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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 55 records · Page 3
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DOE OSTI2026

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗
DOE OSTI2023

Collisional-energy-cascade model for nonthermal velocity distributions of neutral atoms in plasmas

Nonthermal velocity distributions with much greater tails than a Maxwellian have been observed for radical atoms in plasmas for a long time. Historically, such velocity distributions have been modeled by a two-temperature Maxwell distribution. In this paper, I propose a model based on collisional energy cascade, which has been studied in the field of granular materials. In the collisional energy cascade, a particle ensemble undergoes energy input at the high-energy region, entropy production by elastic collisions among particles, and energy dissipation. For radical atoms, energy input may be caused by the Franck-Condon energy of molecular dissociation or charge-exchange collision with hot ions, and the input energy is eventually dissipated by collisions with the walls. Here, I show that the steady-state velocity distribution in the collisional energy cascade is approximated by the generalized Mittag-Leffler distribution, which is a one-parameter extension of the Maxwell distribution. This parameter indicates the degree of the nonthermality and is related to the relative importance of energy dissipation over entropy production. This model is compared with a direct molecular dynamics simulation for simplified gaseous systems with energy input, as well as some experimentally observed velocity distributions of light radicals in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Injection, confinement, and diagnosis of electrons and positrons in a permanent magnet dipole trap

Abstract Prerequisites for the goal of studying long-lived, magnetically confined, electron–positron pair plasmas in the laboratory include the injection of both species into the trap, long trapping times, and suitable diagnostic methods. Here we report recent progress on these tasks achieved in a simple dipole trap based on a supported permanent magnet. For the injection of electrons, both an $$\textbf{E}\times B$$ E × B drift technique (of a $$\sim $$ ∼ 2– $$\upmu $$ μ A, 6-eV beam) and “edge injection” (from a filament emitting a few mA and biased to some tens of volts) have been demonstrated; the former is suitable for low-density beams with smaller spatial and velocity spreads, while the latter employs fluctuations arising from collective behavior. To diagnose the edge-injected electrons, image potentials and currents induced on a wall probe, the magnet case, and wall electrodes were measured. Confinement of drift-injected positrons, measured experimentally, exhibited at least two well-separated timescales. Simulations reproduced this qualitatively, using a simple model of elastic collisions with residual background gas, and point to small adjustments for increasing trapping times. In a major upgrade to diagnostic capabilities, 25 bismuth germanate detectors, placed in three reentrant ports, are able to localize annihilation gammas, which will be used in future experiments to distinguish between different loss channels. Graphical abstract

von der Linden, J. (ORCID:0000000327477813)↗
DOE OSTI2025

On a Critical Acceleration Scale of Dark Matter in ΛCDM and Dynamical Dark Energy

Abstract Universal acceleration a 0 emerges in various empirical laws, yet its fundamental nature remains unclear. Using Illustris and Virgo N -body simulations, we focus on the velocity and acceleration fluctuations in collisionless dark matter involving long-range gravity. For comparison, in the kinetic theory of gases, molecules undergo random elastic collisions involving short-range interactions, where only velocity fluctuations are relevant. Hierarchical structure formation proceeds through the merging of smaller halos to form larger halos, which facilitates a continuous energy cascade from small to large halos at a constant rate ε u ≈ −10 −7 m 2 s −3 . Velocity fluctuations involve a critical velocity u c ∝ (1 + z ) −3/4 . Acceleration fluctuations involve a critical acceleration a c ∝ (1 + z ) 3/4 . Two critical quantities are related by the rate of energy cascade ε u ≈ − a c u c /[2(3 π ) 2 ], where factor 3 π is from the angle of incidence during merging. With critical velocity u c on the order of 300 km s −1 at z = 0, the critical acceleration is determined to be a c 0 ≡ a c ( z = 0) ≈ 10 −10 m s −2 , suggesting a c might explain the universal acceleration a 0 ≈ 10 −10 m s −2 in the empirical Tully–Fisher relation or modified Newtonian dynamics. The redshift evolution a c ∝ (1 + z ) 3/4 is in good agreement with Magneticum and EAGLE simulations and in reasonable agreement with limited observations. This suggests a larger a 0 at a higher redshift such that galaxies of fixed mass rotate faster at a higher redshift. Note that for dark energy (DE) density ρ DE 0 ≈ a c 0 2 / G = 1 0 − 10 J m −3 , we postulate an entropic origin of the DE from acceleration fluctuations of dark matter, analogous to the gas pressure from velocity fluctuations. This leads to a dynamical DE coupled to the structure evolution involving a relatively constant DE density followed by a slow weakening phase, suggesting possible deviations from the standard ΛCDM paradigm.

N-body simulations↗
NASA NTRS1973

Theoretical models for electron energy relaxation in the lower ionosphere

Elastic collisions and rotation inelastic collisions involving quadrupole molecular transitions are important in energy relaxation of electrons in molecular gases. It has been customary in studying the cooling of electrons in a plasma heated by high-frequency waves to characterize this relaxation by the ionospheric G factor. The G factor is first defined in a fundamental way by use of kinetic theory. Then present models for theoretical cross sections for electron collision with O2 and N2 are used to derive expressions for the G factor in the lower ionosphere. Two models are considered: one uses Gerjuoy-Stein models for both N2 and O2; the other uses a Gerjuoy-Stein model for N2 and a Geltman-Takayanaki model for O2. Neither O2 model has been definitely established experimentally. It is found that temperature dependence of G is critically dependent on the O2 model.

Hagenbuch, K. M.↗
NASA NTRS1975

Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

Heaps, M. G.↗
NASA NTRS1975

Resonance-line transfer with partial redistribution. VII Angle-dependent redistribution

A method is presented for treating radiative transfer in resonance lines, allowing for the full angle and frequency dependence of redistribution in the scattering process, as seen in the laboratory frame. The case of an equivalent-two-level-atom source function is considered; the problem to be treated is then linear in the radiation field. We apply this method to the Ca II lines in the solar atmosphere, using a redistribution function which takes into account a mixture of coherence in the atom's frame, with Doppler redistribution in the laboratory frame (for atoms which have not suffered an elastic collision), and of complete redistribution in the laboratory frame (for atoms that are collisionally perturbed during the emission process). Both the angle-averaged approximation and the full angle-dependent solution were obtained, and were compared to assess, differentially, the effects of angular redistribution upon the computed line profile and its center-to-limb behavior. For the Ca II line in a homogeneous solar chromosphere the angle-dependent effects are found to be negligible, indicating that one may use angle-averaged redistribution functions when studying partial redistribution effects in line profiles.

Milkey, R. W.↗
NASA NTRS1977

Industrial ion source technology

Plasma probe surveys were conducted in a 30-cm source to verify that the uniformity in the ion beam is the result of a corresponding uniformity in the discharge-chamber plasma. A 15 cm permanent magnet multipole ion source was designed, fabricated, and demonstrated. Procedures were investigated for texturing a variety of seed and surface materials for controlling secondary electron emission, increasing electron absorption of light, and improved attachment of biological tissue for medical implants using argon and tetrafluoromethane as the working gases. The cross section for argon-argon elastic collisions in the ion-beam energy range was calculated from interaction potentials and permits calculation of beam interaction effects that can determine system pumping requirements. The data also indicate that different optimizations of ion-beam machines will be advantageous for long and short runs, with 1 mA-hr/cm being the rough dividing line for run length. The capacity to simultaneously optimize components in an ion-beam machine for a single application, a capacity that is not evident in competitive approaches such as diode sputtering is emphasized.

Kaufman, H. R.↗
NASA NTRS1980

A note on the revised galactic neutron spectrum of the Ames collaborative study

Energy distributions of the neutron dose equivalents in the 0.1 to 300 Mev interval for the Ames and Hess spectra are compared. The Ames spectrum shows no evaporation peak, moves the bulk of the flux away from the region of elastic collision and spreads it more evenly over higher energies. The neutron spectrum in space does not seem to hear out the Ames model. Emulsion findings on all manned missions of the past consistently indicate that evaporation events are a prolific source of neutrons in space.

Schaefer, H. J.↗
NASA NTRS1979

Equilibrium velocities of a planetesimal population

The random velocities of planetesimal populations specified by maximum and minimum masses and a power-law number density are calculated iteratively. The calculation is based on two different physical models involving ratios of rates: (1) excitation of kinetic energy by gravitational perturbation and elastic collision equal to damping of kinetic energy by inelastic collisions; and (2) excitation of kinetic energy a ratio b (about 3 usually) to doubling of mass. Both physical models are developed approximately and then more precisely. The approximate model (2) agrees with results of Safronov (1972). Both precise models are applied to populations approximating those generated by the calculations of Greenberg et al. (1978), Cox and Lewis (1979), and Wetherill (1979).

Kaula, W. M.↗
NASA NTRS1983

Macroscopic Lagrangian description of warm plasmas. I Formulation of the Lagrangian

A macroscopic Lagrangian is derived which includes a pressure tensor, heat conduction, and elastic collisions. Its Euler-Lagrange equations are shown to be the Maxwell equations and the macroscopic force law. The corresponding Hamiltonian is derived, and Hamilton's canonical equations are also demonstrated to lead to the Maxwell equations and the macroscopic force law. The treatment is facilitated by working in a mixture of Eulerian coordinates (for the fields) and Lagrangian coordinates (for the particle motions), and the introduction of a macroscopic potential expressed in terms of the plasma thermal energy and the energy losses by heat conduction.

Peng, Y.-K. M.↗
NASA NTRS1985

Cometary atmospheres: Modeling the spatial distribution of observed neutral radicals

An algorithm for the random walk problem of multiple elastic collisions between newly formed non-thermal neutral cometary radicals and the outflowing cometary molecules was incorporated into the Monte Carlo particle-trajectory model. Preliminary model analysis has shown that the effects of collision on the observed spatial distribution of cometary radicals becomes important for the larger bright comets, especially at smaller values of the helicocentric distance. The model and early results are discussed herein.

Combi, M. R.↗
NASA NTRS1986

A model of Comet P/Giacobini-Zinner

A computer model of Comet P/Giacobini-Zinner is presented which contains photoprocesses, gas-phase chemical kinetics, energy balance, multifluid hydrodynamics with a transition to free molecular flow, and solar wind interaction. Recently the physics for electrons in the model has been improved by including electron impact ionization and dissociation and separately accounting for electron energetics. Electron heating and cooling mechanisms include photoprocesses, recombination processes, inelastic and elastic collisions with heavy molecules, and expansion cooling. The model incorporates an internally consistent interaction of the solar wind with the coma gas using the axisymmetric ideal fluid dynamic equations. The nuclear size and composition have been chosen to make the calculations relevant to the September 11, 1985 International Cometary Explorer (ICE) encounter with Comet P/Giacobini-Zinner. Model profiles of the temperature, velocity, and number density of the electrons are in good agreement with measurements along ICE's trajectory. The results indicate the probe passed through a region of the coma at the onset of the plasma tail.

Boice, D. C.↗
NASA NTRS1986

Thermospheric production of O(1S) by dissociative recombination of vibrationally excited O2(+)

High spectral resolution line profiles at 5577 A of the nighttime, F-region O(1S) emission measured by the Fabry-Perot interferometer on board the Dynamics Explorer satellite are analyzed using a continuous O(1S) relaxation model. The model is an improvement over the previous model of Killeen and Hays (1981) in that energy loss via elastic collision is considered in addition to the single collision, excitation exchange thermalization process. The results show that the active channel for O(1S) production is capture into the 1Sigma(+)u repulsive state of O2 and that the main contributor to its production is the dissociative recombination of O2(+) ions in vibrational levels v = 1 and 2 in agreement with the quantal calculations of Guberman (1983).

Yee, Jeng-Hwa↗
NASA NTRS1987

Energetic N(+) ions in the interstellar medium

Energetic N(+) ions are produced in interstellar clouds by reactions of He(+) ions and N2 with sufficient energy to overcome the exoergicity of the reaction of N(+) with H2 and thereby from NH(+) ions. The reacting N(+) ions also slow down by elastic collisions with the ambient H2 molecules. The equilibrium energy distributions of the N(+) ions in a gas with temperature between 10 and 70 K are derived and the effective reaction rate coefficients are calculated. At 30 K, the rate coefficient is 1.6 x 10 to the -10th cu cm/sec.

Yee, J. H.↗
NASA NTRS1987

Cometary MHD and chemistry

An MHD and chemical comet-coma model was developed, applying the computer program of Huebner (1985) for the detailed chemical evolution of a spherically expanding coma and the program of Schmidt and Wegman (1982) and Wegman (1987) for the MHD flow of plasma and magnetic field in a comet to the Giotto-mission data on the ion abundances measured by the HIS ion mass spectrometer. The physics and chemistry of the coma are modeled in great detail, including photoprocesses, gas-phase chemical kinetics, energy balance with a separate electron temperature, multifluid hydrodynamics with a transition to free molecular flow, fast-streaming atomic and molecular hydrogen, counter and cross streaming of the ionized species relative to the neutral species in the coma-solar wind interaction region with momentum exchange by elastic collisions, mass-loading through ion pick-up, and Lorentz forces of the advected magnetic field. The results, both inside and outside of the contact surface, are discussed and compared with the relevant HIS ion mass spectra.

Wegmann, R.↗
NASA NTRS1992

Chemistry of the outer planets

Various aspects were studied of past or present chemistry in the atmospheres of the outer planets and their satellites using lab simulations. Three areas were studied: (1) organic chemistry induced by kinetically hot hydrogen atoms in the region of Jupiter's atmosphere containing the ammonia cirrus clouds; (2) the conversion of NH3 into N2 by plasmas associated with entry of meteors and other objects into the atmosphere of early Titan; and (3) the synthesis of simple hydrocarbons and HCN by lightning in mixtures containing N2, CH4, and NH3 representing the atmospheres of Titan and the outer planets. The results showed that: (1) hot H2 atoms formed from the photodissociation of NH3 in Jupiter's atmosphere could account for some of the atmospheric chemistry in the ammonia cirrus cloud region; (2) the thermalization of hot H2 atoms in atmospheres predominated by molecular H is not as rapid as predicted by elastic collision theory; (3) the net quantum loss of NH3 in the presence of a 200 fold excess of H2 is 0.02, much higher than was expected from the amount of H2 present; (4) the conversion of NH3 into N2 in plasmas associated with infalling meteors is very efficient and rapid, and could account for most of the N2 present on Titan; (5) the yields of C2H2 and HCN from lightning induced chemistry in mixtures of CH4 and N2 is consistent with quenched thermodynamic models of the discharge core; and (6) photolysis induced by the UV light emitted by the gases in the hot plasmas may account for some, if not most, of the excess production of C2H6 and the more complex hydrocarbons.

Scattergood, Thomas W.↗