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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Modeling nanoparticle charge distribution in the afterglow of non-thermal plasmas and comparison with measurements

Particle charging in the afterglows of non-thermal plasmas typically take place in a non-neutral space charge environment. We model the same by incorporating particle-ion collision rate constant models, developed in prior work by analyzing particle-ion trajectories calculated using Langevin Dynamics simulations, into species transport equations for ions, electrons and charged particles in the afterglow. A scaling analysis of particle charging and additional Langevin Dynamics calculations of the particle-ion collision rate constant are presented to extend the range of applicability to ion electrostatic to thermal energy ratios of 300 and diffusive Knudsen number (that scales inversely with gas pressure) up to 2000. The developed collision rate constant models are first validated by comparing predictions of particle charge against measured values in a stationary, non-thermal DC plasma from past PK-4 campaigns published in Phys. Rev. Lett. 93(8): 085001 and Phys. Rev. E 72(1): 016406). The comparisons reveal excellent agreement within ±35% for particles of radius 0.6,1.0,1.3 μm in the gas pressure range of ~20-150 Pa. The experiments to probe particle charge distributions by Sharma et al. (J. Physics D: Appl. Phys. 53(24): 245204) are modeled using the validated particle-ion collision rate constant models and the calculated charge fractions are compared with measurements. The comparisons reveal that the ion/electron concentration and gas temperature in the afterglow critically influence the particle charge and the predictions are generally in qualitative agreement with the measurements. Along with critical assessment of the modeling assumptions, several recommendations are presented for future experimental design to probe charging in afterglows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2004

On The Effect of Electron Collisions in the Excitation of Cometary HCN

The electron-HCN collision rate for the excitation of rotational transitions of the HCN molecule is evaluated in comets C/1995 01 (Hale-Bopp) and C/1996 B2 (Hyakutake). Based on theoretical models of the cometary atmosphere, we show that collisions with electrons can provide a significant excitation mechanism for rotational transitions in the HCN molecule. Computed values of the cross section sigma(sub e-HCN) can be as high as 1.3 x cm2, more than 2 orders of magnitude greater than the commonly assumed HCN-H2O cross section. For the ground rotational transitions of HCN, the electron-HCN collision rate is found to exceed the HCN-H2O collision rate at distances greater than 3000 km from the cometary nucleus of Hale-Bopp and 1000 km from that of Hyakutake. Collisional excitation processes dominate over radiative excitation processes up to a distance of 160,000 km from the cometary nucleus of Hale-Bopp and 50,000 km from that of Hyakutake. Excitation models that neglect electron collisions can underestimate the HCN gas production rates by as much as a factor of 2.

Lovell, Amy J.↗
NASA NTRS2006

Gravitational Focusing and the Computation of an Accurate Moon/Mars Cratering Ratio

There have been a number of attempts to use asteroid populations to simultaneously compute cratering rates on the Moon and bodies elsewhere in the Solar System to establish the cratering ratio (e.g., [1],[2]). These works use current asteroid orbit population databases combined with collision rate calculations based on orbit intersections alone. As recent work on meteoroid fluxes [3] have highlighted, however, collision rates alone are insufficient to describe the cratering rates on planetary surfaces - especially planets with stronger gravitational fields than the Moon, such as Earth and Mars. Such calculations also need to include the effects of gravitational focusing, whereby the spatial density of the slower-moving impactors is preferentially "focused" by the gravity of the body. This leads overall to higher fluxes and cratering rates, and is highly dependent on the detailed velocity distributions of the impactors. In this paper, a comprehensive gravitational focusing algorithm originally developed to describe fluxes of interplanetary meteoroids [3] is applied to the collision rates and cratering rates of populations of asteroids and long-period comets to compute better cratering ratios for terrestrial bodies in the Solar System. These results are compared to the calculations of other researchers.

Matney, Mark J.↗
NASA NTRS2018

The Statistical Properties of Solar Wind Temperature Parameters Near 1 Au

We present a long-duration (approx. 10 yr) statistical analysis of the temperatures, plasma betas, and temperature ratios for the electron, proton, and alpha-particle populations observed by the Wind spacecraft near 1 au. The mean(median) scalar temperatures are T(sub e)(sub tot) = 12.2(11.9) eV, T(sub p)(sub tot) = 12.7(8.6) eV, and T(sub a)(sub tot) = 23.9(10.8) eV. The mean(median) total plasma betas are Beta(sub e)(sub tot) = 2.31(1.09), Beta(sub p)(sub tot) = 1.79(1.05), and Beta(sub a)(sub tot) = 0.17(0.05). The mean(median) temperature ratios are (T(sub e)/T(sub p))(sub tot) = 1.64(1.27), (T(sub e)/T(sub a))(sub tot) = 1.24(0.82), and (T(sub a)/T(sub p))(sub tot) = 2.50(1.94). We also examined these parameters during time intervals that exclude interplanetary (IP) shocks, times within the magnetic obstacles (MOs) of interplanetary coronal mass ejections (ICMEs), and times that exclude MOs. The only times that show significant alterations to any of the parameters examined are those during MOs. In fact, the only parameter that does not show a significant change during MOs is the electron temperature. Although each parameter shows a broad range of values, the vast majority are near the median. We also compute particle–particle collision rates and compare to effective wave–particle collision rates. We find that, for reasonable assumptions of wave amplitude and occurrence rates, the effect of wave–particle interactions on the plasma is equal to or greater than the effect of Coulomb collisions. Thus, wave–particle interactions should not be neglected when modeling the solar wind.

Wilson, Lynn B., III↗
NASA NTRS2002

Laminar Soot Processes (LSP)

This is the final report of a research program considering the structure and the soot surface reaction properties of laminar nonpremixed (diffusion) flames. The study was limited to ground-based measurements of buoyant laminar jet diffusion flames at pressures of 0.1-1.0 atm. The motivation for the research is that soot formation in flames is a major unresolved problem of combustion science that influences the pollutant emissions, durability and performance of power and propulsion systems, as well as the potential for developing computational combustion. The investigation was divided into two phases considering the structure of laminar soot-containing diffusion flames and the soot surface reaction properties (soot surface growth and oxidation) of these flames, in turn. The first phase of the research addressed flame and soot structure properties of buoyant laminar jet diffusion flames at various pressures. The measurements showed that H, OH and O radical concentrations were generally in superequilibrium concentrations at atmospheric pressure but tended toward subequilibrium concentrations as pressures decreased. The measurements indicated that the original fuel decomposed into more robust compounds at elevated temperatures, such as acetylene (unless the original fuel was acetylene) and H, which are the major reactants for soot surface growth, and that the main effect of the parent fuel on soot surface growth involved its yield of acetylene and H for present test conditions. The second phase of the research addressed soot surface reaction properties, e.g., soot surface growth and surface oxidation. It was found that soot surface growth rates in both laminar premixed and diffusion flames were in good agreement, that these rates were relatively independent of fuel type, and that these rates could be correlated by the Hydrogen-Abstraction/Carbon-Addition (HACA) mechanisms of Colket and Hall (1994), Frenklach et al. (1990,1994), and Kazakov et al. (1995). It was also found that soot surface oxidation rates were relatively independent of fuel type, were not correlated with O2, CO2, H2O and O collision rates but were correlated with the collision rates of OH with a collision efficiency of 0.14, in agreement with the early measurements in premixed flames of Neoh et al. (1980), after allowing for oxidation by O2 via the classical rate expression of Nagle and Strickland-Constable (1962).

Dai, Z.↗
NASA NTRS1973

Ion momentum and energy transfer rates for charge exchange collisions

The rates of momentum and energy transfer have been obtained for charge exchange collisions between ion and neutral gases having arbitrary Maxwellian temperatures and bulk transport velocities. The results are directly applicable to the F-region of the ionosphere where 0+ - 0 charge is the dominant mechanism affecting ion momentum and energy transfer.

Horwitz, J.↗
DOE OSTI2024

End-to-end codesign of Hessian-aware quantized neural networks for FPGAs

Here, we develop an end-to-end workflow for the training and implementation of co-designed neural networks (NNs) for efficient field-programmable gate array (FPGA) hardware. Our approach leverages Hessian-aware quantization of NNs, the Quantized Open Neural Network Exchange intermediate representation, and the hls4ml tool flow for transpiling NNs into FPGA firmware. This makes efficient NN implementations in hardware accessible to nonexperts in a single open sourced workflow that can be deployed for real-time machine-learning applications in a wide range of scientific and industrial settings. We demonstrate the workflow in a particle physics application involving trigger decisions that must operate at the 40-MHz collision rate of the CERN Large Hadron Collider (LHC). Given the high collision rate, all data processing must be implemented on FPGA hardware within the strict area and latency requirements. Based on these constraints, we implement an optimized mixed-precision NN classifier for high-momentum particle jets in simulated LHC proton-proton collisions.

47 OTHER INSTRUMENTATION↗
NASA NTRS1978

Ionisation from the 3s sub-level of highly charged ions

Scaled electron-impact cross sections are calculated for ionization from the 3s sublevel of hydrogenic ions with Z equal infinity by use of the Born exchange or the Coulomb-Born Oppenheimer approximation (which is exact, apart from relativistic corrections, in this limit). The results are fitted to an analytic expression which goes into the correct Bethe approximation result at high energies and which can readily be integrated over a Maxwellian electron velocity distribution to obtain collision rates. These results permit calculation of the approximate cross section and collision rate for ionization from the 3s sublevel of any highly charged ion with Z/N larger than approximately 2. Results obtained by the described procedure for Fe-14(+) and Fe-15(+) are compared with results obtained by other procedures.

Golden, L. B.↗
DOE OSTI2022

Effective ZDC cross section derived from Vernier Scans during the RHICf run with polarized protons at 255 GeV in 2017

At RHIC the collision rate per IP is measured by the Zero Degree Calorimeters (ZDC). The collision rate, as measured by the ZDC, corresponds to the rate of mutual forward neutral particles above a variable threshold and within a certain coincidence window. During run 17 the detector was operated for the RHICf experiment in a slightly different configuration from the earlier standard polarized proton run. Due to the different configuration the ZDC detector was calibrated for the rhicf setup by performing a set of dedicated vernier scans. A total of 9 vernier scans were performed. This note presents the data and summarizes the results, i.e. effective ZDC cross section from those scans for the rhicf running period.

43 PARTICLE ACCELERATORS↗
NASA NTRS1993

Collective effects of temperature gradients and gravity on droplet coalescence

The interaction and coalescence of small spherical drops in dilute, homogeneous dispersions are considered theoretically under conditions, where drop motion results from gravity settling and thermocapillary migration acting simultaneously. A trajectory analysis is used to predict pairwise collision rates, and population dynamics equations are solved to predict the time evolution of the droplet size distribution. The rate of droplet collisions and growth may be reduced dramatically by antiparallel alignment of the gravitational and thermocapillary velocities. For such antiparallel alignment with the gravitational relative velocity exceeding the thermocapillary relative velocity for two widely separated drops, there is a 'collision-forbidden region' in parameter space. This occurs because the gravitational relative velocity decays more rapidly with decreasing separation distance between the drops than does the thermocapillary relative velocity, and so the resultant relative velocity along the line-of-centers from these two sources combined becomes zero at a finite separation and the drops are unable to collide. As a result, small drops which initially collide and coalesce due to thermocapillary motion will only grow until they reach a critical size for which the oppositely directed gravitational motion balances the thermocapillary motion.

Zhang, Xiaoguang↗
DOE OSTI2021

Temperature-dependent rotationally inelastic collisions of OH – and He

We have studied the fundamental rotational relaxation and excitation collision of OH – J = 0 ↔ 1 with helium at different collision energies. Using state-selected photodetachment in a cryogenic ion trap, the collisional excitation of the first excited rotational state of OH – has been investigated and absolute inelastic collision rate coefficients have been extracted for collision temperatures between 20 and 35 K. Furthermore, the rates are compared with accurate quantum scattering calculations for three different potential-energy surfaces. Good agreement is found within the experimental accuracy, but the experimental trend of increasing collision rates with temperature is only in part reflected in the calculations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Quantum-State-Controlled Collisions of Ultracold Polyatomic Molecules

Collisions between ultracold calcium monohydroxide (CaOH) molecules are realized and studied. Inelastic collision rate constants are measured for CaOH prepared in ground and excited vibrational states, and the electric field dependence of these rates is measured for molecules in single quantum states of the parity-doubled bending mode. Theoretical calculations of collision rate coefficients are performed and found to agree with measured values. The lowest collisional loss rates are for states with repulsive long-range potentials that shield ultracold molecules from loss channels at short distance. These results unveil the collisional behavior of parity-doublet molecules in the ultracold regime and lay the foundation for future experiments to evaporatively cool polyatomic molecules to quantum degeneracy.

Vilas, Nathaniel B. [Harvard University, Cambridge↗
NASA NTRS1985

The collisional dynamics of particulate disks

It is shown that the use of the Krook equation greatly simplifies the discussion of the collisional dynamics of particulate disks. Collisions are assumed to be inelastic from the outset. A simple heuristic argument is used to compute the effective collision rate in a disk of spherical particles with a power-law distribution of sizes. For Saturn's rings, the effective collision rate for momentum transport is substantially lower than that conventionally estimated on the basis of an observed optical depth at visual wavelengths. The closure of the vertically integrated set of moment equations without discarding the third-order moments at the outset is discussed, allowing for the possibility of a bent disk. In the limit that the collision frequency is much larger than the orbit frequency, the usual Navier-Stokes equations of viscous hydrodynamics for a thin disk are recovered with an explicit expression for the shear viscosity. The method is generalized to include the effects of gravitational scattering.

Shu, F. H.↗
DOE OSTI2023

Adjoint DSMC for nonlinear spatially-homogeneous Boltzmann equation with a general collision model

We derive an adjoint method for the Direct Simulation Monte Carlo (DSMC) method for the spatially homogeneous Boltzmann equation with a general collision law. This generalizes our previous results in Caflisch et al., which was restricted to the case of Maxwell molecules, for which the collision rate is constant. The main difficulty in generalizing the previous results is that a rejection sampling step is required in the DSMC algorithm in order to handle the variable collision rate. We find a new term corresponding to the so-called score function in the adjoint equation and a new adjoint Jacobian matrix capturing the dependence of the collision parameter on the velocities. The new formula works for a much more general class of collision models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2006

Critical Evaluation of Chemical Reaction Rates and Collision Cross Sections of Importance in the Earth's Upper Atmosphere and the Atmospheres of Other Planets, Moons, and Comets

We propose to establish a long-term program of critical evaluation by domain experts of the rates and cross sections for atomic and molecular processes that are needed for understanding and modeling the atmospheres in the solar system. We envision data products resembling those of the JPL/NASA Panel for Data Evaluation and the similar efforts of the international combustion modeling community funded by US DoE and its European counterpart.

Huestis, David L.↗
NASA NTRS1995

Some Developments of the Equilibrium Particle Simulation Method for the Direct Simulation of Compressible Flows

The direct simulation Monte Carlo (DSMC) method is the established technique for the simulation of rarefied gas flows. In some flows of engineering interest, such as occur for aero-braking spacecraft in the upper atmosphere, DSMC can become prohibitively expensive in CPU time because some regions of the flow, particularly on the windward side of blunt bodies, become collision dominated. As an alternative to using a hybrid DSMC and continuum gas solver (Euler or Navier-Stokes solver) this work is aimed at making the particle simulation method efficient in the high density regions of the flow. A high density, infinite collision rate limit of DSMC, the Equilibrium Particle Simulation method (EPSM) was proposed some 15 years ago. EPSM is developed here for the flow of a gas consisting of many different species of molecules and is shown to be computationally efficient (compared to DSMC) for high collision rate flows. It thus offers great potential as part of a hybrid DSMC/EPSM code which could handle flows in the transition regime between rarefied gas flows and fully continuum flows. As a first step towards this goal a pure EPSM code is described. The next step of combining DSMC and EPSM is not attempted here but should be straightforward. EPSM and DSMC are applied to Taylor-Couette flow with Kn = 0.02 and 0.0133 and S(omega) = 3). Toroidal vortices develop for both methods but some differences are found, as might be expected for the given flow conditions. EPSM appears to be less sensitive to the sequence of random numbers used in the simulation than is DSMC and may also be more dissipative. The question of the origin and the magnitude of the dissipation in EPSM is addressed. It is suggested that this analysis is also relevant to DSMC when the usual accuracy requirements on the cell size and decoupling time step are relaxed in the interests of computational efficiency.

Macrossan, M. N.↗
NASA NTRS1980

Ion chemistry in interstellar space

The temperature dependence of the bimolecular reactions of Cl(+), HCl(+), CH(+), CH2(+), N(+), NH(+), and NH2(+) reacting with H2 have been investigated. For Cl(+) and HCl(+) rate constants have been determined over the temperature range of 150 to 400 K. Preliminary data have been obtained for the other systems. The Cl(+)/H2 system shows a weak, but significant positive temperature dependence that could be important in interstellar modeling studies. The HCl(+)/H2 system shows a substantial negative temperature dependence with the rate constant approaching the collision rate at low temperatures. The association reaction CH3(+) + HCN yields CH3 HCN(+) has been theoretically modeled using statistical phase space theory. Both radiative and collisional stabilization have been included. The results are compared with experiment with good agreement obtained over wide variations in T and p. This system is potentially important in the mechanism of large molecule synthesis in interstellar space.

Bowers, M. T.↗
DOE OSTI2020

“Third-body” collision parameters for hydrocarbons, alcohols, and hydroperoxides and an effective internal rotor approach for estimating them

Collision rate constants and third-body collision efficiencies are calculated for more than 300 alkanes, alcohols, and hydroperoxides, for the bath gases He, Ar, H 2 , and N 2 , and from 300 to 2000 K. The data set includes highly branched species and species with as many as 16 nonhydrogen atoms N , and it is analyzed to develop strategies for estimating collision properties more generally. Simple analytic formulas describing the Lennard-Jones collision parameters $σ$ and $ε$ are obtained for each of the three classes of systems as a function of N . Trends in the collision efficiency range parameter $α$ = $\langle$Δ E d $\rangle$ are more complicated, and a method is developed and validated for estimating $α$ based on the numbers and types of internal rotors and oxygen-containing groups. Specifically, the approach maps the expected value of $α$ for a branched alkane, alcohol, or hydroperoxide onto those for the corresponding normal (linear) series via an effective number of nonhydrogen atoms N eff . The prescription for N eff is based on counting internal rotor types and is shown to be insensitive to temperature and fairly insensitive to the identity of the bath gas. Together, these strategies allow for the ready estimation of the collision parameters $σ$, $ε$, and $α$ so long as results for the associated linear series are available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗