Search NASA⌕ Search

SEARCH · Search NASA

Results for “kinetic modeling”

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.

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

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Measurements of Protein Crystal Face Growth Rates

Protein crystal growth rates will be determined for several hyperthermophile proteins.; The growth rates will be assessed using available theoretical models, including kinetic roughening.; If/when kinetic roughening supersaturations are established, determinations of protein crystal quality over a range of supersaturations will also be assessed.; The results of our ground based effort may well address the existence of a correlation between fundamental growth mechanisms and protein crystal quality.

Gorti, S.↗
NASA NTRS1993

Mathematical Description of Complex Chemical Kinetics and Application to CFD Modeling Codes

A major effort in combustion research at the present time is devoted to the theoretical modeling of practical combustion systems. These include turbojet and ramjet air-breathing engines as well as ground-based gas-turbine power generating systems. The ability to use computational modeling extensively in designing these products not only saves time and money, but also helps designers meet the quite rigorous environmental standards that have been imposed on all combustion devices. The goal is to combine the very complex solution of the Navier-Stokes flow equations with realistic turbulence and heat-release models into a single computer code. Such a computational fluid-dynamic (CFD) code simulates the coupling of fluid mechanics with the chemistry of combustion to describe the practical devices. This paper will focus on the task of developing a simplified chemical model which can predict realistic heat-release rates as well as species composition profiles, and is also computationally rapid. We first discuss the mathematical techniques used to describe a complex, multistep fuel oxidation chemical reaction and develop a detailed mechanism for the process. We then show how this mechanism may be reduced and simplified to give an approximate model which adequately predicts heat release rates and a limited number of species composition profiles, but is computationally much faster than the original one. Only such a model can be incorporated into a CFD code without adding significantly to long computation times. Finally, we present some of the recent advances in the development of these simplified chemical mechanisms.

Bittker, D. A.↗
NASA NTRS2016

Composite Cure Process Modeling and Simulations using COMPRO(Registered Trademark) and Validation of Residual Strains using Fiber Optics Sensors

Composite cure process induced residual strains and warping deformations in composite components present significant challenges in the manufacturing of advanced composite structure. As a part of the Manufacturing Process and Simulation initiative of the NASA Advanced Composite Project (ACP), research is being conducted on the composite cure process by developing an understanding of the fundamental mechanisms by which the process induced factors influence the residual responses. In this regard, analytical studies have been conducted on the cure process modeling of composite structural parts with varied physical, thermal, and resin flow process characteristics. The cure process simulation results were analyzed to interpret the cure response predictions based on the underlying physics incorporated into the modeling tool. In the cure-kinetic analysis, the model predictions on the degree of cure, resin viscosity and modulus were interpreted with reference to the temperature distribution in the composite panel part and tool setup during autoclave or hot-press curing cycles. In the fiber-bed compaction simulation, the pore pressure and resin flow velocity in the porous media models, and the compaction strain responses under applied pressure were studied to interpret the fiber volume fraction distribution predictions. In the structural simulation, the effect of temperature on the resin and ply modulus, and thermal coefficient changes during curing on predicted mechanical strains and chemical cure shrinkage strains were studied to understand the residual strains and stress response predictions. In addition to computational analysis, experimental studies were conducted to measure strains during the curing of laminated panels by means of optical fiber Bragg grating sensors (FBGs) embedded in the resin impregnated panels. The residual strain measurements from laboratory tests were then compared with the analytical model predictions. The paper describes the cure process procedures and residual strain predications, and discusses pertinent experimental results from the validation studies.

Sreekantamurthy, Thammaiah↗
NASA NTRSDate not supplied

Features of Afterbody Radiative Heating for Jupiter Entry

In this extended abstract, a preliminary analysis of a trajectory-based heating and ablation study in the afterbody of a Jovian entry probe is presented. The radiative flux in the afterbody impinging on the backshell of the probe is investigated with and without the presence of ablation product gas. The heritage tangent-slab approximation for radiative heating is shown to underpredict the radiative heating by as much as 50% in the afterbody making the highfidelity, yet computationally expensive, ray-tracing approach necessary to accurately predict the radiative heating predictions. An investigation into the merits of employing the ray-tracing approach for the prediction of the divergence of radiative flux in the afterbody flow field will be presented in the final manuscript. Nonequilibrium effects in the afterbody region will be investigated in the final manuscript including the impact of electron-ion recombination rates. To bound the problem based on the best available knowledge, an uncertainty analysis will be performed. Sources of uncertainty are identified in the ablation modeling, radiation modeling, flowfield kinetics, and thermodynamic properties of select species.

Thermophysics↗
NASA NTRS2023

Parameter Dependencies of Early-Stage Tangential Discontinuity-Driven Foreshock Bubbles in Local Hybrid Simulations

Foreshock bubbles (FBs) are significant foreshock transients that can accelerate particles and disturb the magnetosphere-ionosphere system. In the kinetic formation model, foreshock ions interact with the discontinuity by performing partial gyrations to generate currents that change the magnetic field topology around the discontinuity. However, how different foreshock ion properties affect the growth of the field variations is not well understood. Therefore, we use 2-D local hybrid simulations to study the effects of different foreshock ion distributions and properties on the growth of tangential discontinuity (TD)-driven FBs. We discover that for a gyrophase-bunched distribution with an initial phase where the guiding center is on the other side of the TD, the foreshock ions gyrate together across the TD, causing more foreshock ions to cross the TD and leading to a faster expansion of the structure than for a Maxwellian distribution. A ring distribution also yields higher expansion speeds because of the higher projected velocity into the new perpendicular direction. For Maxwellian distributions, there are positive and linear correlations of the FB expansion speeds with the initial foreshock ion densities, thermal speeds, parallel speeds, and sine of the TD magnetic shear angles. These parameter dependencies grow in strength as the structures evolve with time. The foreshock ion distributions and properties that lead to stronger currents produce more significant magnetic field variations and higher expansion speeds. Our study helps quantify the formation and expansion of FBs to forecast their space weather effects and contribution to shock acceleration.

Andrew Vu↗
NASA NTRS2022

Hybrid simulations of a tangential discontinuity-driven foreshock bubble formation in comparison with a hot flow anomaly formation

Hot flow anomalies (HFAs) and foreshock bubbles (FBs) are significant foreshock transients that can accelerate particles and disturb the magnetosphere-ionosphere system. Yet, their early formation mechanisms are still not fully understood. To investigate the formation of tangential discontinuity (TD)-driven FBs and HFAs, we use 2-D local hybrid simulations where a reflected or an injected warm foreshock ion beam can interact with a TD whose half-thickness is comparable to the ion inertial scale. We show that the foreshock ions perform a partial gyration within, or across, the TD. Bulk motion differences between partially-gyrating foreshock ions and fluid-electrons lead to the generation of currents. As the trigger, these foreshock-driven currents change the magnetic field topology around the TD and force the frozen-in solar wind plasma to redistribute along with the field lines, shaping the foreshock transient. This confirms a recently proposed kinetic formation model. The extent of the magnetic field direction change across the TD within the foreshock ion gyromotion determines the current profile and thus the type of foreshock transient that forms. For a thin TD, the foreshock ions generate a current that is much stronger on the upstream side than the downstream side, forming an FB with one upstream compressional boundary. For the same foreshock ion gyroradius and magnetic shear, a thick TD yields comparable foreshock-driven currents on the upstream and downstream sides, forming an HFA with two compressional boundaries. Our study suggests that the TD thickness is one of the factors that determine the formation of FBs and HFAs

Andrew Vu↗
NASA NTRS1984

Group-kinetic scaling as a basis for modeling large scale turbulence

It was found that new concepts and methods were needed to develop a statistical theory of turbulence. The group kinetic method was devised for the transformation of the dynamical system into a kinetic system as the basis for a statistical treatment of turbulence. Spectral structure is used as a basis for turbulence modeling.

Tchen, C. M.↗
NASA NTRS1996

A new methodology to determine kinetic parameters for one- and two-step chemical models

In this paper, a new methodology to determine kinetic parameters for simple chemical models and simple transport properties classically used in DNS of premixed combustion is presented. First, a one-dimensional code is utilized to performed steady unstrained laminar methane-air flame in order to verify intrinsic features of laminar flames such as burning velocity and temperature and concentration profiles. Second, the flame response to steady and unsteady strain in the opposed jet configuration is numerically investigated. It appears that for a well determined set of parameters, one- and two-step mechanisms reproduce the extinction limit of a laminar flame submitted to a steady strain. Computations with the GRI-mech mechanism (177 reactions, 39 species) and multicomponent transport properties are used to validate these simplified models. A sensitivity analysis of the preferential diffusion of heat and reactants when the Lewis number is close to unity indicates that the response of the flame to an oscillating strain is very sensitive to this number. As an application of this methodology, the interaction between a two-dimensional vortex pair and a premixed laminar flame is performed by Direct Numerical Simulation (DNS) using the one- and two-step mechanisms. Comparison with the experimental results of Samaniego et al. (1994) shows a significant improvement in the description of the interaction when the two-step model is used.

Mantel, T.↗
NASA NTRS2010

Modeling of Alkane Oxidation Using Constituents and Species

It is currently not possible to perform simulations of turbulent reactive flows due in particular to complex chemistry, which may contain thousands of reactions and hundreds of species. This complex chemistry results in additional differential equations, making the numerical solution of the equation set computationally prohibitive. Reducing the chemical kinetics mathematical description is one of several important goals in turbulent reactive flow modeling. A chemical kinetics reduction model is proposed for alkane oxidation in air that is based on a parallel methodology to that used in turbulence modeling in the context of the Large Eddy Simulation. The objective of kinetic modeling is to predict the heat release and temperature evolution. This kinetic mechanism is valid over a pressure range from atmospheric to 60 bar, temperatures from 600 K to 2,500 K, and equivalence ratios from 0.125 to 8. This range encompasses diesel, HCCI, and gas-turbine engines, including cold ignition. A computationally efficient kinetic reduction has been proposed for alkanes that has been illustrated for n-heptane using the LLNL heptane mechanism. This model is consistent with turbulence modeling in that scales were first categorized into either those modeled or those computed as progress variables. Species were identified as being either light or heavy. The heavy species were decomposed into defined 13 constituents, and their total molar density was shown to evolve in a quasi-steady manner. The light species behave either in a quasi-steady or unsteady manner. The modeled scales are the total constituent molar density, Nc, and the molar density of the quasi-steady light species. The progress variables are the total constituent molar density rate evolution and the molar densities of the unsteady light species. The unsteady equations for the light species contain contributions of the type gain/loss rates from the heavy species that are modeled consistent with the developed mathematical forms for the total constituent molar density rate evolution; indeed, examination of these gain/loss rates shows that they also have a good quasi-steady behavior with a functional form resembling that of the constituent rate. This finding highlights the fact that the fitting technique provides a methodology that can be repeatedly used to obtain an accurate representation of full or skeletal kinetic models. Assuming success with the modified reduced model, the advantage of the modeling approach is clear. Because this model is based on the Nc rate rather than on that of individual heavy species, even if the number of species increases with increased carbon number in the alkane group, providing that the quasi-steady rate aspect persists, then extension of this model to higher alkanes should be conceptually straightforward, although it remains to be seen if the functional fits would remain valid or would require reconstruction.

Bellan, Jasette↗
NASA NTRS1988

A multiple-time-scale turbulence model based on variable partitioning of turbulent kinetic energy spectrum

The paper presents a multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method. Consideration is given to a class of turbulent boundary layer flows and of separated and/or swirling elliptic turbulent flows. For the separated and/or swirling turbulent flows, the present turbulence model yielded significantly improved computational results over those obtained with the standard k-epsilon turbulence model.

Kim, S.-W.↗
NASA NTRS1988

Turbulence modeling in hypersonic inlets

A study is conducted to analyze the performance of different turbulence models when applied to flow through a Mach 7.4 hypersonic inlet. The analysis, which is two-dimensional, is done by comparing computational results from a Parabolized Navier-Stokes code and a full Navier-Stokes code, with experimental data. The McDonald-Camarata (MC) and Baldwin-Lomax (BL) models were the two zero-equation models used in the study. The Turbulent Kinetic Energy (TKE) model was chosen as a representative higher order model. The MC model, when run with transition of flow, provides a solution which compares excellently with the data. Transition has a first order effect on the overall solution provided by the code. The BL model predicts separation of flow in the inlet, which contradicts experimental findings. The TKE model does not perform any better than the MC and BL models, despite the fact that it is a higher order turbulence model. The BL and TKE models predict transition in the inlet at a location which is much earlier than observed in the experiment. This may be attributed to the empirical constants used to determine the point of transition.

Ng, W. F.↗
NASA NTRS2007

Core Physics and Kinetics Calculations for the Fissioning Plasma Core Reactor

Highly efficient, compact nuclear reactors would provide high specific impulse spacecraft propulsion. This analysis and numerical simulation effort has focused on the technical feasibility issues related to the nuclear design characteristics of a novel reactor design. The Fissioning Plasma Core Reactor (FPCR) is a shockwave-driven gaseous-core nuclear reactor, which uses Magneto Hydrodynamic effects to generate electric power to be used for propulsion. The nuclear design of the system depends on two major calculations: core physics calculations and kinetics calculations. Presently, core physics calculations have concentrated on the use of the MCNP4C code. However, initial results from other codes such as COMBINE/VENTURE and SCALE4a. are also shown. Several significant modifications were made to the ISR-developed QCALC1 kinetics analysis code. These modifications include testing the state of the core materials, an improvement to the calculation of the material properties of the core, the addition of an adiabatic core temperature model and improvement of the first order reactivity correction model. The accuracy of these modifications has been verified, and the accuracy of the point-core kinetics model used by the QCALC1 code has also been validated. Previously calculated kinetics results for the FPCR were described in the ISR report, "QCALC1: A code for FPCR Kinetics Model Feasibility Analysis" dated June 1, 2002.

Butler, C.↗
NASA NTRS1979

Spatial and time domain spectral energetics in the GLAS circulation model

Zonally averaged eddy kinetic energies and time domain energetics spectra were calculated for the GLAS general circulation model. The spatial results show significant improvements in the magnitude and distribution of the eddy kinetic energy. The spectral results provide a technique for tracing when and where the model predictions diverge from observations.

Tenenbaum, J.↗
NASA NTRS1987

Navier-Stokes cascade analysis with a stiff Kappa-Epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗
NASA NTRS1988

Navier-Stokes cascade analysis with a stiff k-epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗
NASA NTRS1992

A new two-temperature dissociation model for reacting flows

A new two-temperature dissociation model for flows undergoing compression is derived from kinetic theory. The model minimizes uncertainties associated with the two-temperature model of Park. The effects of the model on AOTV type flowfields are examined and compared with the Park model. Calculations are carried out for flows with and without ionization. When considering flows with ionization, a four temperature model is employed. For Fire II conditions, the assumption of equilibrium between the vibrational and electron-electronic temperatures is somewhat poor. A similar statement holds for the translational and rotational temperatures. These trends are consistent with results obtained using the direct simulation Monte Carlo method.

Olynick, David R.↗
NASA NTRS2016

Heating and Acceleration of Solar Wind Ions by Turbulent Wave Spectrum in Inhomogeneous Expanding Plasma

Near the Sun (< 10Rs) the acceleration, heating, and propagation of the solar wind are likely affected by the background inhomogeneities of the magnetized plasma. The heating and the acceleration of the solar wind ions by turbulent wave spectrum in inhomogeneous plasma is studied using a 2.5D hybrid model. The hybrid model describes the kinetics of the ions, while the electrons are modeled as massless neutralizing fluid in an expanding box approach. Turbulent magnetic fluctuations dominated by power-law frequency spectra, which are evident from in-situ as well as remote sensing measurements, are used in our models. The effects of background density inhomogeneity across the magnetic field on the resonant ion heating are studied. The effect of super- Alfvenic ion drift on the ion heating is investigated. It is found that the turbulent wave spectrum of initially parallel propagating waves cascades to oblique modes, and leads to enhanced resonant ion heating due to the inhomogeneity. The acceleration of the solar wind ions is achieved by the parametric instability of large amplitude waves in the spectrum, and is also affected by the inhomogeneity. The results of the study provide the ion temperature anisotropy and drift velocity temporal evolution due to relaxation of the instability. The non-Maxwellian velocity distribution functions (VDFs) of the ions are modeled in the inhomogeneous solar wind plasma in the acceleration region close to the Sun.

Ofman, Leon↗