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Results for “elementary kinetics”

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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22 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Prediction of prompt NO(x) in hydrocarbon air flames

The gas turbine industry is directing particular attention to very low NOx combustors, whether for aircraft or land based CCGT systems. These low NOx combustors frequently use liquid fuels or natural gas burning under very lean premixed conditions with air or under rich-lean conditions, although only the first case is studied here. In land based systems, diluted steam or nitrogen are sometimes injected into the combustion chambers to reduce flame temperature. The NOx emissions from such systems are the product of three chemical mechanisms which are interrelated: the hydrocarbon prompt NO, the thermal NO (extended Zeldovich mechanism), and the nitrous oxide route to NO. Formation of NO2 from NO also occurs, as well as emission of carbon monoxide and unburnt hydrocarbons. When the fuel-oxidant proportion decreases towards leaner conditions, flame temperatures are lowered, resulting in the total NO being reduced and the thermal-NO contribution greatly diminished to the benefit of the remaining two mechanisms of NO formation. While knowledge of the elementary reactions and their chemical kinetics concerning methane and simple hydrocarbons combustion has existed for a number of years, its use for computer modeling is limited to simple flow dynamics configurations. Nevertheless, understanding of such combusting flows under a wide range of experimental conditions allows for analogies or speculations with more complex actual systems. Such understanding can be achieved by means of one dimensional laminar premixed flame modeling, with a full chemical mechanism which incorporates the three routes of NO formation. Complementary to this understanding is the modeling of the actual combustion system using a full description of the fluid dynamics coupled with a reduced chemical scheme, which is then compared against the first model. The objective of this investigation is to evaluate the relative importance of the three mechanisms of NO formation in lean premixed methane-air combustion with increasing pressure using the one dimensional plug flow package PREMIX, and to test the validity of a three dimensional model with a global chemical mechanism against the one dimensional model in the atmospheric pressure case. Methane is chosen because it is the only mechanism which is reasonably well known and is a good guide to the behavior of other hydrocarbons. The mixture ratio chosen is richer than that in lean gas turbines, but the combustion of this mixture with the low preheat gives realistic gas turbine final flame temperatures. Conditions of NO2 formation are also analyzed in the one dimensional model and results extrapolated to the case of gas turbines.

Valerie Dupont↗
NASA NTRS1963

The Hall Current Plasma Accelerator

A theoretical and experimental investigation has been made of the operation of a relatively new type of plasma accelerator - the Hall Current Accelerator. This device employs the radial component of a fringing magnetic field, a Hall induced current, and an axial discharge to obtain the electromagnetic acceleration of a neutral plasma.

Plasma acceleration↗
NASA NTRS2026

Hybrid Modeling Study on Grain Evolution in the Metal Welding Process and Its Potential Lunar Application

Metal is most commonly used structural material in a wide range of spacecraft, and welding is the principal method for joining metal components into functional systems. However, conducting welding experiments under extreme environments—such as microgravity or vacuum conditions in space—is prohibitively expensive and experimentally challenging. To overcome these limitations, multi-physics computational welding models provide a cost-effective and versatile alternative. In this work, the authors have developed a coupled thermal (fluid) microstructure simulation framework to model metal welding under varying gravity conditions. The framework integrates a mixed-mode heat transfer formulation (conduction, convection, and radiation) with molten pool fluid dynamics, enabling accurate prediction of temperature fields and weld-pool geometry. A grain growth model is further incorporated to capture the spatial and temporal evolution of microstructure, including grain size distribution and morphological transitions during solidification. This approach provides detailed insight into molten pool evolution and grain-level microstructure development throughout the welding process. By explicitly parameterizing environmental conditions, the model supports extrapolation to off-Earth manufacturing scenarios such as welding on the lunar surface. Tantalum—chosen in this study due to its high melting point, oxidation resistance, and mechanical stability at elevated temperatures—serves as the material system for model demonstration. Beyond Tantalum, the integrated multi-physics framework offers broad applicability for predictive welding simulations of various structural and refractory metals or alloys used in extreme terrestrial or extraterrestrial environments.

kinetic Monte Carlo (SPPARKS)↗
NASA NTRS1960

A Coaxial Flow Reactor - A Gaseous Nuclear-Rocket Concept

Aspects of a new gaseous nuclear-rocket concept are considered. The principle of this type of cavity reactor is one of maintaining the separation of two coaxial streams - fuel within propellant - rather than attaining the separation of fuel propellant gases within the cavity. An acceptably low uranium consumption rate is possible if the fuel stream can be maintained at an axial velocity which is 1/100 to 1/1000 of the propellant velocity. An elementary hydrodynamic analysis for laminar incompressible flow indicates that the average uranium core velocity may only reach 2 to 11 times the initial core velocity for a typical reactor. The results of a 1-D criticality analysis for a D2O/(235)U system show that the effect of shrinking the fuel region within the reactor cavity is not serious; the effects of moderator heating and structural materials on critical mass are also shown. Overall rocket performance calculations are made for reasonable operating conditions; these results indicate that thrusts from 25,000 to 50,000 pounds and accelerations from 10(exp -1) to 3 g are possible.

Herbert Weinstein↗
NASA NTRSDate not supplied

Integrated Process-Structure-Property Simulations for Additive Manufacturing Using the Open-Source Materialite Package

The microstructure and properties of additively manufactured (AM) metals are strongly dependent on process conditions. Therefore, process-structure-property (PSP) simulations are a useful tool for exploring process parameter space, studying process variations, and quantifying uncertainty in material properties. However, integrating process-structure and structure-property simulations often involves connecting multiple software packages. Each package may use unique data structures and require substantial domain knowledge. This presentation demonstrates PSP simulation capabilities of Materialite, an open-source package developed at NASA Langley Research Center. Materialite simplifies model linkages by using a common data structure and model interface, enabling straightforward simulation across a PSP model chain. Physics-based models, including kinetic Monte Carlo and crystal plasticity, are implemented within the package. The model interface is also intended to simplify implementation of new models and enable integration with external simulation tools. Example use cases include uncertainty quantification with PSP models and GPU-accelerated powder bed fusion AM process models.

additive manufacturing↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

The environments experienced by vehicles upon entry into planetary atmospheres generally result in severe aerothermodynamic loading. These flows are characterized by the formation of strong shock waves, behind which high temperatures and non-equilibrium environments are generated, and the accurate prediction of internal energy relaxation and chemical kinetics becomes important. This manuscript focuses on the internal relaxation of the rotational energy of polyatomic molecules. Previous work has described the implementation of a discrete rotational energy model for diatomic molecules (linear rotators). Later, Gimelshein et. al extended this model to include polyatomic molecular internal energies. However, they did not include details on how to generate the particles at equilibrium conditions and centrifugal distortion was not included in their model. The purpose of the present study is to extend the afore-mentioned models to the treatment of discrete rotational energy in polyatomic molecules with the addition of centrifugal distortion. An overview of the background theory needed for the implementation of the model will be given followed by the model itself and verification of the model. For example, sampled versus Boltzmann distributions are compared in Figure 1 for CH3 (oblate rotator – two quantum numbers) and examples of thermal relaxation behavior for linear and non-linear rotators are presented in Figure 2. In addition, comparisons of thermophysical properties will be presented, as well as examples of adiabatic relaxation and application to hypersonic flow.

Rarefied Gas Dynamics↗
NASA NTRS2026

Modeling Study of Hatch Spacing’s Effect on Grain Morphology in Repairing Damaged Metal Parts with Welding and Hatch Spacing’s Potential Use in Lunar Exploration

The welding process is a potential way of repairing a damaged metal component, especially cavity damage caused by a harsh environment like the lunar environment, which is characterized by large temperature differences and reduced gravity. The adjustment of welding parameter (e.g., hatch spacing) can improve production efficiency in the repair process. Seen from the microstructural level, hatch spacing sensitivity affects the metallic grain evolution and morphology in the welding process, which can further influence a repaired part’s mechanical properties; however, the study of hatch spacing’s effect on microstructure is challenging. Traditional experimental procedures are costly and time-consuming, and any change in hatch spacing value needs roll-back of experimental procedure. A modeling study can address the above challenges in experimental observation. In this research, a modeling approach based on the Kinetic Monte Carlo (KMC) Potts theory was used to simulate grain evolution and morphology with three hatch spacings. Through quantifying and analyzing the predicted grain morphologies, the effect of hatch spacing on microstructure in a welding-fabricated part was investigated. The predicted grain morphologies were validated with an EBSD image of welding microstructure, which has been published before. The primary grain morphologies were columnar grains with a small amount of fine equiaxed grains formed in the scanning path centerline. When increasing the hatch spacing, the columnar grains become larger and more lengthy, while the effect of hatch spacing on the equiaxed grains is not obvious.

Welding for repairing↗
NASA NTRS1994

X-Ray Absorption Spectroscopy in High Temperature Oxidation of Metals and Alloys

An experimental technique is described that allows for the joint study of the kinetics and of the oxide structure during the high temperature oxidation of metal surfaces. Oxygen is supplied at the metal through an electrochemical oxygen pump and the oxygen pressure, at the metal surface, is measured during oxidation by a YSZ (yttria stabilized zirconia) oxygen sensor. XAS (x-ray absorption spectroscopy) is performed in fluorescence mode at the cation K edge and after each oxidation step. An appropriate analysis of the XAS spectra could provide information on both the oxidation kinetics and oxide structure. Experimental data on the high temperature oxidation of nickel, cobalt, and Fe(64%)Ni(36%) alloy, at low oxygen pressure, are reported and analyzed according to the proposed data reduction. These results indicate the presented technique to be particularly suitable for studying the hot corrosion of oxide film too thick for common surface spectroscopy (AUGER, ESCA) and too thin for conventional thermogravimetric technique.

Daniele Gozzi↗
NASA NTRSDate not supplied

Mars Sample Retrieval Lander Thermal Protection System Design

The Mars Sample Return (MSR) Sample Retrieval Lander (SRL) was slated to launch in 2031 and enter Mars’ atmosphere after a 15-month cruise. After several iterations of vehicle design and trajectories, the latest mission architecture included a 4.72-meter diameter entry capsule entering the Martian atmosphere at 8 km/s, marking a 3.5x increase in kinetic energy when entering the atmosphere in comparison to Mars 2020. Designed to be the heaviest and fastest vehicle to enter Mars’ atmosphere, SRL required slim mass margins, and as such, the thermal protection system (TPS) design methodology needed to be tailored appropriately. The entry capsule aeroshell is composed of a heatshield, backshell, parachute support cone, and parachute lid, as shown in Fig. 1.

Hannah Alpert↗
NASA NTRSDate not supplied

Boundary Layer Analysis of Shock Tube Flows

Shock tubes offer a controlled environment to reproduce kinetic and radiative phenomena characteristic of atmospheric entry flows under ground-test conditions. The boundary layer developing behind the incident shock wave determines the available test time, influences particle residence times important for similarity scaling, and can affect radiative energy transport. In this study, we couple a quasi-1D space marcher with the compressible boundary-layer equations to numerically compute the post-shock flow in a shock frame of reference for various test gas mixtures representative of different planetary atmospheres. The solvers are individually verified against CFD simulations and analytical correlations available in the literature. Coupled solutions are computed for a finite-rate chemistry in the boundary layer and a non-catalytic isothermal wall. Results yield refined estimates of the maximum separation distance, as well as insights into concentration profiles of relevant species within the boundary layer.

Andrea Fagnani↗
NASA NTRS2026

Electron Velocity Moments in the Solar Wind. I. Calibration of the Wind 3DP EESA Low Detector

Calibrated measurements of electron velocity distribution functions (VDFs) are necessary to characterize fluid and kinetic processes in weakly collisional and nearly collisionless plasmas such as the solar wind. Therefore, we analyzed 3,996,051 electron VDFs observed by the Wind 3DP thermal electron detector near 1 astronomical unit (au) between January 1, 2005 and November 25, 2017. The data were calibrated for each electron VDF to produce accurate velocity moments in the solar wind. This is the first full solar cycle coverage electron velocity moment dataset in the near-Earth solar wind. Herein (Paper I) we discuss the calibration process/algorithms and the velocity moment constraints, uncertainties, and resulting public dataset. In the second paper (Paper II), we statistically analyze the electron velocity moment dataset.

plasmas↗
NASA NTRS1992

Design of A CVD Reactor for the Deposition of Diamond in A Microgravity Environment

There is a growing body of theoretical and experimental evidence suggesting that the uniformity, rate, adhesion, quality, and other key properties of Chemical Vapor Deposition (CVD) diamond coatings are influenced by the gas mixing kinetics in the thermal plasma environment of the reaction chamber. The implementation of, for example, Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) process in microgravity has, thus, been suggested. Such a diamond deposition system, which overcomes the limitations of present systems and which is distiguishable from them by the use of high pressure MPECVD and recirculation of the would be effluent hydrogen and carbon, is described. Given the key fact that there is nothing in the effluent of the MPECVD process that is truly a byproduct or 'waste', the system can, at least in principle, lend itself to being closed loop yet dynamic. The exhaust contains hydrogen and carbon species which can be recirculated to the plasma reactor, that is, since there are no unusable reaction byproducts, the effluent can be fed back to the reaction chamber with no detriment, thus allowing deployment in a microgravity environment.

M L Languell↗
NASA NTRSDate not supplied

Time-History Statistics of Soot Formation in A Model Gas Turbine Combustor

Soot formation is a complex dynamic and intermittent process determined by properties of the fuel, combustor design, and combustor operation. Although the major steps in soot formation (i.e., formation of precursors, inception, growth and evolution) are similar for a variety of carbonaceous fuels, applications, and operating conditions, it remains unclear when the temporal transition between these steps occurs. An engineering prediction tool coupled with computational fluid physics (CFD), therefore needs to accurately model all these complex steps. To develop such a model, we propose the time-history concept for understanding the time dependency of soot formation as a function of local properties (i.e., temperature, velocity, local fuel air ratio, etc.). We continue our previous work with modeling the DLR aero-combustor [1] with our updated in-house CFD code, Open National Combustion Code (OpenNCC), that now includes a Multiple Time-Scale Flamelet Progress Variable approach and a the semi-empirical two-equation soot model. We injected massless tracer particles upstream of the injector region of the combustor to collect time-history statistics of the solution variables. The correlations between the collected statistics with respect to the experimental soot volume fraction data showed that time-history effect of certain flow variables, including turbulent kinetic energy (TKE), and multiple species is indeed important for soot formation. We then conducted a time-history based correlation analysis to determine the key species and the concentration ranges critical for soot formation (C6H5-based nucleation, acetylene-based surface growth, and oxidation with OH and O2). Based on the time-history correlation coefficient (THCC) analysis, we propose possible modifications to improve the current two-equation model.

LES↗
NASA NTRSDate not supplied

Toward Large Field-of-view X-ray Spectrometers with Magnetic Microcalorimeters

A future X-ray telescope mission like Lynx, a X-ray flagship mission concept, requires a large field of view, high energy resolution, and high spatial resolution. The Magnetic Microcalorimeter (MMC) detectors we are developing for such a mission feature a 5-arcminute field of view, approximately 100,000 pixels, each spanning 0.5–1 arcsecond. These detectors require the readout of 8,000 sensors. Three different array types have been designed to meet scientific goals, two of which utilize thermal multiplexing to reduce the number of readout channels in a scheme called “Hydra.” We are currently fabricating detectors on a recently completed buried wiring wafer with connections to every sensor. The sensors are read out using a microwave multiplexer (μMUX) with flux ramp modulation. A single μMUX can read out approximately 1,000 sensors with only two feed lines. We will report on the test of the first two-dimensional μMUX chip, consisting of 78 resonators. μMUX chips that pass screening will be directly bonded to MMC array chips using indium bump bonding. In parallel, we have tested a kinetic inductance traveling wave parametric amplifier (KI-TWPA) to amplify signals at low temperatures. The KI-TWPA exhibits extremely low internal noise, approaching the standard quantum limit. Since the energy resolution of an MMC is primarily limited by the readout system, the KI-TWPA is an ideal amplifier for MMCs with μMUX readout. We recently measured the readout noise of a μMUX with a KI-TWPA, demonstrating its capability for reading out MMC arrays. We present the design and fabrication of the latest MMC detectors, along with its readout performance.

Magntic Microcalorimeters↗
NASA NTRS2020

The Slow Demise of the Long-Lived Sn 2005ip

The Type IIn supernova (SN IIn) 2005ip is one of the most well-studied and long-lasting examples of an SN interacting with its circumstellar environment. The optical light curve plateaued at a nearly constant level for more than five years, suggesting ongoing shock interaction with an extended and clumpy circumstellar medium (CSM). Here, we present continued observations of the SN from ∼1000 to 5000 d post-explosion at all wavelengths, including X-ray, ultraviolet, near-infrared (NIR), and mid-infrared. The UV spectra probe the pre-explosion mass loss and show evidence for CNO processing. From the bolometric light curve, we find that the total radiated energy is in excess of 10 50 erg, the progenitor star’s pre-explosion mass-loss rate was >~ 1 × 10 −2 Mꙩ yr −1 , and the total mass lost shortly before explosion was >~1Mꙩ, though the mass lost could have been considerably larger depending on the efficiency for the conversion of kinetic energy to radiation. The ultraviolet through NIR spectrum is characterized by two high-density components, one with narrow high-ionization lines, and one with broader low-ionization H I, He I, [OI], Mg II, and Fe II lines. The rich Fe II spectrum is strongly affected by Lyα fluorescence, consistent with spectral modelling. Both the Balmer and He I lines indicate a decreasing CSM density during the late interaction period. We find similarities to SN 1988Z, which shows a comparable change in spectrum at around the same time during its very slow decline. These results suggest that, at long last, the shock interaction in SN 2005ip may finally be on the decline.

stars↗
NASA NTRS2026

Space Mission Options for Reconnaissance and Mitigation of Asteroid 2024 YR4

Near-Earth asteroid 2024 YR 4 was discovered on 2024-12-27 and its probability of Earth impact in December 2032 peaked at about 3% on 2025-02-18. Additional observations ruled out Earth impact by 2025-02-23. However, the probability of lunar impact in December 2032 then rose, reaching about 4% by the end of the apparition in May 2025. James Webb Space Telescope (JWST) observations on 2025-03-26 estimated the asteroid's diameter at 60 +/- 7 m. Studies of 2024 YR 4 's potential lunar impact effects suggest lunar ejecta could increase micrometeoroid debris flux in low Earth orbit up to 1000 times above background levels over just a few days, possibly threatening astronauts and spacecraft. In this work, we present options for space missions to 2024 YR 4 that could be utilized if lunar impact is confirmed. We cover flyby & rendezvous reconnaissance, deflection, and robust disruption of the asteroid. We examine both rapid-response and delayed launch options through 2032. We evaluate chemical and solar electric propulsion, various launch vehicles, optimized deep space maneuvers, and gravity assists. Re-tasking extant spacecraft and using built spacecraft not yet launched are also considered. The best reconnaissance mission options launch in late 2028, leaving only approximately three years for development at the time of this writing in August 2025. Deflection missions were assessed and appear impractical. However, kinetic robust disruption missions are available with launches between April 2030 and April 2032. Nuclear robust disruption missions are also available with launches between late 2029 and late 2031. Finally, even if lunar impact is ruled out there is significant potential utility in deploying a reconnaissance mission to characterize the asteroid.

Asteroid Disruption↗
NASA NTRS1997

Analysis of Impact Induced Damage and its Effect on Structural Integrity of Space Flight Composite Overwrapped Pressure Vessels

The objective of this research work has been to provide analytical background and support to the ongoing experimental program at NASA, White Sands Test Facility, involving testing composite overwrapped pressure vessels (COPV) for impact damage and cyclic pressurization. Preliminary theoretical basis, including the governing equations for a shallow shell subjected to internal pressure, has been established. Effects of the Griffith type cracks on the structural integrity of the cylindrical vessel were evaluated by methods of Fracture Mechanics. The results indicate that the effective mass of the pressure vessel is an important factor influencing the response to impact events. We also have found that the material properties of the target, contained in the constitutive equations of the composite attached to the Aluminum liner, dominate the impact event in the low velocity range, the material properties become less important, while the target mass distribution and the impactor mass become more significant as the velocity of the impactor increases. Therefore, at high-velocity impact it is not only the kinetic energy of the impactor but also its mass which has a significant effect on the dynamics of the event, and consequently on the induced damage. This work also suggests a methodology for an assessment of the rate of loading effects on the degradation of the material toughness associated with a high-velocity impact where the rate effects become significant. To model the rate dependence of the material response a viscoelastic-plastic constitutive equations were assumed, and on this basis predictions are made regarding the rate dependent material resistance curve. Other dynamic phenomena associated with the impact event have been treated in the framework of the Computational Mechanics using the courtesy of Prof. P. Guebelle and his graduate student at University of Illinois at Urbana-Champaign who have an access to a super-fast computer located on their campus. Finally, the guidelines for a follow-up research program are provided in the body of this report. They address three major areas: theoretical research, numerical studies, and further experimental work.

Michael P Wnuk↗
NASA NTRS1997

The Effect of Gravity on the Combustion Synthesis of Porous Ceramics and Metal Matrix Composites

Combustion synthesis (self propagating, high temperature synthesis-SHS) is a novel technique that is capable of producing many advanced materials. The ignition temperature (Tig) of such combustion synthesis reactions is often coincident with that of the lowest melting point reactant. The resultant liquid metal wets and spreads around the other solid reactant particles of higher melting points, thereby improving the reactant contact and kinetics, followed by formation of the required compounds. This ignition initiates a combustion propagating wave whose narrow reaction front rapidly travels through the reactants. Since this process is highly exothermic, the heat released by combustion often melts the reactant particles ahead of the combustion front and ignites the adjacent reactant layer, resulting in a self-sustaining reaction. Whenever a fluid phase (liquid or gas) is generated by the reaction system, gravity-driven phenomena can occur. Such phenomena include convective flows of fluid by conventional or unstable convection and settling of the higher density phases. A combustion process is often associated with various kinds of fluid flow. For instance, if the SHS reaction is carried out under inert or reactive gas atmospheres, or a volatile, e.g., B2O3, is deliberately introduced as a reactant, convective flows of the gas will occur due to a temperature gradient existing in the atmosphere when a combustion wave is initiated. The increased gas flow will produce a porous (or expanded) SHS product. Owing to the highly exothermic nature of many SHS reactions, liquid phase(s) can also form before, at, or after the combustion front. The huge temperature gradient at the combustion front can induce convective flows (conventional or unstable) of the liquid phase. Each of these types of convective fluid flow can change the combustion behavior of the synthesizing reaction, and, therefore, the resultant product microstructure. In addition, when two or more phases of different density are produced at or ahead of the propagating combustion front settling of the higher density phase will occur resulting in a non-uniform product microstructure and properties.

J J Moore↗