Search NASA⌕ Search

SEARCH · Search NASA

Results for “Dipole approximation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantum Control Landscapes Beyond the Dipole Approximation: Controllability, Singular Controls, and Resources

We investigate the control landscapes of closed n-level quantum systems beyond the dipole approximation by including a polarizability term in the Hamiltonian. The latter term is quadratic in the control field. Theoretical analysis of singular controls is presented, which are candidates for producing landscape traps. The results for considering the presence of singular controls are compared to their counterparts in the dipole approximation (i.e., without polarizability). A numerical analysis of the existence of traps in control landscapes for generating unitary transformations beyond the dipole approximation is made upon including the polarizability term. An extensive exploration of these control landscapes is achieved by creating many random Hamiltonians which include terms linear and quadratic in a single control field. The discovered singular controls are all found not to be local optima. This result extends a great body of recent work on typical landscapes of quantum systems where the dipole approximation is made. We further investigate the relationship between the magnitude of the polarizability and the fluence of the control resulting from optimization. It is also shown that including a polarizability term in an otherwise uncontrollable dipole coupled system removes traps from the corresponding control landscape by restoring controllability. We numerically assess the effect of a polarizability term on a known example of a particular three-level Λ-system with a second order trap in its control landscape. It is found that the addition of the polarizability removes the trap from the landscape. The general practical control implications of these simulations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

Herein we present three schemes to go beyond the electric-dipole approximation in x-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light–matter interaction operator and the two others on a truncated interaction within the Coulomb gauge (velocity representation) and multipolar gauge (length representation). We generalize the derivation of the multipolar gauge to an arbitrary expansion point and show that the potentials corresponding to different expansion points are related by a gauge transformation, provided that the expansion is not truncated. This suggests that the observed gauge-origin dependence in the multipolar gauge is more than just a finite-basis set effect. The simplicity of the relativistic formalism enables arbitrary-order implementations of the truncated interactions, with and without rotational averaging, allowing us to test their convergence behavior numerically by comparison to the full formulation. We confirm the observation that the oscillator strength of the electric-dipole allowed ligand K -edge transition of TiCl 4 , when calculated to the second order in the wave vector, becomes negative but also show that inclusion of higher-order contributions allows convergence to the result obtained using the full light–matter interaction. However, at higher energies, the slow convergence of such expansions becomes dramatic and renders such approaches at best impractical. When going beyond the electric-dipole approximation, we therefore recommend the use of the full light–matter interaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2022

Implementation of a Discrete Dipole Approximation Scattering Database into Community Radiative Transfer Model

The Community Radiative Transfer Model (CRTM) is a fast model that requires bulk optical properties of hydrometeors in the form of lookup tables to simulate all-sky satellite radiances. Current cloud scattering lookup tables of CRTM were generated using the Mie-Lorenz theory thus assuming spherical shapes for all frozen habits, while actual clouds contain frozen hydrometeors with different shapes. The Discrete Dipole Approximation (DDA) technique is an effective technique for simulating the optical properties of non-spherical hydrometeors in the microwave region. This paper discusses the implementation and validation of a comprehensive DDA cloud scattering database into CRTM for the microwave frequencies. The original DDA database assumes total random orientation in the calculation of single scattering properties. The mass scattering parameters required by CRTM were then computed from single scattering properties and water content dependent particle size distributions. The new lookup tables eliminate the requirement for providing the effective radius as input to CRTM by using the cloud water content for the mass dimension. A collocated dataset of short-term forecasts from Integrated Forecast System of the European Centre for Medium-Range Weather Forecasts and satellite microwave data was used for the evaluation of results. The results overall showed that the DDA lookup tables, in comparison with the Mie tables, greatly reduce the differences among simulated and observed values. The Mie lookup tables especially introduce excessive scattering for the channels operating below 90 GHz and low scattering for the channels above 90 GHz.

Discrete dipole↗
NASA NTRS1993

Beyond Clausius-Mossotti - Wave propagation on a polarizable point lattice and the discrete dipole approximation

We derive the dispersion relation for electromagnetic waves propagating on a lattice of polarizable points. From this dispersion relation we obtain a prescription for choosing dipole polarizabilities so that an infinite lattice with finite lattice spacing will mimic a continuum with dielectric constant. The discrete dipole approximation is used to calculate scattering and absorption by a finite target by replacing the target with an array of point dipoles. We compare different prescriptions for determining the dipole polarizabilities. We show that the most accurate results are obtained when the lattice dispersion relation is used to set the polarizabilities.

Draine, B. T.↗
DOE OSTI2021

Spin Emitters beyond the Point Dipole Approximation in Nanomagnonic Cavities

Control over transition rates between spin states of emitters is crucial in a wide variety of fields ranging from quantum information science to the nanochemistry of free radicals. We present an approach to drive both electric and magnetic dipole-forbidden transitions of a spin emitter by placing it in a nanomagnonic cavity, requiring a description of both the spin emitter beyond the point dipole approximation and the vacuum magnetic fields of the nanomagnonic cavity with a large spatial gradient over the volume of the spin emitter. We specifically study the silicon vacancy (SiV – ) defect in diamond, whose Zeemansplit ground states comprise a logical qubit for solid-state quantum information processing, coupled to a magnetic nanoparticle serving as a model nanomagnonic cavity capable of concentrating microwave magnetic fields into deeply subwavelength volumes. Through first-principles modeling of the SiV – spin orbitals, we calculate the spin transition densities of magnetic dipole-allowed and -forbidden transitions and calculate their coupling rates to various multipolar modes of the nanomagnonic cavity. We envision using such a framework for manipulation of quantum spin states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Revisiting the Hail Radar Reflectivity–Kinetic Energy Flux Relation by Combining T-Matrix and Discrete Dipole Approximation Calculations to Size Distribution Observations

The retrieval of hail kinetic energy with weather radars or its simulation in numerical models is challenging because of the shape complexity and variable density of hailstones. We combine 3D scans of individual hailstones with measurements of the particle size distributions (PSD) and T-matrix calculations to understand how hail reflectivity Z changes when approximating hailstones as spheroids, as compared to the realistic shapes obtained by 3D scanning technology. Additionally, recent terminal velocity relations are used to compare Z to the hail kinetic energy flux E ˙ . We parameterize the hail backscattering cross sections at L, S, C, and X bands as a function of size between 0.5 and 5.0 cm, matching the range of the observed PSDs. The scattering calculations use the T-matrix method for size parameters below 1.0 and the discrete dipole approximation (DDA) method otherwise. The DDA calculations are done for 48 digital models of realistic hailstones of sizes between 1 and 5 cm. The DDA cross sections are calculated for multiple orientations and averaged assuming a fully random orientation distribution to provide a single value per hailstone. The T-matrix reflectivity assuming solid ice spheres presents negligible differences to DDA results for size parameters below 1.0. Therefore, T matrix was used to fill in the gaps left by the DDA calculations. The results are mapped to the same size bins of the observed PSDs, allowing the calculation of the radar reflectivity. This is then correlated to E ˙ , allowing a potential improvement of past retrieval methods of E ˙ from Z in multiple wavelengths.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Model of Jovian F region ionosphere (Saturnian ionosphere in offset dipole approximation)

Researchers investigated the offset effect of Saturn's dipole on its ionosphere. The magnetic field of Saturn is primarily that of a dipole closely aligned to the rotational axis, but displaced northward from the center by a distance approximately equal to 0.05 R sub S, R sub S being the reference radius of Saturn. This offset effect would manifest itself most prominently between the ionospheric profiles in the Northern and Southern Hemispheres of Saturn.

Tan, A.↗
NASA NTRS1990

Model of Jovian F region ionosphere (Jovian ionosphere model in offset dipole approximation)

The geomagnetic control of the Earth's atmosphere is well understood. In the F-region and the topside ionosphere, non-electrical forces transport plasma along the magnetic field lines only. In consequence, the worldwide distribution of ionization is strongly dependent on the dip angle. For example, the equatorial anomaly is roughly symmetrical about the dipole equator rather than the geographic. The same appears to be the case in the Jovian ionosphere (Mahajan, 1981). The influence of the magnetic field of Jupiter on its ionization pattern is one of several outstanding topics which need to be studied. Tan (1986) investigated the formation of the equatorial anomaly in the Jovian ionosphere under a centered dipole model. Tan (1988) further studied the effect of the tilt of the Jovian dipole. The results were in broad agreement with those of a diffusive equilibrium model (Tan and Wu, 1981). An off-centered dipole model is constructed and its effects on the ionization pattern are investigated.

Tan, A.↗
DOE OSTI2020

Optical properties of Platonic clusters of plasmonic nanoparticles

In the framework of the dipole approximation, we have developed a model of optical properties of a meta-atom consisting of spherical nanoparticles located at the vertices of Platonic solids. Based on the model, we have found and analysed the dynamics of changes in the optical spectra with a change in the length of the edge of a polyhedron. We have observed strong hybridisation and splitting of initially degenerate modes of individual nanoparticles. The obtained results can be used as the basis for the development of an optical nanosensor, which can determine the change in the chemical and biological composition of the environment. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Extinction efficiencies from DDA calculations solved for finite circular cylinders and disks

One of the most commonly noted uncertainties with respect to the modeling of cirrus clouds and their effect upon the planetary radiation balance is the disputed validity of the use of Mie scattering results as an approximation to the scattering results of the hexagonal plates and columns found in cirrus clouds. This approximation has historically been a kind of default, a result of the lack of an appropriate analytical solution of Maxwell's equations to particles other than infinite cylinders and spheroids. Recently, however, the use of such approximate techniques as the Discrete Dipole Approximation has made scattering solutions on such particles a computationally intensive but feasible possibility. In this study, the Discrete Dipole Approximation (DDA) developed by Flatau (1992) is used to find such solutions for homogeneous, circular cylinders and disks. This can serve to not only assess the validity of the current radiative transfer schemes which are available for the study of cirrus but also to extend the current approximation of equivalent spheres to an approximation of second order, homogeneous finite circular cylinders and disks. The results will be presented in the form of a single variable, the extinction efficiency.

Withrow, J. R.↗
NASA NTRS1996

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.↗
NASA NTRSDate not supplied

Enhancing Radiative Transfer Models for Optimized Assimilation of Microwave and Radar Observations

Radiative transfer models are extensively used for the assimilation of satellite observations into NWP models as well as retrieving geophysical products from satellite measurements. The Community Radiative Transfer Model (CRTM) is a community model developed by NOAA JCSDA and widely used for different purposes requiring RT calculations. CRTM requires bulk optical properties of hydrometeors in the form of lookup tables in order to perform all-sky RT calculations. However, the current cloud scattering lookup tables in CRTM assume spherical shapes for all frozen hydrometeors, whereas actual clouds contain frozen particles with diverse shapes. The first part of this talk presents the implementation and validation of a comprehensive Discrete Dipole Approximation (DDA) cloud scattering database into CRTM, specifically targeting microwave frequencies. The DDA technique proves effective in simulating the optical properties of non-spherical hydrometeors in the microwave region. The original DDA database assumes total random orientation in calculating single scattering properties. To generate the required mass scattering parameters for CRTM, the single scattering properties and water content dependent particle size distributions are used. The evaluation of results involved a collocated dataset comprising short-term forecasts from the Integrated Forecast System of the European Center for Medium-Range Weather Forecasts and satellite microwave data. The findings demonstrate that the DDA lookup tables significantly reduce discrepancies between simulated and observed values when compared to the Mie tables. Passive instruments lack the ability to provide vertically resolved measurements of clouds and precipitation, which can be obtained by active radar instruments. However, incorporating these active measurements into data assimilation systems presents challenges due to the absence of fast forward radiative transfer models and difficulties in error modeling. The second part of the talk focuses on the development, evaluation, and sensitivity analysis of a forward radar model integrated into CRTM. The forward radar model utilizes scattering properties obtained from hydrometeor lookup tables generated using the discrete dipole approximation. By utilizing CRTM instrument-specific coefficients, the model can calculate both reflectivity and attenuated reflectivity for any given radar instrument and zenith angles. Evaluation using CloudSat measurements demonstrates a strong agreement between simulations and observations when the input profiles of hydrometeors align with the measured reflectivity profiles.

Isaac Moradi↗
NASA NTRSDate not supplied

Optimizing Assimilation of Microwave and Radar Observations in the NWP Models

Radiative transfer models are extensively used for the assimilation of satellite observations into NWP models as well as retrieving geophysical products from satellite measurements. The Community Radiative Transfer Model (CRTM) is a community model developed by NOAA JCSDA and widely used for different purposes requiring RT calculations. CRTM requires bulk optical properties of hydrometeors in the form of lookup tables in order to perform all-sky RT calculations. However, the current cloud scattering lookup tables in CRTM assume spherical shapes for all frozen hydrometeors, whereas actual clouds contain frozen particles with diverse shapes. The first part of this talk presents the implementation and validation of a comprehensive Discrete Dipole Approximation (DDA) cloud scattering database into CRTM, specifically targeting microwave frequencies. The DDA technique proves effective in simulating the optical properties of non-spherical hydrometeors in the microwave region. The original DDA database assumes total random orientation in calculating single scattering properties. To generate the required mass scattering parameters for CRTM, the single scattering properties and water content dependent particle size distributions are used. The evaluation of results involved a collocated dataset comprising short-term forecasts from the Integrated Forecast System of the European Center for Medium-Range Weather Forecasts and satellite microwave data. The findings demonstrate that the DDA lookup tables significantly reduce discrepancies between simulated and observed values when compared to the Mie tables. Passive instruments lack the ability to provide vertically resolved measurements of clouds and precipitation, which can be obtained by active radar instruments. However, incorporating these active measurements into data assimilation systems presents challenges due to the absence of fast forward radiative transfer models and difficulties in error modeling. The second part of the talk focuses on the development, evaluation, and sensitivity analysis of a forward radar model integrated into CRTM. The forward radar model utilizes scattering properties obtained from hydrometeor lookup tables generated using the discrete dipole approximation. By utilizing CRTM instrument-specific coefficients, the model can calculate both reflectivity and attenuated reflectivity for any given radar instrument and zenith angles. Evaluation using CloudSat measurements demonstrates a strong agreement between simulations and observations when the input profiles of hydrometeors align with the measured reflectivity profiles.

Isaac Moradi↗