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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Kinetic theory of a two-dimensional magnetized plasma. II - Balescu-Lenard limit.

The kinetic theory of a two-dimensional one-species plasma in a uniform dc magnetic field is investigated in the small plasma parameter limit. The plasma consists of charged rods interacting through the logarithmic Coulomb potential. Vahala and Montgomery earlier (1971) derived a Fokker-Planck equation for this system, but it contained a divergent integral, which had to be cut off on physical grounds. This cutoff is compared to the standard cutoff introduced in the two-dimensional unmagnetized Fokker-Planck equation. In the small plasma parameter limit, it is shown that the Balescu-Lenard collision term is zero in the long time average limit if only two-body interactions are considered. The energy transfer from a test particle to an equilibrium plasma is discussed and is also shown to be zero in the long time average limit. This supports the unexpected result of zero Balescu-Lenard collision term.

Vahala, G.↗
NASA NTRS1974

Effect of the cluster integrals on three particles on the calculated electron density of a hydrogen plasma

The effect of the calculation of the cluster integrals on three particles is analyzed and evaluated for a hydrogen plasma where a pairwise-additive hard sphere-Coulomb potential is assumed. The Mayer cluster integral method was used to calculate the Helmholtz free energy which was then applied to the calculation of the electron number density through an iterative technique using a corrected Saha equation. It is seen that the three particle integrals provide a substantial correction to the calculations in the low energy-high density region of the hydrogen plasma.

Mcintyre, R. G.↗
NASA NTRS1978

The collisional interaction of a beam of charged particles with a hydrogen target of arbitrary ionization level

The classical theory of scattering under the Coulomb potential of both charged and neutral particles is used to derive formulae for the energy deposition rate and mean scattering of a beam of charged particles interacting with a cold hydrogen target of arbitrary ionization level as a function of the column density traversed by the beam. These general results hold for any form of stable injection energy spectrum, and their relevance to the existing literature on chromospheric heating during solar flares is discussed.

Emslie, A. G.↗
NASA NTRS1984

Theoretical study of miscibility and glass-forming trends in mixtures of polystyrene spheres

A theoretical study of glass-forming trends and miscibility in mixtures of polystyrene spheres (polyballs) of different diameters, suspended in an aqueous solution, is presented. The polyballs are assumed to be charged and to interact via a Debye-Hueckel screened Coulomb potential. The Helmholtz free energy is calculated from a variational principle based on the Gibbs-Bogoliubov inequality, in which a mixture of hard spheres of different diameters is chosen as the reference system. It is found that when the charges of the two types of polyballs are sufficiently different, the variationally determined ratio of hard-sphere diameters differs substantially, leading to packing difficulties characteristic of glass formation. The experimentally observed range of glass formation corresponds to a ratio of hard-sphere diameters of 0.8 or less. Calculations of the free energy as a function of concentration indicate that the liquid polyball mixture is stable against the phase separation, even for widely different polyball charges.

Shih, W.-H.↗
NASA NTRS1986

Nonlocal screening in metal surfaces

Due to the effect of the nonuniform environment on the static screening of the Coulomb potential, the local-density approximation for the particle-hole interaction is found to be inadequate to determine the surface energy of simple metals. Use of the same set of single-particle states, and thus the same one-body density and the same work function, has eliminated the single-electron states in favor of the structure of the short-ranged correlations as the basis of this effect. A posteriori simplifications of the Fermi hypernetted-chain theory may be found to allow the same calculational accuracy with simpler computational tools.

Krotscheck, E.↗
NASA NTRS1988

The equation of state for stellar envelopes. I - An occupation probability formalism for the truncation of internal partition functions

An equation of state for material in stellar envelopes, subject to the limits of temperature less than about 10 to the 7th K and density less than about .01 g/cu cm is presented. The equation makes it possible to express free energy as the sum of several terms representing effects such as partial degeneracy of the electron, Coulomb interactions among charged particles, finite-volume, hard sphere repulsion, and van der Waals attraction. An occupation probability formalism is used to represent the effects of the plasma in establishing a finite partition function. It is shown that the use of the static screened Coulomb potential to calculate level shifts and to estimate the cutoff of the internal partition function is invalid. For most of the parameter space relevant to stellar envelopes, perturbations arising from the plasma ions are shown to be dominant in establishing the internal partition function.

Hummer, D. G.↗
NASA NTRS1990

Linear mixing rule in screened binary ionic mixtures

The validity of the linear mixing rule is examined for the following two cases (1) when the response of the electron gas is taken into account in the effective ionic interaction and (2) when finite-temperature effects are included in the dielectric response of the electrons, i.e., when the ions interact with both temperature- and density-dependent screened Coulomb potentials. It is found that the linear mixing rule remains valid when the electron response is taken into account in the interionic potential at any density, even though the departure from linearity can reach a few percent for the asymmetric mixtures in the region of weak degeneracy for the electron gas. A physical explanation of this behavior is proposed which is based on a simple additional length scale.

Chabrier, G.↗
NASA NTRS1993

Plasma-screening effects on the electron-impact excitation of hydrogenic ions in dense plasmas

Plasma-screening effects are investigated on electron-impact excitation of hydrogenic ions in dense plasmas. Scaled cross sections Z(exp 4) sigma for 1s yields 2s and 1s yields 2p are obtained for a Debye-Hueckel model of the screened Coulomb interaction. Ground and excited bound wave functions are modified in the screened Coulomb potential (Debye-Hueckel model) using the Ritz variation method. The resulting atomic wave functions and their eigenenergies agree well with the numerical and high-order perturbation theory calculations for the interesting domain of the Debye length not less than 10. The Born approximation is used to describe the continuum states of the projectile electron. Plasma screening effects on the atomic electrons cannot be neglected in the high-density cases. Including these effects, the cross sections are appreciably increased for 1s yields 2s transitions and decreased for 1s yields 2p transitions.

Jung, Young-Dae↗
NASA NTRS2002

D-wave Resonances in Positronium Hydride

In a previous paper [Phys. Rev. A 65, 032721 (2002)] we re-examined a model describing the structure of the low-energy Ps-H resonances as being due to quasi-bound states of the positron in the perturbed Coulomb potential of the H-ion appearing in the closed, rearranged channel. In particular, we wished to understand why the lowest p-state resonance was so far away from the lowest quasi-bound (2p) state. We found that the lowest resonance actually corresponds to the first excited [3p] state, while the lowest state is not recognizable as a resonance. In the present work we repeat our analysis, but this time for the lowest d state. We find that the lowest [3d] state does correspond to a resonance shifted moderately.

DiRienzi, Joseph↗
NASA NTRS2003

The Simulation of Damage Tracks in Silicon

We describe a model for deriving heavy ion damage tracks using NIEL and the projected range. NIEL is directly calculated using screened Coulomb potentials. The model is applied to energetic ions incident on silicon.

Messenger, S. R.↗
NASA NTRS2004

Modified Coulomb-Dipole Theory for 2e Photoionization

In the light of recent experiment on 2e photoionization of Li near threshold, we have considered a modification of the Coulomb-dipole theory, retaining the basic assumption that the threshold is dominated by asymmetric events in phase space [implies r(sub 1), k(sub 1)) greater than or equal to 2(r(sub 2), k(sub )]. In this region [in a collinear model, 2/r(sub 12) approached + 2/(r(sub 1)+r(sub 2)] the interaction reduces to V(rIsub 1) is greater than or equal to 2r(sub 2) is identically equal to [(-Z/r(sub 2)-(A-1)/r(sub 1)] + [(-2r(sub 2)/r(sub 1 exp 2)] is identically equal to V(sub c)+[V(sub d)]. For two electron emission Z = 2, thus both electrons see a Coulomb potential (V(sub c)) asymptotically, albeit each seeing a different charge. The residual potential (V(sub d)) is dipole in character. Writing the total psi = psi (sub c) + psi(sub d) = delta psi, and noting that. (T+V(sub c)-E)psy(sub c) = 0 and (T+V(sub c))psi(sub d) = 0 can be solved exactly, we find, substituting psi into the complete Schrod. Eq., that delta psi = -(H-E)(exp -1)(V(sub d) psi(sub 0)+V(sub c psi (sub 1). Using the fact that the absolute value of V(sub c) is much more than the absolute value of V(sub d) in almost all of configuration space, we can replace H by H(sub 0) in 9H-E)(exp -1) to obtain an improved approximation psi (improved) = psi(sub c) + psi(sub d) -(H(sub 0)-E)(exp -1) (V(sub c) psi (sub 0) + V(sub c) psi(sub 1). Here's the Green's function (H(sub 0)-E)(exp -1), can be exhibited explicitly, but the last term in psi (improved) is small, compared to the first two terms. Inserting them into the transition matrix element, which one handles in the usual way, we obtain in the limit E approaches 0, the threshold law: Q(E) alpha E + M(E)E(exp 5/4) + higher order (Eq. 1a). The modulation function, M(E), is a well-defined (but very non-trivial integral, but it is expected to be well approximated by a sinusoidal function containing a dipole phase term (M(E) = c sin[alpha log (E) + micron] (Eq. 1b). Experimental results show definite modulations, and are well fitted by Eqs (1).

Source record↗
NASA NTRS2007

Doubly Excited Resonances in the Positronium Negative Ion

The recent theoretical studies on the doubly excited states of the Ps' ion are described. The results obtained by using the method of complex coordinate rotation show that the three-lepton system behaves very much like an XYX tri-atomic molecule. Furthermore, the recent investigation on the positronium negative ion embedded in Debye plasma environments is discussed. The problem is modeled by the use of a screened Coulomb potential to represent the interaction between the charge particles.

Ho, Y.K.↗
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 NTRSDate not supplied

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

Lunar landers will agitate the surface of the Moon with an exhaust plume during descent which will, due to the particulate nature of the lunar regolith, loosen and eject grains from the surface. This ejection is not only coupled with the charged plume gas, but also results in significant particle-particle interactions. Settling of these grains after plume effects have subsided takes much longer than expected in a ballistic trajectory. The prevailing hypothesis attributes this behavior to the accumulated charge on the particles. We are thus developing a discrete element method (DEM) approach to explore these charged particle interactions on the lunar surface. The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Improved for General Granular and Granular Heat Transfer Simulations (LIGGGHTS) software package provides a DEM modeling framework for granular interactions. It includes many complexities such as non-spherical particle shapes, cohesion and frictional forces, and heat transfer, but has no provision for inter-particle electrostatic forces and charge transfer that are important to examine in the lunar environment. In this work, a standard Coulomb potential and a Yukawa potential are integrated into the LIGGGHTS framework to provide a basis for particle-particle electrostatic interactions, as well as a gravitational potential to enable inter-grain gravitational interactions. A preliminary approach to charge transfer between grains incorporating properties such as work function and electrical conductivity to the library of available material characteristics will be presented. Several scenarios have been simulated that include charged particle interactions within a diffuse granular gas, settling of charged grains into a regolith bed, sliding of granular material along an incline, and vibration of settled grains to produce a behavior similar to fluidization. There are numerous challenges to incorporate realistic interactions between complex lunar particles. Currently, grains are modeled to behave as if the entirety of the charge acts at the center of mass, such as conductors with spherical symmetry and insulators with homogeneously distributed charge. We are developing improvements that will include the use of non-spherical particle geometries, as well as reasonable approximations of insulating/dielectric materials that have non-uniform charge distributions. The cases simulated thus far will be examined in a relevant environment within a vacuum chamber to validate the simulations. These simulations will be bounded by experiments utilizing high-speed camera observations of the motion for validation. The grains in the experiment will exchange charge during their motion and this can be quantified by collection within a charge measurement device such as a Faraday cup. Such a device may be modeled within the software by defining an integration region and computing the contained charge as a function of simulation time, allowing for side-by-side comparison of simulated and measured bulk charging results. Any differences will be reconciled by updating the mathematical mechanisms described within the simulation suite. Successfully combining results from experiments within a relevant environment into the LIGGGHTS framework will improve modeling of the charged grain dynamics experienced on the Moon to provide insights into dust behavior for future lunar exploration missions.

Electrostatics↗
NASA NTRS1989

Analytically reduced form for the class of integrals containing multicenter products of 1s hydrogenic orbitals, Coulomb or Yukawa potentials, and plane waves

The class of integrals containing the product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials with m plane waves is investigated analytically. The results obtained by Straton (1989) are extended and generalized. It is shown that the dimensionality of the entire class can be reduced from 3m to M+N-1.

Straton, Jack C.↗
NASA NTRS1989

Fourier transform of the multicenter product of 1s hydrogenic orbitals and Coulomb or Yukawa potentials and the analytically reduced form for subsequent integrals that include plane waves

The Fourier transform of the multicenter product of N 1s hydrogenic orbitals and M Coulomb or Yukawa potentials is given as an (M+N-1)-dimensional Feynman integral with external momenta and shifted coordinates. This is accomplished through the introduction of an integral transformation, in addition to the standard Feynman transformation for the denominators of the momentum representation of the terms in the product, which moves the resulting denominator into an exponential. This allows the angular dependence of the denominator to be combined with the angular dependence in the plane waves.

Straton, Jack C.↗
NASA NTRS1969

H-H interaction potentials.

Direct Coulomb interaction matrix elements between hydrogen atoms in ground states calculated, presenting interaction potential

Flannery, M. R.↗
DOE OSTI2026

Quantifying Outer- and Inner-Coordination Sphere Effects Using Uranium Redox Chemistry in Molten Salt Solutions

Defining the relative influence of intramolecular and intermolecular forces is a fundamental problem in chemistry that is difficult to quantify. To address this challenge, we developed a method to evaluate the relative impact of direct chemical bonding in the inner-coordination sphere vs effects from cations in the outer-coordination sphere by comparative analysis of uranium redox reactivity in various molten salts. We observed that outer-coordination sphere cations (M 1+ ) and inner-coordination sphere anions (X 1– ) both affected uranium redox reactivity, with more polarizing M 1+ and larger X 1– favoring uranium in low oxidation states. Changing M 1+ (Li, Na, K) shifted the U IV + e 1– ⇌ U III (U IV/III ) and U III + 3e 1– → U 0 metal potentials by +330 and +240 mV, respectively. Changing X 1– (Cl, Br, I) caused larger shifts of +440 mV for the U IV/III redox potential and +1060 mV for the U 0 metal deposition potential. Using Coulomb’s Law, we correlated these potentials with electrostatic interactions between UIII and the molten salt. This model provided a facile way of predicting redox chemistry within molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗