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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Point charge representation of multicenter multipole moments in calculation of electrostatic properties

Distributed Point Charge Models (PCM) for CO, (H2O)2, and HS-SH molecules have been computed from analytical expressions using multi-center multipole moments. The point charges (set of charges including both atomic and non-atomic positions) exactly reproduce both molecular and segmental multipole moments, thus constituting an accurate representation of the local anisotropy of electrostatic properties. In contrast to other known point charge models, PCM can be used to calculate not only intermolecular, but also intramolecular interactions. Comparison of these results with more accurate calculations demonstrated that PCM can correctly represent both weak and strong (intramolecular) interactions, thus indicating the merit of extending PCM to obtain improved potentials for molecular mechanics and molecular dynamics computational methods.

Non-NASA Center↗
NASA NTRS1973

The relativistic dynamics of a point charge in the field of a plane electromagnetic wave traveling in the direction of a uniform static magnetic field

The motion of a charged particle in electromagnetic fields of various geometric configurations and arising from a variety of sources is of intrinsic interest in electromagnetic theory. The particular configuration consisting of a plane wave propagating in the presence of a static uniform magnetic field whose direction is parallel to the wave normal is examined. The analysis presented here is treated within the context of classical electromagnetic theory. A numerical solution - at least to the approximate Lorentz-Dirac equation - is obtained.

Mitchell, T. P.↗
NASA NTRS1987

Electric field mill network products to improve detection of the lightning hazard

An electric field mill network has been used at Kennedy Space Center for over 10 years as part of the thunderstorm detection system. Several algorithms are currently available to improve the informational output of the electric field mill data. The charge distributions of roughly 50 percent of all lightning can be modeled as if they reduced the charged cloud by a point charge or a point dipole. Using these models, the spatial differences in the lightning induced electric field changes, and a least squares algorithm to obtain an optimum solution, the three-dimensional locations of the lightning charge centers can be located. During the lifetime of a thunderstorm, dynamically induced charging, modeled as a current source, can be located spatially with measurements of Maxwell current density. The electric field mills can be used to calculate the Maxwell current density at times when it is equal to the displacement current density. These improvements will produce more accurate assessments of the potential electrical activity, identify active cells, and forecast thunderstorm termination.

Maier, Launa M.↗
NASA NTRS1993

Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides

The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off-center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for N-acetyl, N'-methylamide-blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. The role of the correlation effects in the peptide molecular charge distribution are discussed.

NASA Discipline Exobiology↗
NASA NTRS1994

A linear method for analyzing lightning field changes

A constrained, least-squares method for analyzing multiple-station measurements of lightning field changes (delta Es) is introduced. Previous methods have attempted to fit the spatial pattern of lightning delta Es using nonlinear models, such as a point charge (Q) or a point dipole (P) model. With the linear method, the delta Es are described not by models but by a general volume charge distribution that is deposited on a large (40 x 40 x 20 cu km) Cartesian grid above the measuring network. A linear system of equations is used to relate the measured delta Es to the charges that are deposited at each grid point. With this approach, the information content of the measurements can be quantified by an eigenanalysis of the covariance matrix of the linear system. Constraints can be used to reduce the infinity of possible solutions to the linear system and also to reduce systematic biases that can be introduced by the method of solution. It is shown that a Landweber iterative method, derived from the general method of steepest descent, can be used to solve the linear system and that the resulting volume charge distributions are generally consistent with computer-simulated charge sources, when these sources are over the measuring network. The Landweber iteration has also provided solutions for natural lightning events that are consistent with Q- and P-model results.

Koshak, William J.↗
NASA NTRS2022

Adiabatic Evolution Due to the Conservative Scalar Self-force During Orbital Resonances

We calculate the scalar self-force experienced by a scalar point-charge orbiting a Kerr black holealongrθ-resonant geodesics. We use the self-force to calculate the averaged rate of change of thecharge’s orbital energy⟨ ̇E⟩, angular momentum⟨ ̇Lz⟩, and Carter constant⟨ ̇Q⟩, which togethercapture the leading-order adiabatic, secular evolution of the point-charge. Away from resonances,only the dissipative (time antisymmetric) components of the self-force contribute to⟨ ̇E⟩,⟨ ̇Lz⟩, and⟨ ̇Q⟩. We demonstrate, using a new numerical code, that duringrθresonances conservative (timesymmetric) scalar perturbations also contribute to⟨ ̇Q⟩and, thus, help drive the adiabatic evolutionof the orbit. Furthermore, we observe that the relative impact of these conservative contributionsto⟨ ̇Q⟩is particularly strong for eccentric 2:3 resonances. These results provide the first conclusivenumerical evidence that conservative scalar perturbations of Kerr spacetime are nonintegrable duringrθresonances.

Zachary Nasipak↗
NASA NTRS1983

Further observations on resonance cones in non-Maxwellian plasmas

Results on the angular distribution of the electrostatic potential of a pulsating point charge in a warm magnetized plasma permeated by an electron beam are presented. The theoretical formulation for a finite magnetic field is given, and the solution of the resonance cone dispersion relation is presented. Numerical results on the angular distribution of the potential are shown, and the propagation of waves outside the resonance cones is described. It is demonstrated that with the inclusions of a finite magnetic field, the field patterns of a point charge are qualitatively similar to those obtained for a uniaxial plasma. The Cerenkov radiation occurs at angles much smaller than the cold-cone angle, even with the finite magnetic field. When the beam velocity is well above the thermal velocity of the background electrons, a characteristic wave propagation occurs between the cold-cone angles.

Thiemann, H.↗
NASA NTRS1989

Analysis of lightning field changes during active Florida thunderstorms

A computer algorithm for deriving accurate values of lightning-caused changes in cloud electric fields under active storm conditions was developed and applied to data obtained during two thunderstorms from a network of ground-based electric field mills at the NASA Kennedy Space Center and the Cape Canaveral Air Force Station. The resulting field changes were analyzed using a least-squares optimization procedure and point-charge (Q) and point-dipole (P) models. The values and the time variations of the Q-model parameters under active storm conditions were found to be similar to those reported by Maier and Krider (1986) for small storms, when the computations were carried out with the same analysis criteria and comparable biases. The parameters of the P solutions were found to vary with time within the storm interval and from storm to storm.

Koshak, William J.↗
NASA NTRS1999

A Multipole Expansion Method for Analyzing Lightning Field Changes

Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q model) or a point dipole (the P model). The Q model has four unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P model has six unknown parameters and describes many intracloud (IC) discharges. In this paper we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a dme-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer-simulated sources and on natural lightning at the NASA Kennedy Space Center and U.S. Air Force Eastern Range.

Koshak, William J.↗
NASA NTRS2010

Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.

Walton, Otis R.↗
NASA NTRS1998

A Multipole Expansion Method for Analyzing Lightning Field Changes

Changes in the surface electric field are frequently used to infer the locations and magnitudes of lightning-caused changes in thundercloud charge distributions. The traditional procedure is to assume that the charges that are effectively deposited by the flash can be modeled either as a single point charge (the Q-model) or a point dipole (the P-model). The Q-model has 4 unknown parameters and provides a good description of many cloud-to-ground (CG) flashes. The P-model has 6 unknown parameters and describes many intracloud (IC) discharges. In this paper, we introduce a new analysis method that assumes that the change in the cloud charge can be described by a truncated multipole expansion, i.e., there are both monopole and dipole terms in the unknown source distribution, and both terms are applied simultaneously. This method can be used to analyze CG flashes that are accompanied by large changes in the cloud dipole moment and complex IC discharges. If there is enough information content in the measurements, the model can also be generalized to include quadrupole and higher order terms. The parameters of the charge moments are determined using a 3-dimensional grid search in combination with a linear inversion, and because of this, local minima in the error function and the associated solution ambiguities are avoided. The multipole method has been tested on computer simulated sources and on natural lightning at the NASA Kennedy Space Center and USAF Eastern Range.

Koshak, William J.↗
NASA NTRS1980

Studies of H2O on beta-AgI surfaces - An effective pair potential model

The adsorption of a water molecule on surfaces of beta-AgI, the hexagonal crystal believed to be primarily responsible for the ice-nucleating properties of AgI, is studied on the basis of an effective pair potential model. The water molecule is represented by a rigid point charge ST-2 model and the AgI substrate by an array of point atoms, and maximal binding energy surfaces and optimal H2O configurations are generated for the water molecule adsorbed on the rigid and unrelaxed basal and prism faces. Modeling of H2O adsorption above a two-layer ledge, an iodine vacancy and an H2O molecule trapped in the vacancy indicates that H2O adsorption is favored at interstitial sites where no substrate atoms lie directly below. The prism face is found to attract the water molecule more strongly and provide larger energy barriers to surface diffusion than basal face sites, with the ideal basal faces providing hexagonal patterns of adsorption sites for the H2O with preferred dipole moments aligned.

Hale, B. N.↗
NASA NTRS1992

Noncontact charge measurement

A method for noncontact charge measurements is presented, which uses a system based on the reciprocal motion principle of a grounded conductor near a point charge. The system exhibits extremely good linearity with respect to the input electric field and has a resolution of greater than 10 V/m. The high sensitivity of the apparatus makes the system feasible for use at a safe distance in various applications for monitoring static charge.

Lin, Kuan-Chan↗
NASA NTRSDate not supplied

Transient Resonances in EMRIs: A Scalar Toy Model

We present calculations of the scalar self-force for a scalar point-charge following different $r\theta$-resonant geodesics in Kerr spacetime. Using this scalar model, we present two methods for constructing the self-force for resonant sources using two different phase parameterizations of the point-particle motion. We relate these two methods via a simple shifting relation that holds for both the scalar and gravitational self-forces. We discuss how this shifting relation allows us to compare self-force results both at and away from resonances. Finally, we provide new evidence that conservative scalar perturbations can drive the leading-order evolution of the orbital dynamics during resonances (i.e., the orbit-averaged rate of change of the Carter constant depends on contributions from the conservative self-force). This evidence conflicts with a commonly assumed conjecture that these integrated conservative contributions should vanish during both resonant and non-resonant motion.

Zachary Nasipak↗
NASA NTRS1980

Charge distribution in lightning flashes

Four VHF receivers about 10 km apart were used to detect three-dimensional lightning VHF sources during active thunderstorms. A computer implemented algorithm was used to determine the difference in the time of arrival (DTOA) between the VHF pulses. The three-dimensional source locations determined from the DTOA were correlated with ground electric field measurements (0.1 Hz to 1.5 MHz). Four cloud to ground (CG) and three intracloud (IC) flashes, selected randomly, were studied. A point charge model was used to determine the charge being removed during the different phases of CG and IC flashes. It was determined that return strokes lowered between 24.1 and 3.6 coulombs of negative charge to ground from heights between 10.5 and 5.8 km above MSL. The interstroke process after the first return stroke in a CG flash lowered between 3.4 and 0.9 coulombs of negative charge between the heights of 14.2 (near the cloud tops) to heights of 5.8 km (near the beginning of the leader-return stroke process).

Rustan, P. L.↗
NASA NTRS2004

Dimensional Reduction: A Method for Retrieving Lightning Charge

A method is introduced for retrieving the locations and magnitudes of charges deposited by a lightning flash using multiple ground-based electric field change measurements. The method, called Dimensional Reduction, reduces the number of unknowns in a discrete 2-charge model from the standard of eight (x, y, z, Q, x' , y' , z' , Q') to just four (x, y, z, Q). This reduction is accomplished by analyzing "residual measurements" that are formed by subtracting from each ground-based electric field change the contribution due to the source (x, y, z, Q). Using an improved analytic solution to the four-parameter point charge model (or "Q-model") the residual measurements are inverted to find the associated "residual source." For flash charge depositions that look approximately like two arbitrary charges, the residual source will be modeled accurately when (x, y, z, Q) is accurate. Hence, one need only minimize a chi-squared goodness-of-fit that is a function of the four variables (x, y, z, Q), rather than one that is a function of the eight variables (x, y, z, Q, x , y , z , Q ). The accuracy of the method is assessed by inverting computer-simulated electric field changes produced from known charge sources. The method is also applied to analyze real lightning electric field change data derived from the NASA Kennedy Space Center (KSC) and United States Air Force (USAF) Eastern Range (ER) ground-based field mill network It is shown that the charge retrievals compare favorably with associated ancillary ground- and satellite- based lightning measurements.

Koshak, William↗