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Results for “Kinetic methods”

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 NTRS1986

Time-dependent numerical modeling of dust halo formation at comets

The evolution of gas and dust distributions following a spatially and temporally localized comet outburst was calculated using a hybrid kinetic-hydrodynamic method. In the inner coma the time-dependent continuity, momentum, and energy equations of the dusty gas flow were solved simultaneously using 12 dust sizes. Beyond 300 km a three-dimensional kinetic model was used to calculate the trajectory of each individual dust grain. It was found that following the onset of the comet outburst a gas-dust blast wave propagates outward in the inner coma. About 15 minutes after the increased gas and dust production was initiated at the nucleus, a new equilibrium was reached in the inner coma. The most important feature of this new steady state was the significant increase of the dust terminal velocities. These higher terminal velocity values resulted in larger apex distances for dust particles emitted during the outburst. The dust particles spend a relatively long time near their apex points; therefore, the outburst generates long-lasting distinct dust envelopes in front of the regular dust coma.

Gombosi, T. I.↗
NASA NTRSDate not supplied

Simulation of Vacuum Chamber Pressure Distribution with Surrogate Modeling and Uncertainty Quantification

A major challenge in understanding differences in electric propulsion performance in ground tests and in space operations concerns the pressure distribution within the test vacuum chamber. The chamber backpressure is much higher than experienced in space, modifying thruster performance and plume dynamics. Numerical simulation is a key element to determining the background conditions in non-ideal vacuum chamber environments. An important parameter for the accurate simulation of chamber backpressure is the probability that an atom will stick to a cryogenic panel used to pump away the plume gases. This quantity can be used to model vacuum pumps in particle-based kinetic numerical methods. In this work, a three-dimensional direct simulation Monte Carlo code is used to model neutral xenon atoms flowing from the anode of the H9 Hall Effect Thruster within the University of Michigan’s Large Vacuum Test Facility. Simulated pressures are compared with ion gauge pressure measurements to infer the effective sticking coefficient of the chamber’s vacuum pumps. A pressure predicting surrogate model is developed for inference of pump sticking coefficients and for uncertainty quantification. This information enables accurate and useful kinetic simulations of electric propulsion thruster plasma plumes in vacuum chambers.

DSMC↗
DOE OSTI2026

Verification of an energy-conserving semi-implicit electrostatic particle-in-cell scheme for modeling high-density plasma at scale

A verification study of a semi-implicit energy-conserving electrostatic particle-in-cell algorithm is presented. The algorithm relaxes the time-step and mesh-size constraints that require resolution of the plasma period and Debye length associated with traditional explicit momentum-conserving particle-in-cell algorithms. Physical implications and applicability of using the semi-implicit scheme for modeling high-density plasmas are discussed. Where possible, numerical results are compared against analytical solutions. The simulation results indicate that the algorithm is stable at time steps larger than twice the inverse plasma frequency and cell sizes larger than the Debye length. It is found that the algorithm gives adequate results, provided that the distribution function and the spatiotemporal scales dictating the physics of the problem are resolved. As such, the algorithm may provide a robust method for kinetic modeling of high-density plasmas at scale.

Cyclotron resonance↗
DOE OSTI2025

A Performance Portable, Fully Implicit Landau Collision Operator with Batched Linear Solvers

Modern accelerators use hierarchical parallel programming models that enable massive multithreading within a processing element (PE), with multiple PEs per device driven by traditional processes. Batching is a technique for exposing PE-level parallelism in algorithms that have traditionally run on MPI processes or multiple threads within a single process. Opportunities for batching arise in, for example, kinetic discretizations of magnetized plasmas where collisions are advanced in velocity space at each spatial point independently. This paper builds on previous work on a high-performance, fully nonlinear, Landau collision operator by batching the linear solver, as well as batching the spatial point problems and adding new support for multiple grids for multiscale, multispecies problems. An anisotropic relaxation verification test that agrees well with previously published results and analytical models is presented. The performance results from NVIDIA A100 and AMD MI250X nodes are presented with hardware utilization analysis for each architecture. Finally, the entire implicit Landau operator time advance is implemented in Kokkos for performance portability, running entirely on the device and is available in the PETSc numerical library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗
NASA NTRS1969

Fuel cells- Their electrochemistry

Book on fuel cells electrochemistry covering direct energy conversion methods, electrode kinetics, electrocatalysis, organic substances, electrochemical combustion, research techniques, etc

Bockris, J. OM.↗
NASA NTRS1972

Optimal utilization of total elastic scattering cross section data for the determination of interatomic potentials

The problem of inversion is considered in relation to absolute total cross sections Q(v) for atom-atom collisions and their velocity dependence, and the glory undulations and the transition to high velocity behavior. There is a limit to the amount of information available from Q(v) even when observations of good accuracy (e.g., + or - 0.25%) are in hand over an extended energy range (from thermal energies upward by a factor of greater than 1000 in relative kinetic energy). Methods were developed for data utilization, which take full advantage of the accuracy of the experimental Q(v) measurements.

Bernstein, R. B.↗
NASA NTRS1972

Interplanetary gas dynamics.

Observations of the interplanetary medium are considered together with the structure of the solar atmosphere and the kinetic properties of the interplanetary plasma. Methods of gas kinetics and continuum flows are examined, taking into account microscopic and macroscopic representations, the kinetic flow equations, the formal solution of the Vlasov equation, and the continuum flow equations. The collective particle behavior of that interplanetary gas is discussed along with the hydrodynamic coronal expansion, a wave-pump problem, the free expansion phenomenon, and a generalized free expansion problem.

Liu, V. C.↗
NASA NTRS1979

Method and turbine for extracting kinetic energy from a stream of two-phase fluid

An axial flow separator turbine is described which includes a number of nozzles for delivering streams of a two-phase fluid along linear paths. A phase separator which responsively separates the vapor and liquid is characterized by concentrically related annuli supported for rotation within the paths. The separator has endless channels for confining the liquid under the influence of centrifugal forces. A vapor turbine fan extracts kinetic energy from the liquid. Angular momentum of both the liquid phase and the vapor phase of the fluid is converted to torque.

Elliott, D. G.↗
NASA NTRS1979

Ion-molecule processes in lasers

Three classes of molecular electronic transition lasers produced by hybrid pumping of high pressure rate gas mixtures are discussed. These are (1) rare gas dimer lasers (such as excited Ar2, Kr2, and Xe2) lasing in the VUV, (2) rare gas halide lasers or excimer lasers (such as KrF, ArF, and XeCl excimers) lasing in the UV, and (3) the charge transfer molecular ion laser (such as N2/+/) lasing in the visible range. Laser excitation methods and kinetic sequences are examined for these lasers.

Laudenslager, J. B.↗
NASA NTRS1985

Measurements of HO2 chemical kinetics with a new detection method

In this research program, HO2 was detected by the OH(A-X) photofragment from dissociative excitation of HO2 at 147 nm. This detection method was applied to measure the reaction rate constant of HO2 + O3. This reaction rate constant is needed for the understanding of stratospheric chemistry. Since C12 was used in the flow system, photoexcitation of C12 may produce fluorescence to interfere with the measurements. Thus, the photoexcitation process of C12 in the vacuum ultraviolet region was also examined in this research period using synchrotron radiation as a light source. The research results are summarized.

Lee, L. C.↗
NASA NTRS1986

Measurements of HO2 chemical kinetics with a new detection method

Research for the period from December 1, 1985 to May 31, 1986 is discussed, i.e., the reaction rate constant of HO2+O3 has been measured with a discharge-flow-tube apparatus. The HO2 radical was detected by the OH(A-X) photofragment emission produced from photodissociative excitation of HO2 at 147 nm. In the meantime, the optical emissions produced by the vacuum ultraviolet excitation of chemical species in the flow tube were investigated and used to examine the possibility for their interference with the HO2 detection. The research results are summarized below.

Lee, L. C.↗
NASA NTRS1986

Modeling of dust halo formation following comet outbursts Preliminary results

Evolution of gas and dust distributions following a spatially and temporally localized comet outburst was calculated using a hybrid kinetic - hydrodynamic method. It was found that a comet outburst resulted in significantly increased dust terminal velocities. As these higher terminal velocity values result in larger apex distances, therefore the outburst generates distinct dust envelopes in front of the regular dust coma. Such envelopes were observed at several comets (cf. comet Donati).

Gombosi, T. I.↗
NASA NTRS1986

Measurement of HO2 chemical kinetics with a new detection method

Reaction rate constants of HO2+O3 were measured at various temperatures using a newly developed HO2 detection method. HO2 was detected by the OH(A-X) emission produced from photodissociative excitation of HO2 at 147 nm. In order to examine the possible interference of other emitting species with the HO2 detection, the photoexcitation processes of all the chemical species existing in the discharge flow tube were also investigated. The results are summarized.

Lee, Long C.↗
NASA NTRS1987

Evaporation kinetics in the hanging drop method of protein crystal growth

An engineering analysis of the rate of evaporation of solvent in the hanging drop method of protein crystal growth is presented; these results are applied to 18 different drop and well arrangements commonly encountered in the laboratory, taking into account the chemical nature of the salt, the drop size and shape, the drop concentration, the well size, the well concentration, and the temperature. It is found that the rate of evaporation increases with temperature, drop size, and with the salt concentration difference between the drop and the well. The evaporation possesses no unique half-life. Once the salt in the drop achieves about 80 percent of its final concentration, further evaporation suffers from the law of diminishing returns.

Baird, James K.↗
NASA NTRS1949

Heat transfer to bodies traveling at high speed in the upper atmosphere

A general method has been developed, using the methods of kinetic theory, whereby the surface temperatures of bodies can be calculated for steady flight at any speed in a rarefied gas. The particular solution was made for a flat plate; however, the calculations can be easily extended to bodies of arbitrary shape.

Stalder, Jackson R↗
NASA NTRS2011

Merging for Particle-Mesh Complex Particle Kinetic Modeling of the Multiple Plasma Beams

We suggest a merging procedure for the Particle-Mesh Complex Particle Kinetic (PMCPK) method in case of inter-penetrating flow (multiple plasma beams). We examine the standard particle-in-cell (PIC) and the PMCPK methods in the case of particle acceleration by shock surfing for a wide range of the control numerical parameters. The plasma dynamics is described by a hybrid (particle-ion-fluid-electron) model. Note that one may need a mesh if modeling with the computation of an electromagnetic field. Our calculations use specified, time-independent electromagnetic fields for the shock, rather than self-consistently generated fields. While a particle-mesh method is a well-verified approach, the CPK method seems to be a good approach for multiscale modeling that includes multiple regions with various particle/fluid plasma behavior. However, the CPK method is still in need of a verification for studying the basic plasma phenomena: particle heating and acceleration by collisionless shocks, magnetic field reconnection, beam dynamics, etc.

Lipatov, Alexander S.↗