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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Understanding the interplay between pilot fuel mixing and auto-ignition chemistry in hydrogen-enriched environment

The diesel-piloted dual-fuel compression ignition combustion strategy is well-suited to accelerate the decarbonization of transportation by adopting hydrogen as a renewable energy carrier into the existing internal combustion engine with minimal engine modifications. Despite the simplicity of engine modification, many questions remain unanswered regarding the optimal pilot injection strategy for reliable ignition with minimum pilot fuel consumption. The present study uses a single-cylinder heavy-duty optical engine to explore the phenomenology and underlying mechanisms governing the pilot fuel ignition and the subsequent combustion of a premixed hydrogen-air charge. The engine is operated in a dual-fuel mode with hydrogen premixed into the engine intake charge with a direct pilot injection of n-heptane as a diesel pilot fuel surrogate. Optical diagnostics used to visualize in-cylinder combustion phenomena include high-speed IR imaging of the pilot fuel spray evolution as well as high-speed HCHO* and OH* chemiluminescence as indicators of low-temperature and high-temperature heat release, respectively. Three pilot injection strategies are compared to explore the effects of pilot fuel mass, injection pressure, and injection duration on the probability and repeatability of successful ignition. The thermodynamic and imaging data analysis supported by zero-dimensional chemical kinetics simulations revealed a complex interplay between the physical and chemical processes governing the pilot fuel ignition process in a hydrogen containing charge. Hydrogen strongly inhibits the ignition of pilot fuel mixtures and therefore requires longer injection duration to create zones with sufficiently high pilot fuel concentration for successful ignition. Results show that ignition typically tends to rely on stochastic pockets with high pilot fuel concentration, which results in poor repeatability of combustion and frequent misfiring. In conclusion, this work has improved the understanding on how the unique chemical properties of hydrogen pose a challenge for maximization of hydrogen’s energy share in hydrogen dual-fuel engines and highlights a potential mitigation pathway.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2005

An Experimental Study of n-Heptane and JP-7 Extinction Limits in an Opposed Jet Burner

Propulsion engine combustor design and analysis requires experimentally verified data on the chemical kinetics of fuel. Among the important data is the combustion extinction limit as measured by observed maximum flame strain rate. The extinction limit relates to the ability to maintain a flame in a combustor during operation. Extinction limit data can be obtained for a given fuel by means of a laminar flame experiment using an opposed jet burner (OJB). Laminar extinction limit data can be applied to the turbulent application of a combustor via laminar flamelet modeling. The OJB consists of two axi-symmetric tubes (one for fuel and one for oxidizer), which produce a flat, disk-like counter-flow diffusion flame. This paper presents results of experiments to measure extinction limits for n-heptane and the military specification fuel JP-7, obtained from an OJB. JP-7 is an Air Force-developed fuel that continues to be important in the area of hypersonics. Because of its distinct properties it is currently the hydrocarbon fuel of choice for use in Scramjet engines. This study provides much-desired data for JP-7, for which very little information previously existed. The interest in n-heptane is twofold. First, there has been a significant amount of previous extinction limit study and resulting data with this fuel. Second, n-heptane (C7H16) is a pure substance, and therefore does not vary in composition as does JP-7, which is a mixture of several different hydrocarbons. These two facts allow for a baseline to be established by comparing the new OJB results to those previously taken. Additionally, the data set for n-heptane, which previously existed for mixtures up to 26 mole percent in nitrogen, is completed up to 100% n-heptane. The extinction limit data for the two fuels are compared, and complete experimental results are included.

Convery, Janet L.↗
NASA NTRS1991

Metastable phase formation in undercooled liquid lead alloys

During non-equilibrium processes metastable phases are formed instead of stable phases due to the operation of various kinetic or structural constraints. By removing the most effective nucleation sites for the stable phase using emulsified droplet samples, stable phase formation can be prohibited in a broad range of undercooling and the phase space available in the metastable regime can be mapped out. With this method the thermodynamic properties of the undercooled liquid and the metastable phase boundaries corresponding to reversible metastable (solid + liquid) phase equilibria are examined from experimental data. The analysis reveals important implications for the nucleation kinetics and the choice of the kinetically most favored solidification path.

Fecht, Hans J.↗
DOE OSTI2024

A General Materials Data Science Framework for Quantitative 2D Analysis of Particle Growth from Image Sequences

Abstract Phase transformations are a challenging problem in materials science, which lead to changes in properties and may impact performance of material systems in various applications. We introduce a general framework for the analysis of particle growth kinetics by utilizing concepts from machine learning and graph theory. As a model system, we use image sequences of atomic force microscopy showing the crystallization of an amorphous fluoroelastomer film. To identify crystalline particles in an amorphous matrix and track the temporal evolution of the particle dispersion, we have developed quantitative methods of 2D analysis. 700 image sequences were analyzed using a neural network architecture, achieving 0.97 pixel-wise classification accuracy as a measure of the correctly classified pixels. The growth kinetics of isolated and impinged particles were tracked throughout time using these image sequences. The relationship between image sequences and spatiotemporal graph representations was explored to identify the proximity of crystallites from each other. The framework enables the analysis of all image sequences without the requirement of sampling for specific particles or timesteps for various materials systems.

36 MATERIALS SCIENCE↗
NASA NTRS2001

A stochastic differential equation model of diurnal cortisol patterns

Circadian modulation of episodic bursts is recognized as the normal physiological pattern of diurnal variation in plasma cortisol levels. The primary physiological factors underlying these diurnal patterns are the ultradian timing of secretory events, circadian modulation of the amplitude of secretory events, infusion of the hormone from the adrenal gland into the plasma, and clearance of the hormone from the plasma by the liver. Each measured plasma cortisol level has an error arising from the cortisol immunoassay. We demonstrate that all of these three physiological principles can be succinctly summarized in a single stochastic differential equation plus measurement error model and show that physiologically consistent ranges of the model parameters can be determined from published reports. We summarize the model parameters in terms of the multivariate Gaussian probability density and establish the plausibility of the model with a series of simulation studies. Our framework makes possible a sensitivity analysis in which all model parameters are allowed to vary simultaneously. The model offers an approach for simultaneously representing cortisol's ultradian, circadian, and kinetic properties. Our modeling paradigm provides a framework for simulation studies and data analysis that should be readily adaptable to the analysis of other endocrine hormone systems.

NASA Discipline Space Human Factors↗
DOE OSTI2021

Portable quantitative confocal Raman spectroscopy: Non-destructive approach of the carbonation chemistry and kinetics

Highlights: • Raman spectroscopy was used to monitor carbonation of portlandite • The approach was non-destructive, continuous, and performed within the material • Carbonation was identified coupling Raman spectroscopy and chemometrics • Kinetics was calculated for one portlandite thickness at different CO{sub 2}-percentages Carbonation is one major alteration process of cementitious materials. It can be monitored through several methods, all destructive. In this study, some preliminary investigations were conducted to monitor the carbonation process of pure portlandite with an in situ and non-destructive spectroscopic method. This complementary approach was motivated by a literature review indicating the benefits of Raman spectroscopy, but requiring innovative approaches for data acquisition and analysis. The material was selected to validate this spectroscopic monitoring, coupled with chemometrics tools to allowing an early detection of the carbonation reaction through a structure identified in the spectra data population. The carbonation occurred abruptly, and spectra analysis indicated the occurrence of phases synonymous of microstructural evolutions. Varying the atmospheric percentage of CO{sub 2} (0.04% - 4%) conducted to an appreciation of the kinetics of the carbonation front through the same thickness of portlandite.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data-Driven Analysis of Multipactor Dynamics via Dynamic Mode Decomposition

Multipactor effect is a performance-limiting kinetic plasma effect that can occur in high-power microwave and radio frequency (RF) devices. Multipactor effect is of special concern in vacuum or near-vacuum conditions such as those in particle accelerators and spaceborne devices. In this work, we present a data-driven reduced-order model (ROM) based on dynamic mode decomposition (DMD) for modeling of multipactor effects. We study multipactor effects and the resulting nonlinear harmonic generation by processing high-fidelity data generated from electromagnetic particle-in-cell (EMPIC) simulations using the DMD algorithm. We also investigate time-delay embedding extensions of DMD with improved generalizability and accuracy for modeling the electron plasma current density behavior. Here, the results show that DMD provides valuable insights into multipactor phenomena by extracting relevant modal spatiotemporal patterns and frequencies. In addition, DMD offers the potential to time extrapolate EMPIC simulations at a minimal cost, thereby reducing overall simulation time.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Performance and Durability of Heavy-Duty Fuel Cell Systems with an Advanced Ordered Intermetallic ORR Alloy Catalyst and Novel Support

Ordered PtCo intermetallic (OIM) catalyst (L1 0 -PtCo/C) is a promising candidate as the oxygen reduction reaction (ORR) catalyst in hybrid fuel cell systems (FCS) for class-8 heavy duty (HD) trucks. Compared to a baseline annealed Pt on high surface area carbon (a-Pt/HSC) catalyst, its mass activity (MA) is 71% higher initially and 144% higher after 90,000 potential cycles in an accelerated stress test (AST). Analysis of the AST data indicates that the ORR kinetic constants do not change with aging and the degradation in the OIM catalyst activity is linearly proportional to the loss in the electrochemically active surface area (ECSA). Several operational strategies are investigated to mitigate catalyst degradation and achieve 25,000-h electrode lifetime and 2.5 kW g −1 Pt utilization on a HD truck duty cycle including load sharing with the hybrid battery, regulating the radiator fan power to maintain the coolant temperature close to 60 °C, clipping the maximum cell voltage below 850 mV, limiting the ECSA loss to 55%, and oversizing the active area of the membrane electrode assemblies by 20%. Drive cycle simulations indicate that the lifetime average voltage degradation rate is about 1.8 μV h −1 and the integrated stack and FCS drive cycle efficiencies decrease by 3.5 to 3.9%.

25 ENERGY STORAGE↗
NASA NTRS1986

Global energetics analysis using 3-dimensional normal mode decomposition

The Goddard Laboratory for Atmospheric Sciences (GLAS) analysis of the FGGE observations for a 25-day period in January 1979 is examined using the normal mode energetics scheme. The results from the energetics analysis are compared with the data of Tanaka (1985). Kinetic energy spectra of the barotropic mode in the meridional-mode and frequency domains, and the total diabatic process are studied. It is observed that there are significant differences between GLAS and GFDL analyses results in the barotropic energy of gravity modes and the normal energetics scheme is applicable as a diagnostic tool.

Tanaka, Hiroshi↗
NASA NTRS1992

Pressure dependence of the oxygen reduction reaction at the platinum microelectrode/nafion interface - Electrode kinetics and mass transport

The investigation of oxygen reduction kinetics at the platinum/Nafion interface is of great importance in the advancement of proton-exchange-membrane (PEM) fuel-cell technology. This study focuses on the dependence of the oxygen reduction kinetics on oxygen pressure. Conventional Tafel analysis of the data shows that the reaction order with respect to oxygen is unity at both high and low current densities. Chronoamperometric measurements of the transport parameters for oxygen in Nafion show that oxygen dissolution follows Henry's isotherm. The diffusion coefficient of oxygen is invariant with pressure; however, the diffusion coefficient for oxygen is lower when air is used as the equilibrating gas as compared to when oxygen is used for equilibration. These results are of value in understanding the influence of O2 partial pressure on the performance of PEM fuel cells and also in elucidating the mechanism of oxygen reduction at the platinum/Nafion interface.

Parthasarathy, Arvind↗
DOE OSTI2025

A Full-Cell Model for Direct Toluene Electro-Hydrogenation Electrolysis

Liquid organic hydrogen carriers (LOHCs) are organic molecules that undergo a hydrogenation/dehydrogenation cycle to enable storage and transportation of hydrogen fuel under ambient conditions. One promising LOHC candidate is toluene, which can be converted to methylcyclohexane (MCH) electrochemically, enabling a decarbonized process when green electricity is used. In this study, we developed a full-cell model for the direct electro-hydrogenation of toluene to MCH, utilizing a zero-gap membrane electrode assembly architecture. The model incorporates electrochemical kinetics, ionic transport, water transport across the membrane, and mass transport effects. Electrochemical kinetics are characterized using Tafel analysis on Pt/Ru catalyst. The model is validated against experimental data, including polarization curves, Faradaic efficiencies, and water crossover. A voltage breakdown analysis shows that the performance is dominated by kinetic losses, and the model is used to carry out a comparison of different toluene electro-hydrogenation reaction catalysts. Finally, a sensitivity analysis is conducted on key design parameters illustrating which can be modified to maximize electrolyzer performance. The cathode specific surface area and cathode porous transport layer thickness (PTL) have the largest impact on the current density, while the PTL thickness and Pt loading in the PTL have the largest impact on Faradaic efficiency.

Ehlinger, Victoria M. [Lawrence Livermore National↗
DOE OSTI2024

Accuracy of kinetic equilibrium reconstruction of NSTX and NSTX-U plasmas and its impact on the transport and stability analysis

An accurate magnetohydrodynamic (MHD) equilibrium reconstruction is an essential starting point for stability and transport plasma analysis. Herein this work describes an approach for obtaining kinetic equilibrium reconstructions using the OMFIT framework, which has been applied for the first time to spherical tokamak data from NSTX and NSTX-U. The EFIT equilibrium solver is integrated with experimental data analysis procedures and subsequent TRANSP transport simulations to enhance the accuracy of the reconstruction, in particular, at the edge region, by adding constraints on the total pressure and current density profiles, based on the transport code solution. The accuracy of the equilibrium reconstruction depends on the uncertainty and number of constraints, as well as the choice of basis functions to represent the pressure and current density profiles. Improved fidelity of the equilibrium reconstruction is demonstrated by reducing the variability of the magnetic axis and boundary locations from several centimeters, for reconstructions based on magnetic and experimental pressure constraints, to only several millimeters, for kinetic reconstructions based on transport code constraints, when different representations of basis functions were tested. The variability of the safety factor on axis was reduced ten times in the same sensitivity study. The accuracy of the equilibrium reconstruction and subsequent mapping of the experimental kinetic profile data have a significant impact on the trapped gyro Landau fluid and linear CGYRO turbulence simulations, which predict different spectra of unstable modes and turbulent fluxes for cases with different numbers of constraints in the equilibrium reconstruction. Conversely, the stability analysis performed using the GATO code shows plasmas that are stable to n = 1 MHD modes in both equilibria using magnetic and experimental pressure constraints as well as the transport code constrained equilibrium. However, a scan of parameters away from these conditions shows considerable deviation in the threshold of unstable modes between these reconstructions. Therefore, for reliable plasma analysis and use in turbulence and stability calculations, a high-fidelity equilibrium reconstruction with accurate kinetic constraints based on transport code solutions is necessary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗
DOE OSTI2021

Embedded Error Bayesian Calibration of Thermal Decomposition of Organic Materials

Organic materials are an attractive choice for structural components due to their light weight and versatility. However, because they decompose at low temperatures relative to tradiational materials they pose a safety risk due to fire and loss of structural integrity. To quantify this risk, analysts use chemical kinetics models to describe the material pyrolysis and oxidation using thermogravimetric analysis. This process requires the calibration of many model parameters to closely match experimental data. Previous efforts in this field have largely been limited to finding a single best-fit set of parameters even though the experimental data may be very noisy. Furthermore the chemical kinetics models are often simplified representations of the true de- composition process. The simplification induces model-form errors that the fitting process cannot capture. In this work we propose a methodology for calibrating decomposition models to thermogravimetric analysis data that accounts for uncertainty in the model-form and experimental data simultaneously. The methodology is applied to the decomposition of a carbon fiber epoxy composite with a three-stage reaction network and Arrhenius kinetics. The results show a good overlap between the model predictions and thermogravimetric analysis data. Uncertainty bounds capture devia- tions of the model from the data. The calibrated parameter distributions are also presented. In conclusion, the distributions may be used in forward propagation of uncertainty in models that leverage this material.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Observation of ionization trends in a laboratory photoionized plasma experiment at Z

We report experimental and modeling results for the charge state distribution of laboratory photoionized neon plasmas in the first systematic study over nearly an order of magnitude range of ionization parameter ξ ∝ F/N e . The range of ξ is achieved by flexibility in the experimental platform to adjust either the x-ray drive flux F at the sample or the electron number density N e or both. Experimental measurements of photoionized plasma conditions over such a range of parameters enable a stringent test of atomic kinetics models used within codes that are applied to photoionized plasmas in the laboratory and astrophysics. From experimental transmission data, ion areal densities are extracted by spectroscopic analysis that is independent of atomic kinetics modeling. The measurements reveal the net result of the competition between photon-driven ionization and electron-driven recombination atomic processes as a function of ξ as it affects the charge state distribution. Results from radiation-hydrodynamics modeling calculations with detailed inline atomic kinetics modeling are compared with the experimental results. There is good agreement in the mean charge and overall qualitative similarities in the trends observed with ξ but significant quantitative differences in the fractional populations of individual ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Boundary layer development as a function of chamber pressure in the NASA Lewis 1030:1 area ratio rocket nozzle

Through the use of theoretical predictions of fluid properties and experimental heat transfer and thrust measurements, the zones of laminar, transitional, and turbulent boundary layer flow were defined for the NASA Lewis 1030:1 area ratio rocket nozzle. Tests were performed on the nozzle at chamber pressures from 350 to 100 psia. For these conditions, the throat diameter Reynolds numbers varied from 300,000 to 1 million. The propellants used were gaseous hydrogen and gaseous oxygen. Thrust measurements and nozzle outer wall temperature measurements were taken during the 3-sec test runs. Comparison of experimental heat transfer and thrust data with the corresponding predictions from the Two-Dimensional Kinetics (TDK) nozzle analysis program indicated laminar flow in the nozzle at a throat diameter Reynolds number of 320,000 or chamber pressure of 360 psia. Comparison of experimental and predicted heat transfer data indicated transitional flow up to and including a chamber pressure of 1000 psia. Predicted values of the axisymmetric acceleration parameter within the convergent and divergent nozzle were consistent with the above results. Based upon an extrapolation of the heat transfer data and predicted distributions of the axisymmetric acceleration parameter, transitional flow was predicted up to a throat diameter Reynolds number of 220,000 or 2600-psia chamber pressure. Above 2600-psia chamber pressure, fully developed turbulent flow was predicted.

Smith, Tamara A.↗
NASA NTRS1988

Boundary layer development as a function of chamber pressure in the NASA Lewis 1030:1 area ratio rocket nozzle

Through the use of theoretical predictions of fluid properties and experimental heat transfer and thrust measurements, the zones of laminar, transitional, and turbulent boundary layer flow were defined for the NASA Lewis 1039:1 area ratio rocket nozzle. Tests were performed on the nozzle at chamber pressures from 350 to 100 psia. For these conditions, the throat diameter Reynolds numbers varied from 300,000 to 1 million. The propellants used were gaseous hydrogen and gaseous oxygen. Thrust measurements and nozzle outer wall temperature measurements were taken during the 3-sec test runs. Comparison of experimental heat transfer and thrust data with the corresponding predictions from the Two-Dimensional Kinetics (TDK) nozzle analysis program indicated laminar flow in the nozzle at a throat diameter Reynolds number of 320,000 or chamber pressure of 360 psia. Comparison of experimental and predicted heat transfer data indicated transitional flow up to and including a chamber pressure of 1000 psia. Predicted values of the axisymmetric acceleration parameter within the convergent and divergent nozzle were consistent with the above results. Based upon an extrapolation of the heat transfer data and predicted distributions of the axisymmetric acceleration parameter, transitional flow was predicted up to a throat diameter Reynolds number of 220,000 or 2600-psia chamber pressure. Above 2600-psia chamber pressure, fully developed turbulent flow was predicted.

Smith, Tamara A.↗
NASA NTRS1992

Kinetic plasma processes occurring in the outer plasmasphere

One area of data analysis work that was begun under this contract is the fitting of the perpendicular velocity distributions of equatorially trapped ions with a Kappa function. This type of characterization of the trapped ions will be very useful for comparison with velocity distributions produced by the model. A second area of data analysis is to study data from consecutive passes when DE 1's apogee was near the magnetic equator and the spacecraft was often skimming along nearly the same L shell. In 1982 three such periods occurred in May, June, and July. For these consecutive events we have Kp histories, density measurements from a number of sources (Whistler data, DE SFR, ISEE SFR) and consecutive samples of ion pitch angle distributions along field lines. It is clear from this data how the pitch angle distributions evolve during a flux tube refilling event. Our modeling of the flow of plasma along closed field lines is following two basic tracks. The first is a study of the basic refilling process without the effect of wave-particle heating near the equator or the effect of large or abrupt field-aligned electric potential drops. This model includes the effects of Coulomb self-collisions and collisions with the O+ ions in the topside ionosphere. The second track is a study of the effects of wave produced pitch-angle scattering and perpendicular heating occurring near the magnetic equator, in connection with the development of large potential drops that result from electron heating and the development of density gradients.

Wilson, Gordon R.↗