SEARCH · Search NASA

Results for “Kinetic model”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE neams program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING↗

DOE OSTI2026

Drift-kinetic effects of tungsten on plasma response to RMP in ITER

Here, effects of high- Z ( Z is the particle charge number) tungsten impurity ions on the plasma response to the resonant magnetic perturbation (RMP) field are numerically investigated for the ITER 15 MA baseline scenario, where the tungsten contribution to the plasma response is computed with a drift-kinetic model while the bulk thermal particle contributions follow the fluid approximation. The study yields three highlights: (i) the drift-kinetic contribution of the tungsten impurity exerts minor influence on the plasma response compared to that computed by the pure fluid model without tungsten; (ii) a new figure of merit, based on the resonant spectrum perturbation at the plasma boundary surface, results in different optimal coil phasing compared to that previously obtained by maximizing the edge-peeling plasma response; (iii) the optimal $n = 3$ RMP (for edge localized mode (ELM) control, $n$ is the toroidal mode number) is found to induce a large tungsten particle influx near the plasma edge associated with the neoclassical toroidal viscosity. The study thus provides useful data on the compatibility of the full tungsten wall with RMP ELM control in ITER.

ITER↗

DOE OSTI2026

Rate constants and third-body collision efficiencies for recombination of Na with OH and O2: Implications for flame inhibition by alkali salts

Flame inhibition by alkali metals has implications for solid fuel combustion, fire safety, and a number of industrial processes. While the mechanism of inhibition is fairly well understood, details related to thermodynamic properties and rate constants are still in question. In the present work, the recombination of Na with OH (R5) and O2 (R7), respectively, was characterized theoretically, and the implications for modeling laminar premixed hydrogen flames doped with sodium species were examined. Third-body collision efficiencies and low-pressure-limit rate constants were obtained using newly fitted ab initio-based potential energy surfaces, classical trajectories, and one-dimensional master equation calculations. The results are consistent with available experimental results and aid in the present modeling study by providing rate information for bath gases and conditions that remain unexplored experimentally. Chemical kinetic modeling of relative Na and absolute H and OH profiles in H2-fueled laminar, premixed flames doped with a sodium salt shows that the most important radical removal cycle is the sequence Na + OH (+M) → NaOH (+M) (R5), NaOH + H → Na + H2O (R12), even under oxidizing conditions. A secondary cycle, Na + O2 (+M) ⇄ NaO2 (+M) (R7), NaO2 + OH → NaOH + O2 (R14), is less important due to the low thermal stability of NaO2. In most flames, reaction R7 is partially equilibrated, and reaction R14 becomes rate-limiting for the second cycle. The flame analysis supports a lower value of k14 than indicated by recent work on KO2 + OH, but more work is required to confirm this.

Jasper, Ahren W.↗

NASA NTRS1986

An X-ray photoelectron spectroscopy study of the thermal nitridation of SiO2/Si

The dependence of the nitrogen distribution in thermally nitrided SiO2 films on the nitridation time and temperature has been studied by means of X-ray photoelectron spectroscopy (XPS). The photoelectron peak intensities were measured by fitting Voigt profiles to the XPS spectra and were used to calculate the film composition as a function of film depth, applying an analytical method described in detail. The times of appearance of the maxima in interfacial nitrogen concentration are shown for 800, 1000, and 1150 C, and the data are related to a kinetic model of Vasquez and Madhukar (1985), which considers the effect of interfacial strain on the nitridation kinetics. In addition, the intensity of a fluorine marker (from the HF used in the etching step) was found to correlate with the nitrogen concentration. It is postulated that the F bonds preferentially to defects. This hypothesis and the measured F intensities are consistent with the proposed strain-dependent energy of defect formation.

Vasquez, R. P.↗

NASA NTRS2006

Predicting the Effects of Test Media in Ground-Based Propulsion Testing

This paper discusses the progress of work which began in mid-2004 sponsored by the Office of the Secretary of Defense (OSD) Test & Evaluation/Science & Technology (T&E/S&T) Program. The purpose of the work is to improve the state of the art of CFD capabilities for predicting the effects of the test media on the flameholding characteristics in scramjet engines. The program has several components including the development of advance algorithms and models for simulating engine flowpaths as well as a fundamental experimental and diagnostic development effort to support the formulation and validation of the mathematical models. The paper will provide details of current work involving the development of phenomenological models for Reynolds averaged Navier-Stokes codes, large-eddy simulation techniques and reduced-kinetics models. Experiments that will provide data for the modeling efforts will also be described, along with with the associated nonintrusive diagnostics used to collect the data.

Drummond, J. Philip↗

NASA NTRS2009

Development of Methods to Predict the Effects of Test Media in Ground-Based Propulsion Testing

This report discusses work that began in mid-2004 sponsored by the Office of the Secretary of Defense (OSD) Test & Evaluation/Science & Technology (T&E/S&T) Program. The work was undertaken to improve the state of the art of CFD capabilities for predicting the effects of the test media on the flameholding characteristics in scramjet engines. The program had several components including the development of advanced algorithms and models for simulating engine flowpaths as well as a fundamental experimental and diagnostic development effort to support the formulation and validation of the mathematical models. This report provides details of the completed work, involving the development of phenomenological models for Reynolds averaged Navier-Stokes codes, large-eddy simulation techniques and reduced-kinetics models. Experiments that provided data for the modeling efforts are also described, along with with the associated nonintrusive diagnostics used to collect the data.

Drummond, J. Philip↗

NASA NTRS1971

A comparison of kinetic and hydrodynamic models of an expanding ion-exosphere

Collisionless ion exosphere kinetic and hydrodynamic models comparison for polar wind supersonic flow characteristics

Banks, P. M.↗

NASA NTRS1980

Nuclear-induced XeBr/asterisk/ photolytic laser model

Parameters for a photolytically pumped alkyl iodide lasant gas by the nuclear-induced XeBr excimer fluorescence are calculated according to a detailed kinetic model. High gain on the atomic iodine 2P1/2 state is estimated and 100-mJ pulses with an average power output on the order of 1 kW appear possible.

Wilson, J. W.↗

NASA NTRS2012

Multi-Scale Modeling of Magnetospheric Dynamics

Magnetic reconnection is a key element in many phenomena in space plasma, e.g. Coronal mass Ejections, Magnetosphere substorms. One of the major challenges in modeling the dynamics of large-scale systems involving magnetic reconnection is to quantifY the interaction between global evolution of the magnetosphere and microphysical kinetic processes in diffusion regions near reconnection sites. Recent advances in small-scale kinetic modeling of magnetic reconnection significantly improved our understanding of physical mechanisms controlling the dissipation in the vicinity of the reconnection site in collisionless plasma. However the progress in studies of small-scale geometries was not very helpful for large scale simulations. Global magnetosphere simulations usually include non-ideal processes in terms of numerical dissipation and/or ad hoc anomalous resistivity. Comparative studies of magnetic reconnection in small scale geometries demonstrated that MHD simulations that included non-ideal processes in terms of a resistive term 11 J did not produce fast reconnection rates observed in kinetic simulations. In collisionless magnetospheric plasma, the primary mechanism controlling the dissipation in the vicinity of the reconnection site is nongyrotropic pressure effects with spatial scales comparable with the particle Larmor radius. We utilize the global MHD code BATSRUS and replace ad hoc parameters such as "critical current density" and "anomalous resistivity" with a physically motivated model of dissipation. The primary mechanism controlling the dissipation in the vicinity of the reconnection site in incorporated into MHD description in terms of non-gyrotropic corrections to the induction equation. We will demonstrate that kinetic nongyrotropic effects can significantly alter the global magnetosphere evolution. Our approach allowed for the first time to model loading/unloading cycle in response to steady southward IMF driving. The role of solar wind parameters and ionospheric conductance on the dynamics of the loading/unloading cycle will be discussed.

Kuznetsova, M. M.↗

NASA NTRS1989

Modeling of hypersonic reacting flows

The importance of thermochemical nonequilibrium in hypersonic flow is studied as well as the breakdown of a one-temperature kinetic model. Consideration is given to vibration relaxation, reaction rates, and conservation equations for chemical variables. Experimental data on the pitching moment characteristics of the raked-off blunted elliptic cone geometry proposed for use with an aeroassisted orbit transfer vehicle are presented.

Park, Chul↗

NASA NTRS1985

Modelling of Laser-Enhanced Chemical Vapor Deposition

Research is directed at development of a detailed model of mass and heat transfer and chemical reaction in the pyrolysis of silane for the growth of thin amorphous silicon substrates incorporating laser heating of the gas phase above the film. The model will be the basis for evaluation of the relative importances of the decomposition of SiH4 in the vapor phase, mass transfer of the intermediate species, e.g., SiH2, and the evolution of hydrogen gas. Plans are also underway for developing a model for homogeneous nucleation of Si in the vapor phase to model the rate limitations observed at high gas-phase temperatures and high partial pressures of silane. Work was concentrated on an almost one-dimensional model for the coupling of the CO2 laser beam for heat transfer of the vapor phase with simple kinetic models for SiH4 decomposition and subsequent absorption of Si vapor on the substrate. Mass transfer in the vapor phase is assumed to be solely by diffusion. The role of convection in the vapor phase caused by the large changes in density in and around the center of the laser beam will be analyzed to evaluate the potential of microgravity experiments for increasing the uniformity of the film and the deposition rate.

Brown, R. A.↗

NASA NTRS1997

A model for the kinetics of homotypic cellular aggregation under static conditions

We present the formulation and testing of a mathematical model for the kinetics of homotypic cellular aggregation. The model considers cellular aggregation under no-flow conditions as a two-step process. Individual cells and cell aggregates 1) move on the tissue culture surface and 2) collide with other cells (or aggregates). These collisions lead to the formation of intercellular bonds. The aggregation kinetics are described by a system of coupled, nonlinear ordinary differential equations, and the collision frequency kernel is derived by extending Smoluchowski's colloidal flocculation theory to cell migration and aggregation on a two-dimensional surface. Our results indicate that aggregation rates strongly depend upon the motility of cells and cell aggregates, the frequency of cell-cell collisions, and the strength of intercellular bonds. Model predictions agree well with data from homotypic lymphocyte aggregation experiments using Jurkat cells activated by 33B6, an antibody to the beta 1 integrin. Since cell migration speeds and all the other model parameters can be independently measured, the aggregation model provides a quantitative methodology by which we can accurately evaluate the adhesivity and aggregation behavior of cells.

Non-NASA Center↗

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 NTRS1981

On the structures and mapping of auroral electrostatic potentials

The mapping of magnetospheric and ionospheric electric fields in a kinetic model of magnetospheric-ionospheric electrodynamic coupling proposed for the aurora is examined. One feature is the generalization of the kinetic current-potential relationship to the return current region (identified as a region where the parallel drop from magnetosphere to ionosphere is positive); such a return current always exists unless the ionosphere is electrically charged to grossly unphysical values. A coherent phenomenological picture of both the low energy return current and the high energy precipitation of an inverted-V is given. The mapping between magnetospheric and ionospheric electric fields is phrased in terms of a Green's function which acts as a filter, emphasizing magnetospheric latitudinal spatial scales of order (when mapped to the ionosphere) 50 to 150 km. This same length, when multiplied by electric fields just above the ionosphere, sets the scale for potential drops between the ionosphere and equatorial magnetosphere.

Chiu, Y. T.↗

NASA NTRS1989

Investigation of low NOx staged combustor concept in high-speed civil transport engines

Levels of exhaust emissions due to high temperatures in the main combustor of high-speed civil transport (HSCT) engines during supersonic cruise are predicted. These predictions are based on a new combustor design approach: a rich burn/quick quench/lean burn combustor. A two-stage stirred reactor model is used to calculate the combustion efficiency and exhaust emissions of this novel combustor. A propane-air chemical kinetics model is used to simulate the fuel-rich combustion of jet fuel. Predicted engine exhaust emissions are compared with available experimental test data. The effect of HSCT engine operating conditions on the levels of exhaust emissions is also presented. The work described in this paper is a part of the NASA Lewis Research Center High-Speed Civil Transport Low NO(x) Combustor program.

Nguyen, Hung Lee↗

NASA NTRS1989

Investigation of low NOx staged combustor concept in high-speed civil transport engines

Nguyen, Hung Lee↗

NASA NTRS1973

Experimental and theoretical studies of NO/x/ formation in a jet-stirred combustor.

As an approach to testing kinetic models which couple NO formation to combustion reactions, a jet-stirred combustor was used to study NO(x) formation under kinetically controlled combustion conditions. The experimental data were compared with kinetic calculations for a well-stirred reactor. The agreement between theory and experiment was quite good for the combustion of hydrogen/air and carbon monoxide/air, for which detailed mechanisms were used. A quasi-global mechanism for the combustion of propane/air resulted in substantial underprediction of NO(x) formation.

Engleman, V. S.↗

NASA NTRS1999

On The Development of Biophysical Models for Space Radiation Risk Assessment

Experimental techniques in molecular biology are being applied to study biological risks from space radiation. The use of molecular assays presents a challenge to biophysical models which in the past have relied on descriptions of energy deposition and phenomenological treatments of repair. We describe a biochemical kinetics model of cell cycle control and DNA damage response proteins in order to model cellular responses to radiation exposures. Using models of cyclin-cdk, pRB, E2F's, p53, and GI inhibitors we show that simulations of cell cycle populations and GI arrest can be described by our biochemical approach. We consider radiation damaged DNA as a substrate for signal transduction processes and consider a dose and dose-rate reduction effectiveness factor (DDREF) for protein expression.

Cucinotta, F. A.↗