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DOE OSTI2025

Elucidating the Role of Electric Fields in Fe Oxidation via an Environmental Atom Probe

We quantify the effects of intensely applied electric fields on the Fe oxidation mechanism. The specimen are pristine Fe single crystals exposing a variety of surface structures identified by field ion microscopy. These crystals are simultaneously exposed to low pressures of pure oxygen gas, on the order of 10 −7 mbar, while applying intense electric fields on their surface of several tens of volts per nanometer. The local composition of the different surface structures is probed directly and in real time using an Environmental Atom Probe and successfully compared with first principles-based models. We found that rough Fe{244} and Fe{112} facets are more reactive toward oxygen than compact Fe{024} and Fe{011} facets. Results demonstrate that the influence of an electric field on the oxidation kinetics depends on the timescales that are involved as the system evolves toward equilibrium. The initial oxidation kinetics show that strong increases in electric fields facilitate the formation of an oxide. However, as one approaches equilibrium, high field values mitigate this formation. Ultimately, this study elucidates how high externally applied electric fields can be used to dynamically exploit reaction dynamics at the nanoscale towards desired products in a catalytic reaction at mild reaction conditions.

09 BIOMASS FUELS↗

NASA NTRS2024

Core/Combustor-Noise Measurements and Source Separation for the DGEN Aeropropulsion Research Turbofan

Acoustic data obtained using a small turbofan engine are further analyzed with the aim to ultimately enable improved prediction methods and mitigation techniques for turbofan core/combustor noise. The relative impact of this propulsion-noise source for civilian-transport aircraft on airport community noise is expected to significantly increase in the future. Simultaneous high-data-rate acoustic measurements acquired using a circumferential infinite-tube-probe array at the core-nozzle exit in conjunction with a far-field microphone array are processed. The test matrix contains engine operational points from idle to engine-maximum setting, with measurements repeated for different circumferential array configurations, as well as for redundancy. The combustor-noise contribution to the far-field noise signature is obtained using an advanced source-separation method that correlates far-field microphone measurements with a modal decomposition of the unsteady pressure field at the core-nozzle exit. The advantages of the present approach compared to the classical two-signal source-separation method are discussed.

Aeroacoustics↗

DOE OSTI2023

Image Characterization of Reactions Generated by an Aeroengine Micromixing Injector for Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blend

An aeroengine micromixing injector, originally designed for lean direct injection of jet fuel, was adapted to work with hydrogen, natural gas, and any blend in between. The ultimate goal of the design was to achieve low NOx emissions when operated on pure hydrogen; to better characterize its performance, flame imaging diagnostics was implemented. Three types of cameras mounted parallel to the injector base and pointing towards the quartz combustor cylinder with the same angle were operated simultaneously: Nikon D90, Dynacolor FB-N9-U, and Phantom v7.1, to capture the visible spectrum, OH* chemiluminescence, and dynamic behavior of the flames, respectively. The current work also includes the overlapping of visible spectrum and OH* chemiluminescence, as an effort to qualitatively define the heat release over the flame area, i.e., UV over visible domain. Additionally, a z-type schlieren configuration was employed to reinforce the presence of some small-scale details occurring near the injector outlet ports. Using the airbox pressure drop, preheat temperature, fuel composition and flame temperature as the factors of study, a Box Behnken model was designed yielding into a 16-points matrix for the operability region, at atmospheric pressure. The main responses were extracted from the OH* images, because of its correlation with the flame heat release, these being the flame area and its average brightness, the heat release area and its center of gravity and leading edge. To assess the importance of the main factors and their interactions, an analysis of variance (ANOVA) was performed for each response, considering as significant each contributor with a p-value below 0.05. For these five responses it was found that all four main factors need to be included into the model (most of them because its own significance, others to ensure the model hierarchy), as well as some common interactions as the preheat and flame temperatures or pressure drop and fuel composition, and quadratic terms from fuel composition or flame temperature. Three of the five models presented R2 and coefficient of variance (C.V.) indicators around 0.97 and 5%, respectively; the leading edge ANOVA yielded into R2=0.78 and C.V.=18.88%; and the heat release area showed R2=0.91 and C.V.=24.13%. Lastly, the confinement ratio effect of the combustor over the flame structure was quantified, for three different conditions: the original 80 mm inner diameter and 200 mm length cylinder was compared against a shorter 150 mm tube (same inner diameter) and a narrower 47 mm inner diameter one (same 200 mm length). The length had a smaller effect than the inner diameter, even though both factors were not strong enough to make a significant deviation on most of the flame parameters: the difference was within the repeatability margin of error for the brightness, flame area, and center of gravity and leading edge of the heat release area.

Imaging diagnostics, flame characterization, OH* c↗

DOE OSTI2025

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

Implementation of High Pressure Die Casting (HPDC) Aluminum (Al) body structures for high volume electrified vehicles (EV) to improve electric efficiency remains a key strategy within many original equipment manufacturer (OEM)s. In addition to high strength for safety requirements, superior Self-Piercing Riveting (SPR) performance is demanded for HPDC Al alloys to be compatible with high volume SPR joining. In this work, it is proposed to extend and validate an existing Contractor finite element multiscale macro-micro modeling approach to quantify the influence of the microstructure of HPDC alloys on the fracture strain/displacement under 3-point bend and clinch testing. The success of this work will allow to replace solution treatment stage with low energy consumption heat treatment (HT) processes, or to design new non heat treatable (NHT) HPDC Al alloys to eliminate HT requirements. Ultimately, this project will facilitate the application of HPDC Al alloys for super-large vehicle structures to significantly reduce vehicle weight, and thus improving energy efficiency. The purpose of this project is to extend and validate an existing finite element code, which is based on the Contractor developed macro-micro multi-scale modeling approach, to numerically simulate the three-point bending and clinch test and study the influences of material microstructural characteristics and phase properties on the rivetability. The macro-micro modeling approach begins with a sample scale model and identify the location, which is mostly prone to failure, the deformation history of the boundaries of that location calculated will be used to drive a microstructure-based sub-models where the material microstructure and microscale properties are considered. Using this approach, the wrap-bending failure for two Al alloys are correctly predicted for the first time. This will start with phase I effort of building a framework of macro-micro three point bending test and clinch test of Al10SiMgMn HPDC alloy in the as-cast and T7 heat treated conditions. Those results will then be validated with experimental test results. The phase II effort will involve the utilization of the knowledge learned in phase I to establish the quantitative correlation between the microstructure characteristics and the riveting performance, which will be further used to guide the optimization of HPDC Al alloy microstructure using heat treatment process to achieve sufficient rivetability to join large thin-wall HPDC alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Operando XPS in reactive plasmas: The importance of the wall reactions

In this article, advancements in differential pumping and electron optics over the past few decades have enabled x-ray photoelectron spectroscopy (XPS) measurements at (near-)ambient pressures, bridging the pressure gap for characterizing realistic sample chemistries. Recently, we have demonstrated the capabilities of an ambient pressure XPS setup for in situ plasma environment measurements, allowing plasma-surface interactions to be studied in operando rather than using the traditional before-and-after analysis approach. This new “plasma-XPS” technique facilitates the identification of reaction intermediates critical for understanding plasma-assisted surface processes relevant to semiconductor nanomanufacturing, such as physical vapor deposition, etching, atomic layer deposition, and many other plasma applications. In this paper, we apply the plasma-XPS approach to monitor real-time surface chemical changes on a model Ag(111) single crystal exposed to oxidizing and reducing plasmas. We correlate surface-sensitive data with concurrent gas-phase XPS measurements and residual gas mass-spectrum analysis of species generated during plasma exposure, highlighting the significant role of plasma-induced chamber wall reactions. Ultimately, we demonstrate that plasma-XPS provides comprehensive insights into both surface and gas-phase chemistry, establishing it as a versatile and dynamic characterization tool with broad applications in microelectronics research. Finally, we outline potential enhancements and future metrology directions to advance plasma-XPS investigations further.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Pollution reduction technology program for small jet aircraft engines, phase 1

A series of combustor pressure rig screening tests was conducted on three combustor concepts applied to the TFE731-2 turbofan engine combustion system for the purpose of evaluating their relative emissions reduction potential consistent with prescribed performance, durability, and envelope contraints. The three concepts and their modifications represented increasing potential for reducing emission levels with the penalty of increased hardware complexity and operational risk. Concept 1 entailed advanced modifications to the present production TFE731-2 combustion system. Concept 2 was based on the incorporation of an axial air-assisted airblast fuel injection system. Concept 3 was a staged premix/prevaporizing combustion system. Significant emissions reductions were achieved in all three concepts, consistent with acceptable combustion system performance. Concepts 2 and 3 were identified as having the greatest achievable emissions reduction potential, and were selected to undergo refinement to prepare for ultimate incorporation within an engine.

Bruce, T. W.↗

NASA NTRS1984

Grain-refining heat treatments to improve cryogenic toughness of high-strength steels

The development of two high Reynolds number wind tunnels at NASA Langley Research Center which operate at cryogenic temperatures with high dynamic pressures has imposed severe requirements on materials for model construction. Existing commercial high strength steels lack sufficient toughness to permit their safe use at temperatures approaching that of liquid nitrogen (-320 F). Therefore, a program to improve the cryogenic toughness of commercial high strength steels was conducted. Significant improvement in the cryogenic toughness of commercial high strength martensitic and maraging steels was demonstrated through the use of grain refining heat treatments. Charpy impact strength at -320 F was increased by 50 to 180 percent for the various alloys without significant loss in tensile strength. The grain sizes of the 9 percent Ni-Co alloys and 200 grade maraging steels were reduced to 1/10 of the original size or smaller, with the added benefit of improved machinability. This grain refining technique should permit these alloys with ultimate strengths of 220 to 270 ksi to receive consideration for cryogenic service.

Rush, H. F.↗

DOE OSTI2025

BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions

Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.

25 - ENERGY STORAGE↗

DOE OSTI2025

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗

NASA NTRS1990

A Numerical Method for Direct Simulation of Turbulence in Complex Geometries

The ultimate goal of this work is to study the flow inside a channel with riblets on one of the two walls. The method has been tested for two dimensional flows in the presence of bodies with a geometrical singularity and for three dimensional flows inside domains described by Cartesian coordinates. The results have been compared with previous numerical simulations and with experimental results. The cases considered are: (1) the growth of Orr-Sommerfield waves in plane Poiseulle flow; (2) the flow over a backward facing step; (3) the flow past a wedge; and (4) the flow inside a narrow channel. Finally, the case of a channel with two large riblets on a wall has been simulated. In this case a limited number of grid points is sufficient, and in spite of the slow convergence for the pressure solver, one is able to obtain solutions with a reasonable amount of computer time. At present solutions with very fine grids in all three directions can not be obtained, due to lack of a fast pressure solver for general curvilinear coordinates.

P Orlandi↗

DOE OSTI2022

Benchmarking a 9Cr-2WVTa Reduced Activation Ferritic Martensitic Steel Fabricated via Additive Manufacturing

Reduced activation ferritic (RAF) martensitic steels are promising candidates for the first wall of fusion reactors. However, current manufacturing capabilities call for these components to be made by welding wrought plates. This limits design freedom and necessitates the use of post-weld heat treatments (PWHT) in accordance with the boiler and pressure vessel code. Additive manufacturing (AM) can offer a unique solution to solve this challenge by leveraging the layer-wise deposition strategy to come up with temper bead deposition techniques to eliminate post-processing heat treatments (PPHT). However, it is necessary to benchmark the properties of RAF steels fabricated by AM with their wrought counterparts to identify the process-structure-property correlation, which is the goal of this study. The study demonstrates that while tensile properties at room temperature and high temperatures are satisfactory, the as fabricated and samples after PPHT have significant heterogeneity in tensile elongation. This has been attributed to the presence of discontinuities in the build. The as-fabricated samples have an average tensile strength of 1190 + 12 MPa and an average elongation of 15 + 5% at room temperature and 658 ± 20 MPa ultimate tensile strength (UTS) and 14 ± 7% at 600 °C. After the post-weld heat treatment, mechanical properties decrease to around 600–650 MPa and an elongation between 20–25% at room temperature to 300 MPa UTS and 25–28% elongation at 600 °C. The characterization of microstructures at various length scales demonstrates that the as-fabricated structure has a significant fraction of delta ferrite in a lath martensitic matrix. No precipitates could be identified in the as-fabricated structure. PPHT led to a decrease in the area fraction of delta ferrite and precipitation of M 23 C 6 and MX. Detailed characterization clearly demonstrates that the lack of precipitates in the as-fabricated structure could be due to the slow tempering response of the alloy. Finally, the needs to develop new alloys to achieve the objectives stated above are articulated.

36 MATERIALS SCIENCE↗

NASA NTRS1994

A Review of Evidence for High Life Coefficients on Propeller and Rotor Blades Under Static Thrust Conditions with Some New Experimental Results

Interest has increased recently in the thrust-producing capability of rotors at very high collective pitch angles. An early reference noted this behaviour in rotors and offered alternative models for section lift characteristics to explain it. The same phenomenon was coincidentally noted and used in a propeller code, resulting in very good correlation with static thrust data. The proposed paper will present experimental data demonstrating the pronounced persistence of thrust for propellers at increasing collective pitch angles. Comparisons with blade element/momentum theory will be made. These results are expected to point to the need to define (ultimately to explain) aerodynamic lift and drag behaviour in a rotating environment. Experimental measurements made by the U.S. Army Aeroflightdynamics Directorate at the Ames Research Center have shown that locally measured normal force coefficients along the span of a highly twisted rotor blade continue to increase at high values of collective pitch. In some cases these coefficients exceed expected values for the same type of airfoil tested under two dimensional conditions. To date no one to the authors' knowledge has defined the variation of C(n) with pitch for very high angles (to 45 deg) in a rotating environment and for a blade of reasonably high aspect ratio; however, total propeller thrust measurements support the idea that stalling does not occur in the same way as on a wing. This paper will present experimental data in the form of surface pressure distributions as well as flow visualization (microtufts) to explore the aerodynamic behavior of the rotating airfoil at high values of blade incidence. This paper also reviews experimental evidence and infers some high lift coefficient behavior from it. Comparisons between predicted thrust, utilizing modified airfoil characteristics and a blade element model, and measured thrust for both rotors and propellers that cover the extremes of collective pitch are shown and discussed.

Talbot, Peter D.↗

NASA NTRS2016

Analysis of 2015 Winter In-Flight Icing Case Studies with Ground-Based Remote Sensing Systems Compared to In-Situ SLW Sondes

National Aeronautics and Space Administration (NASA) and the National Center for Atmospheric Research (NCAR) have developed an icing remote sensing technology that has demonstrated skill at detecting and classifying icing hazards in a vertical column above an instrumented ground station. This technology has recently been extended to provide volumetric coverage surrounding an airport. Building on the existing vertical pointing system, the new method for providing volumetric coverage utilizes a vertical pointing cloud radar, a multi-frequency microwave radiometer with azimuth and elevation pointing, and a NEXRAD radar. The new terminal area icing remote sensing system processes the data streams from these instruments to derive temperature, liquid water content, and cloud droplet size for each examined point in space. These data are then combined to ultimately provide icing hazard classification along defined approach paths into an airport. To date, statistical comparisons of the vertical profiling technology have been made to Pilot Reports and Icing Forecast Products. With the extension into relatively large area coverage and the output of microphysical properties in addition to icing severity, the use of these comparators is not appropriate and a more rigorous assessment is required. NASA conducted a field campaign during the early months of 2015 to develop a database to enable the assessment of the new terminal area icing remote sensing system and further refinement of terminal area icing weather information technologies in general. In addition to the ground-based remote sensors listed earlier, in-situ icing environment measurements by weather balloons were performed to produce a comprehensive comparison database. Balloon data gathered consisted of temperature, humidity, pressure, super-cooled liquid water content, and 3-D position with time. Comparison data plots of weather balloon and remote measurements, weather balloon flight paths, bulk comparisons of integrated liquid water content and icing cloud extent agreement, and terminal-area hazard displays are presented. Discussions of agreement quality and paths for future development are also included.

aviation meteorology↗

DOE OSTI2024

Oxidized Sulfur Species in Slab Fluids as a Source of Enriched Sulfur Isotope Signatures in Arcs

Recycling of oxidized sulfur from subducting slabs to the mantle wedge provides simultaneous explanations for the elevated oxygen fugacity (fO 2 ) in subduction zones, their high hydrothermal and magmatic sulfur outputs, and the enriched sulfur isotopic signatures (i.e., δ 34 S > 0‰) of these outputs. However, a quantitative understanding of the abundance and speciation of sulfur in slab fluids consistent with high pressure experiments is lacking. Here we analyze published experimental data for anhydrite solubility in H 2 O-NaCl solutions to calibrate a high-pressure aqueous speciation model of sulfur within the framework of the deep earth water model. We characterize aqueous complexes, required to account for the high experimental anhydrite solubilities. We then use this framework to predict the speciation and solubility of sulfur in chemically complex fluids in equilibrium with model subducting mafic and ultramafic lithologies, from 2 to 3 GPa and 400 to 800°C at log fO 2 from FMQ-2 to FMQ+4. We show that sulfate complexes of calcium and sodium markedly enhance the stability of sulfate in moderately oxidized fluids in equilibrium with pyrite at fO 2 conditions of FMQ+1 to +2, causing large sulfur isotope fractionations up to 10‰ in the fluid relative to the slab. Such fluids could impart oxidized, sulfur-rich and high δ 34 S signatures to the mantle wedge that are ultimately transferred to arc magmas, without the need to invoke 34 S-rich subducted lithologies.

58 GEOSCIENCES↗

NASA NTRS1998

The Coronae of Moderate-Mass Giants in the Hertzsprung Gap and the Clump

We have used the Roentgensatellit (ROSAT), the Extreme Ultraviolet Explorer (EUVE), and the Hubble Space Telescope (HST) to measure X-ray and ultraviolet emissions of moderate-mass (APPROX. 2-3 solar mass) giants in the Hertzsprung gap (spectral types early F to mid-G) and the post-helium flash "clump" (approx. G8-K0). Our motivation was to document the evolution of hot coronae (T greater than 10(exp 6)K) along the post-main-sequence trajectories traveled by such stars in order to gain insight concerning the "X-ray deficiency" of the F-GO giants and the strong braking of stellar rotation at the red edge of the Hertzsprung gap. With few exceptions, Hertzsprung gap and clump giants observed by ROSAT PSPC show hot (T approx. 10(exp 7)K) coronal energy distributions, regardless of any X-ray deficiency, EUVE spectra of gap star 31 Com (G0 111) indicate a broad coronal emission measure hump at approx. 10(exp 7.2)K, while the active clump giant beta Ceti (K0 III) displays a sharp peak at approx. 10(exp 6.8)K, as seen previously in the mixed clump/gap binary Capella (alpha Aur: G8 III + G0 III). The gap giants upsilon Peg (F8 III) and 24 UMa (G4 III) have EUV emissions of intermediate temperature (approx. 10(exp 7.0)K). The stars 31 Com, psi(sup 3) Psc (G0 III), and beta Cet exhibit redshifted transition zone (TZ: approx. 10(exp 5)K) lines in HST GHRS spectra, as reported earlier in Procyon (alpha CMi: F5 IV-V) and Capella G0. Such redshifts on the Sun are thought to signify flows in magnetic loops. beta Cas (F2 III)-a rare soft coronal source among the gap stars-displays blueshifts of C iv and 0 iv], although emissions at cooler and hotter temperatures are near the photospheric velocity. The remarkably broad line profiles of the fastest rotating gap giants suggest that the 10(exp 5) K "subcoronal " emission zones extend to h approx. R(sub *) above the photosphere, about 50 scale heights. In contrast to the TZ line redshifts, the upper chromospheric emissions (e.g., Mg II and Si III) of 31 Com and upsilon(sup 3) Psc have blueshifted cores. Blue-asymmetric peaks in the solar Mg a lines are thought to indicate dynamical heating in the chromosphere. Observations of the H(sub I) Ly(alpha) feature of 31 Com taken 9 months apart reveal striking profile changes, reminiscent of those noted previously in the Ly(alpha) blue peak of the Capella G0 star. We used the far-ultraviolet diagnostics, in combination with ROSAT X-ray photometry and EUVE high-excitation line strengths, to constrain physical models of the stellar outer atmospheres. Quasi-static magnetic loops can simulate the empirical coronal emission measures of the giant stars, but the inferred pressures for sensible loop lengths conflict with direct measurements of subcoronal densities. Furthermore, the high rate of emission at approx. 10(exp 5) K cannot be explained by thermal conduction down the legs of hot quasi-static loops. On the other hand, the possible existence of elongated (l - R(sub *) emission structures on the gap giants leads to a speculative scenario to explain the X-ray deficiency. It is based on the increased importance of the dynamical filling phase ("explosive evaporation") of the loop life cycle; conductive cooling, yielding TZ emissions at the footpoints, when the heating is interrupted; and the possibility for transitions between " hot " and " cool " energy balance solutions owing to dynamical suspension and centrifugal trapping of the cooling gas. The long loops might represent a vestigial global " magnetosphere " inherited from the main-sequence phase, which ultimately is disrupted near approx. G0 by the deepening convective envelope and growth of a more solar-like dynamo. Coronal emissions might be boosted temporarily as the X-ray deficiency is removed but soon would be quenched by wind braking previously inhibited by the magnetospheric "dead zone."

Ayres, Thomas R.↗

DOE OSTI2023

Machine Learning Prediction of Fracture Toughness in Hydrogen-charged Stainless Steels

Austenitic stainless steels are structural materials utilized in tritium gas pressure boundaries since they are resistant to hydrogen isotope embrittlement [1-3]. However, exposure to tritium over long periods of time leads to tritium uptake which decays to result in helium ingrowth. This helium ingrowth results in further embrittlement effects which are synergistic with that from the hydrogen isotope [4]. Therefore, it is important for tritium facilities to understand the material limitations of stainless steel in this environment. The Savannah River National Laboratory (SRNL) has available a large experimental data set of austenitic stainless steels which have been exposed to tritium environments for various lengths of time. With the availability of this data set, machine learning (ML) algorithms provide an opportunity to model the embrittlement of stainless steel due to the algorithm’s ability to identify patterns in data sets that are difficult and costly to identify in other manners [5]. Ultimately, the amount and quality of the available data is one defining force in the ability of a ML model to accurately predict the desired outputs. The models developed herein will illustrate the ability for the various algorithms to predict the change in fracture toughness in stainless steels due to hydrogen-isotope embrittlement.

Hoar, Eric T.↗

DOE OSTI2025

Enabling Low-Temperature (LTP) Ignition Technologies for Multi-Mode Engines through the Development of a Validated High-Fidelity LTP Model for Predicative Simulations Tools

The goal of multi-mode engine architectures is to extend current lean-burn dilution limits with renewable fuels, which requires spark plugs to deposit high energies (hundreds of mJ) in order to initiate ignition and complete combustion. At elevated energy deposition rates, spark plugs experience increased electrode erosion and thermal losses, which ultimately shortens the spark-plug lifetime and lowers ignition efficiency. As such, in order to safeguard the efficiency gains of multi-mode concepts, new and improved ignition technologies are required. Recently, non-equilibrium low-temperature plasmas (LTP) have been shown to promote energy-efficient ignition via quenching and transport of electronically excited atoms and molecules, selective radical production and fast heating of hydrocarbon/air mixtures [1-2]. Thus, LTP is seen as a technology that can potentially improve the energy extraction efficiency of fuels, while enabling kinetically controlled combustion modes towards fuel leaner conditions to realize current DOE VTO goals of improving the sustainability of future mobility [3]. Although many previous studies have demonstrated the efficacy of plasma-assisted ignition to enhance combustion, the detailed enhancement mechanisms remain largely unknown, especially for oxygenated fuels and at elevated pressures that are most relevant to practical engine conditions. These barriers hinder the development of accurate and comprehensive numerical models that seek to describe LTP-based ignition in existing engine design software tools and methods. Current state-of-the-art simulation capabilities for LTP ignition systems are in need of improvements since they deliver qualitative results only due to important limitations of existing approaches. Firstly, validated kinetic models with elementary steps for plasma discharges in oxygenated fuel/air mixtures of relevance to the transportation sector are required. Such kinetic models do not exist at present and will be developed and validated within this project. Secondly, plasma discharges and reactive mixture ignition are multi-scale, unsteady processes requiring high-performance numerical methods and software that execute efficiently on DOE supercomputers. Such software does not exist at present and will be developed and applied to practical LTP ignition scenarios as part of this project. Thirdly, experimental databases that are tailored to serve as benchmark in support of the development of predictive computational models of LTP ignition do not exist and will be part of this project.

33 ADVANCED PROPULSION SYSTEMS↗