canopy is derived for the practical case of a ground-based/low altitude platforms with passive receivers overlooking vegetation. Using analytical wave theory in conjunction with distorted Born approximation (DBA), the transmit and receive antennas effects (i.e., polarization, orientation, height, etc.) are explicitly accounted for. Both the coherency nature of the model (joint phase and amplitude information) and the explicit account of system parameters (antenna, altitude, polarization, etc) enable one to perform various beamforming techniques to evaluate realistic deployment configurations. In this paper, several test scenarios will be presented and the results will be evaluated for feasibility for future biomass and root-zone soil moisture application using geostationary communication satellite signals of opportunity at low frequencies.

UFH↗

Development of Spaceborne SoOp Reflectometry Model for Complex Terrains

Following the launch of multiple global navigation satel-lite system (GNSS) reflectometry (GNSS-R) missions, theSignals of Opportunity (SoOp) method has proven to be apowerful tool for geophysical parameter retrieval for land ap-plications such as soil moisture. Having demonstrated thefeasibility of the SoOp techniques at P- and S-band, the devel-opment of SoOp measurements beyond the GNSS frequencyregime is highly anticipated. The SoOp Coherent Bistatic(SCoBi) model and simulator, developed in 2017 and open-sourced in 2018, has been made available to provide multi-frequency, fully polarimetric SoOp simulations for ground-based applications through the joint use of analytical wavetheory and distorted Borne approximation to evaluate landcontributions from multilayer dielectric profiles composed ofsoil moisture, vegetation, and surface roughness effects. Thispaper describes the advancement of SCoBi from a ground-and airborne-based model to a spaceborne model. This ex-tension allows for fully polarimetric, complex delay-Dopplermap (DDM) simulations through evaluation of the coherentsuperposition of electric fields emerging from a grid of ori-ented facets. The model generates a grid of facets by de-termining the geometry of contributing elements from digitalelevation models, with each element providing its contribu-tion under a flat-earth assumption. This module will enablethe analysis of fully polarimetric scattering from frequenciesavailable across the ultra-high frequency (UHF) regime.

D R Boyd↗

Active/Passive Remote Sensing of a Mature Soybean Canopy at L-band

This paper reports on development of a scattering model of a soybean canopies at L-band. The scattering model will be used for active and passive remote sensing of soybean plants with an emphasis on mature soybeans where the presence of pods is important to the observed microwave signal. The active problem is treated using the Distorted Born Approximation (DBA) and the passive problem is analyzed using Peake's method. These results are compared with field measurements made in 2012 by the truck-mounted ComRAD system, which is a combined radar and radiometer instrument operating at L-band. Investigation of backscatter from the soybean canopy shows good agreement between the radar measurement data and modeling results. The results also indicate that the L-band radar backscatter can be used to monitor both the soil moisture and the growth of the soybean pods. Past passive modeling efforts have not considered soybeans late in the growing season when pods are important. A new passive radiation model of soybean canopy will be developed based on the backscatter model.

Yiwen Zhou↗

Low-Energy Electron Impact Excitation of the (010) Bending Mode of CO2

Low-energy electron impact excitation of the fundamental modes of CO2 has been extensively studied, both experimentally and theoretically. Much attention has been paid to the virtual state feature in the the (100) mode excitation and the (sup 2)II(sub upsilon) resonance feature around 3.8 eV, which is observable in all three fundamental modes. For the excitation of the (010) mode away from the resonance region, the Born dipole approximation was generally considered adequate. The present study employs the Born dipole approximation to treat the long range interaction and the Schwinger multichannel method for the short range interaction. The roles of the two interaction potentials will be compared.

Huo, Winifred M.↗

Analytic models of electron impact excitation cross sections.

A number of analytic forms are presented which have been used to represent electron impact excitation cross sections all the way from threshold to the high energy domain where they join approximately to the results of the Born-Bethe approximation. Techniques for estimating the parameters in these analytic forms are described in detail so that the reader can update his own parameter set when new experimental information becomes available. A short collection of parameters for excitations to key states of N2, O2 and O is given along with references to sources where more complete sets are available. The importance of analytic models as a means of communication to aeronomical users of cross sections is discussed.

Green, A. E. S.↗

Stable isotope equilibria in the dihydrogen-water-methane-ethane-propane system. Part 1: Path-integral calculations with CCSD(T) quality potentials

Isotopic compositions of alkanes are typically assumed to be kinetically controlled, but recently is has been proposed that alkanes can isotopically equilibrate for both C and H isotopes during natural gas generation. Evaluation of this requires knowledge of the isotopic equilibrium between alkanes and other common hydrogen and carbon bearing species. Here, in this study, we calculate isotopic equilibria within and between gaseous dihydrogen (H 2 ), water (H 2 O), methane (CH 4 ), ethane (C 2 H 6 ) and propane (C 3 H 8 ), including isotope fractionation among molecules, clumped isotope effects, as well as among sites of propane (i.e., the site-specific isotope effects) from 0°C to 500°C using a path-integral method paired with high-level descriptions of molecular potentials and the diagonal correction to the Born Oppenheimer approximation. While path-integral calculations with high- level CCSD(T) potentials are available for the isotopic equilibria involving methane, the path-integral calculations for ethane and propane have only been performed based on lower-level descriptions of the molecular potentials. We analyze the relative importance of various approximations that are commonly employed when isotopic equilibria are evaluated. We find that clumped isotope effects can be calculated to the same accuracy using computationally inexpensive combination of the Bigeleisen-Mayer-Urey model with the molecular potential from density functional theory. In contrast, fractionation and site preferences of both deuterium and carbon-13 benefit from the use of the higher level CCSD(T) potentials and accounting for anharmonic effects. Additionally, for fractionation and site preference of deuterium corrections to Born-Oppenheimer approximation can also be important.

03 NATURAL GAS↗

Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential

Here, we perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ( 3 CH 2 , 2 CH$^{•}_{3}$, 3 O 2 ) going beyond the Born–Oppenheimer approximation and accounting for nuclear motion. According to a phase space approach that parameterizes electronic states (|Φ⟩) and electronic energies (E) by nuclear position and momentum [i.e., |Φ(R, P)⟩ and E(R, P)], we find that the presence of degenerate spin degrees of freedom leads to broken symmetry ground states. More precisely, rather than a single degenerate minimum at (R, P) = (R min , 0), the ground state energy has two minima at (R,P)=(R' min ,±P min ) (where R' min is close to R min ), dramatically contradicting the notion that the total energy of the system can be written in separable form as E = $\frac{P^2}{2M}$ + V el . Although we find that the broken symmetry solutions have small barriers between them for the small molecules, we hypothesize that the barriers should be macroscopically large for metallic solids, thus offering up a new phase-space potential energy surface for simulating the Einstein–de Haas effect.

Berry connection↗

Variationally consistent approximation scheme for charge transfer

The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.

Halpern, A. M.↗

Shadow molecular dynamics for flexible multipole models

Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. Shadow molecular dynamics simulations are driven by approximate “shadow” Born–Oppenheimer potentials for which the exact charges and forces are directly accessible without relying on costly (and approximate) iterative solvers. While previous implementations have been limited to atomic monopole charge distributions, we extend this approach to flexible multipole models. We derive detailed expressions for the shadow energy functions, potentials, and force terms, explicitly incorporating monopole–monopole, dipole–monopole, and dipole–dipole interactions. In our formulation, both atomic monopoles and atomic dipoles are treated as extended dynamical variables alongside the propagation of the nuclear degrees of freedom. We demonstrate that introducing the additional dipole degrees of freedom preserves the stability and accuracy previously seen in monopole-only shadow molecular dynamics simulations. In addition, we present a shadow molecular dynamics scheme where the monopole charges are held fixed while the dipoles remain flexible. Our extended shadow dynamics provide a framework for stable, computationally efficient, and versatile molecular dynamics simulations involving long-range interactions between flexible multipoles. This is of particular current interest in combination with machine-learned interatomic potentials, including long-range electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Semiclassical approximation for electron impact excitation of hydrogenic ions

The threshold behavior of the electron impact excitation cross sections for hydrogenic ions is investigated using the semiclassical approximation with the hyperbolic orbit for the projectile path, rather than the straight line path. The symmetric approximation is applied to modify the ordinary hyperbolic orbit. The modification factor due to the hyperbolic orbit approximation produces the correct energy dependence of the cross section near the excitation threshold. This result is very similar to that of the quantum mechanical case. The semiclassical enhancement factor due to this simple modification corresponds to the Coulomb focusing factor in the Born-Bethe approximation. In the high-energy limit, the semiclassical cross sections approach the Born-Bethe cross sections, with a finite cutoff in the momentum transfer for dipole transitions.

Jung, Young-Dae↗