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High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster

Mechanistic origin of solvent-dependent thermal stability in sodiated Sn anodes for sodium-ion batteries

Understanding the thermal stability of high-energy density alloy anodes is critical for the safe deployment of sodium-ion batteries (SIBs). Here, accelerating rate calorimetry (ARC), post-mortem characterizations, and density functional theory (DFT) calculations are combined to understand the thermal reactivity of fully sodiated Sn, Sn-hard carbon (HC) blends, and HC anodes in carbonate- and ether-based electrolytes. ARC measurements show that propylene carbonate (PC) causes earlier self-heating rate (SHR) onset and higher reactivity than tetraethylene glycol dimethyl ether (TEGDME), indicating inferior thermal stability. Sodiated Sn exhibits better thermal stability than sodiated HC, while Sn-HC blends show intermediate behavior that improves with increasing Sn content. Post-ARC analyses reveal desodiation of Na15Sn4 to metallic Sn with particle coalescence, whereas Sn-HC blends and HC retain finer morphologies. PC promotes Sn oxidation to SnO, while TEGDME suppresses oxide formation; NaPF6-containing electrolytes additionally form NaF. DFT calculations show that PC adsorption lowers Na extraction energy and enhances interfacial electronic interactions, facilitating Na release and reductive decomposition. These results establish a direct correlation between solvent-dependent reaction pathways and thermal stability in SIB alloy anodes.

Accelerating rate calorimetry

Insights into the thermo-hydraulic properties of compacted MX80 bentonite during hydration under elevated temperature

In high-level radioactive waste geological repositories, compacted bentonite undergoes coupled thermo-hydraulic processes due to heat released from a central waste canister and groundwater imbibition from the surrounding host rock. An understanding of these processes is essential for long-term simulations of radionuclide migration and canister corrosion, which requires an understanding of temperature effects on the coupled thermo-hydraulic properties governing these processes. In this study, a tank-scale radial infiltration test was used to investigate water imbibition processes in compacted bentonite under a central heater temperature of 200 °C that simulates high thermal gradients in a repository. Interpretation of this test focuses on evaluation of the liquid water wetting front during hydration and the interpretation of the temperature-dependent transient soil water retention curve (SWRC), thermal conductivity function (TCF), and hydraulic conductivity function (HCF). The SWRC during imbibition follows a temperature-dependent wetting path. Temperature effects on the hydraulic conductivity of bentonite in saturated conditions had the greatest effect on the shape of the HCF, with minimal temperature effects at higher suctions. The transient thermal conductivity data matched well with a new TCF linked with the SWRC shape. Although the bentonite layer was restrained, local deformations during hydration may have affected the shapes of the TCF and HCF.

Engineering

Combustor Technology for Future Small Gas Turbine Aircraft

To enhance fuel efficiency, future advanced small gas turbine engines will utilize engine cycles calling for overall engine pressure ratios, leading to higher combustor inlet pressures and temperatures. Further, the temperature rise through the combustor and the corresponding exit temperature are also expected to increase. This report describes future combustor technology needs for small gas turbine engines. New fuel injectors with large turndown ratios which produce uniform circumferential and radial temperature patterns will be required. Uniform burning will be of greater importance because hot gas temperatures will approach turbine material limits. The higher combustion temperatures and increased radiation at high pressures will put a greater heat load on the combustor liners. At the same time, less cooling air will be available as more of the air will be used for combustion. Thus, improved cooling concepts and/or materials requiring little or no direct cooling will be required. Although presently there are no requirements for emissions levels from small gas turbine engines, regulation is anticipated in the near future. This will require the development of low emission combustors. In particular, nitrogen oxides will increase substantially if new technologies limiting their formation are not evolved and implemented. For example, staged combustion employing lean, premixed/prevaporized, lean direct injection, or rich burn-quick quench-lean burn concepts could replace conventional single stage combustors. Due to combustor size considerations, staged combustion is more easily accommodated in large engines. The inclusion of staged combustion in small engines will pose greater combustor design challenges.

Valerie J Lyons

Application of Energy-efficient Electromagnetic Melt-Processing for the Upcycling of Recycled Polyphenylene Sulfide into Multifunctional Segregated Nanocomposites

Polyphenylene sulfide (PPS) is widely used in structural and functional composites because of its thermal stability, chemical resistance, and mechanical strength. As circular manufacturing becomes increasingly important, extending the service life of recycled PPS (rPPS) is essential. However, conventional high-temperature reprocessing accelerates thermo-oxidative degradation, reducing recycled composite performance. This study proposes a rapid and potentially energy-saving upcycling strategy for rPPS using electromagnetic (EM) melt-processing to form segregated carbon nanotube (CNT) networks and produce EM-responsive nanocomposites. The aim was to determine whether CNT-assisted EM heating could reduce polymer degradation while improving multifunctional properties at ultralow filler loadings. rPPS micropellets were coated with CNTs by ball milling to create conductive shells, then compacted into green bodies (GBs) and selectively melted by rapid EM irradiation. Structural, electrical, mechanical, rheological, and electromagnetic interference (EMI) shielding properties were evaluated. Electrical percolation occurred at an ultralow CNT loading of 0.08 wt%, with conductivity reaching (1.24 ± 0.74) × 10 -5 S⋅m -1 at 0.1 wt%. At this concentration, tensile strength and modulus increased by 72% and 99%, respectively. At ~ 0.7 mm thickness, X-band EMI shielding effectiveness reached 6 dB for GBs and 3 dB after EM processing. This shows that EM melt-processing upcycles rPPS into high-performance multifunctional nanocomposites with minimum thermal degradation.

recycled

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database

NASA Microgravity Combustion Science Program

Combustion is a key element of many critical technologies used by contemporary society. For example, electric power production, home heating, surface and air transportation, space propulsion, and materials synthesis all utilize combustion as a source of energy. Yet, although combustion technology is vital to our standard of living, it poses great challenges to maintaining a habitable environment. For example, pollutants, atmospheric change and global warming, unwanted fires and explosions, and the incineration of hazardous wastes are major problem areas which would benefit from improved understanding of combustion. Effects of gravitational forces impede combustion studies more than most other areas of science since combustion involves production of high-temperature gases whose low density results in buoyant motion, vastly complicating the execution and interpretation of experiments. Effects of buoyancy are so ubiquitous that their enormous negative impact on the rational development of combustion science is generally not recognized. Buoyant motion also triggers the onset of turbulence, yielding complicating unsteady effects. Finally, gravity forces cause particles and drops to settle, inhibiting deconvoluted studies of heterogeneous flames important to furnace, incineration and power generation technologies. Thus, effects of buoyancy have seriously limited our capabilities to carry out 'clean' experiments needed for fundamental understanding of flame phenomena. Combustion scientists can use microgravity to simplify the study of many combustion processes, allowing fresh insights into important problems via a deeper understanding of elemental phenomena also found in Earth-based combustion processes and to additionally provide valuable information concerning how fires behave in microgravity and how fire safety on spacecraft can be enhanced.

Merrill K King

Fatigue Life of Flow-Formed Aluminum 2195 and 6061 Alloys

The successful design and fabrication of metallic cryotanks for commercial aviation applications require lightweight, durable materials capable of withstanding high pressures and cryogenic temperatures through tens of thousands of thermomechanical refueling cycles. Flow forming is an advanced manufacturing technique that offers high-rate production and scalability for fabricating integrally stiffened cylinders suitable for cryotank applications. This work establishes the durability of flow-formed aluminum alloys by characterizing their fatigue life performance under conditions that mimic cryotank refueling cycles. Residual stresses in flow-formed aluminum-lithium (Al-Li) 2195-T6 cylinders were assessed using the contour method and found to be minimal. Fatigue life testing was conducted on flow-formed Al-Li 2195-T6 at room temperature and cryogenic temperatures (-321°F [-196°C]), with wrought Al-Li 2195-T6 serving as a baseline for comparison. Results showed that flow-formed materials exhibited fatigue performance comparable to or better than wrought materials, with no statistically significant differences observed between different specimen orientations relative to processing directions. Fractography revealed reduced delaminations in the flow-formed Al-Li 2195 samples as compared to wrought, indicating potential improvement to the microstructure that could result in improved service properties. Texture analysis using electron backscattered diffraction (EBSD) indicated recrystallization during heat treatment, potentially contributing to reduced delamination susceptibility. These findings demonstrating flow-formed material durability coupled with the high manufacturing efficiency of flow forming, makes flow forming an attractive process to produce aircraft cryotanks.

EBF3

Nuclear Safety [Vol. 16, No. 1, January-February 1975]

Nuclear Safety covers significant developments in the field of nuclear safety. The scope is limited to topics relevant to the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, safety considerations in regard to the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 AEC Working Paper on Population Density Around Nuclear Power-Plant Sites Adapted by J. Ft. Buchanan, 8 Water-Reactor Safety-Research Information Meeting by Wm. B. Cottrell, D. O. Hobson, and G. D. Whitman; ACCIDENT ANALYSIS: 29 Burnout in Boiling Heat Transfer. Part I: Pool-Boiling Systems by A. E. Bergles; PLANT SAFETY FEATURES: 43 Radionuclide Behavior During Normal Operation of Liquid-Metal-Cooled Fast Breeder Reactors. Part 1: Production by C. A. Erdman and A. B. Reynolds; CONSEQUENCES OF EFFLUENT RELEASE: 60 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 1: AEC-Owned Facilities by M. B. Biles and F. E. Coffman, 71 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 2: AEC-Licensed Facilities by L. B. Higginbotham and J. T. Collins; OPERATING EXPERIENCES: 76 Incident at the Lucens Reactor by J. M. Miller, 79 IAEA Symposium on Experience from Operating and Fueling of Nuclear Power Reactors by William A. Pryor, 87 Recent Occurrences at Nuclear Reactors and Their Causes Compiled by William R. Casto, 98 Summary of Operating U. S. Power Reactors as of Nov. 1. 1974, 101 Selected Safety-Related Occurrences Reported in September and October 1974 Compiled by William R. Casto; CURRENT EVENTS: 104 General Administrative Activities Compiled by Wm. B. Cottrell, 110 Action on Power-Reactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 119 Action on Nonreactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 121 Proposed Rule Changes as of Oct. 31, 1974; MISCELLANY: 97 ASTM—Euratom Symposium on Radiation Dosimetry: Developments and Standardization (Announcement), 118 Workshops on In-Pile Filter Testing (Announcement), 119 IAEA Symposium on Radiological Impacts from Releases from Nuclear Facilities into Aquatic Environments (Announcement).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

A stable high-humidity bubbler design to supply steam for solid oxide electrolysis cells

A stable steam supply is required for the operation of solid oxide electrolysis cells. Heated water bubblers are the most common method due to the simplicity and inherent safety of the method, however, several design challenges hinder effective implementation. Here, a stable and validated bubbler design is presented, capable of achieving very high steam concentrations, relatively high flow rates, and continuous operation. A piping and instrumentation diagram and bill of materials are provided to enable easy duplication. Critical design parameters are discussed, including safety considerations and materials requirements, which are applicable to any bubbler design. The practical implementation of bubblers is also presented, including methods to prevent condensation instability and reduce backpressure to achieve a stable steam supply. The 3″ x 6″ (7.6 cm × 15.2 cm) bubbler achieves up to 98% steam balance hydrogen at 200 sccm and up to 1 slpm at 96% steam.

08 - HYDROGEN

Fusion Safety Program Peer Review (August 31 and September 1, 1999) [Slides]

The Fusion Safety Program Peer Review conference, held on August 31 and September 1, 1999, focuses on advancing the understanding and management of radioactive and hazardous materials within deuterium-tritium (D-T) fusion machines. The conference aims to investigate the behavior of significant sources of radioactive materials, such as activation products, dust, tritium, and beryllium. Additionally, it seeks to comprehend how various energy sources in fusion facilities—such as magnets, plasma, decay heat, and chemical reactions—can mobilize these materials. A key objective of the conference is to develop integrated, state-of-the-art analytic tools to demonstrate the safety and environmental potential of fusion technology. Furthermore, the conference assesses and evaluates safety and environmental issues associated with emerging fusion concepts, including those in the ARIES, ALPS, APEX, and IFE projects. This comprehensive approach aims to ensure the safe and sustainable advancement of fusion energy.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY

Stabilization Of The CN 3 5− Anion In Recoverable High‐pressure Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) Oxoguanidinates

Abstract A series of isostructural Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) oxoguanidinates was synthesized under high‐pressure (25–54 GPa) high‐temperature (2000–3000 K) conditions in laser‐heated diamond anvil cells. The crystal structure of this novel class of compounds was determined via synchrotron single‐crystal X‐ray diffraction (SCXRD) as well as corroborated by X‐ray absorption near edge structure (XANES) measurements and density functional theory (DFT) calculations. The Ln 3 O 2 (CN 3 ) solids are composed of the hitherto unknown CN 3 5− guanidinate anion—deprotonated guanidine. Changes in unit cell volumes and compressibility of Ln 3 O 2 (CN 3 ) (Ln=La, Eu, Gd, Tb, Ho, Yb) compounds are found to be dictated by the lanthanide contraction phenomenon. Decompression experiments show that Ln 3 O 2 (CN 3 ) compounds are recoverable to ambient conditions. The stabilization of the CN 3 5− guanidinate anion at ambient conditions provides new opportunities in inorganic and organic synthetic chemistry.

Chemistry

Smart building HVAC control challenge: experience and solutions from the ADRENALIN project

A smart building HVAC control competition crowdsourced and compared algorithms on fair and equal ground using the standardized BOPTEST framework. The competition attracted 138 participants, but only 9% submitted valid solutions for the final stage, highlighting the complexity of advanced HVAC control design. The winning solutions showed significant potential to reduce energy use and cost by shifting demand, without compromising occupant comfort. Across scenarios, thermal energy cost reductions of 36–76% relative to a baseline, were achieved. In peak heat periods, the cost reduction leveraged limited energy use reduction (0–15%), but more significant energy price reduction (34–62%). This shows smart controls' ability to avoid as much as possible consumption during the morning peak hours, when spot prices are tendentially the highest. Hosting the competition has highlighted challenges in creating competitions that both are fair and promotes solutions that are transferable to real life implementation.

BOPTEST

Investigating the Combustion Performance of Dual Fuel Combustion with Diesel and Port Injected Hydrogen in a Large Bore Locomotive Engine

The heavy-duty transportation sector has primarily relied on conventional diesel combustion engines given their reliability and high thermal efficiency relative to spark ignition engines, but increased focus on reducing greenhouse gas emissions has led to investigation into alternative fuels. Gaseous hydrogen fuel has garnered a great deal of recent interest in the engine community given it has zero carbon, but hydrogen is not available at the scale and cost that petroleum fuels are currently available, and this is a barrier to adoption for industries that are looking to decarbonize their operations. Because of the fuel flexibility provided, dual fuel technology offers a pathway for some industries to adopt hydrogen as a fuel source while maintaining sufficient flexibility in times and locations where the new fuel is not yet available. This computational study investigates dual fuel combustion in a large bore locomotive engine architecture using direct injected diesel and port injected gaseous hydrogen fuel. With an optimal port fuel injection configuration from previous work, simulations of varying substitution ratio, compression ratio, manifold air temperature, diesel injection timing, and diesel injection pressure were performed to understand their effect on combustion performance. Results indicated that both increased substitution ratio and higher intake air temperature accelerates hydrogen flame propagation and can result in high peak cylinder pressures. Additionally, diesel injection timing and injection pressure were demonstrated as effective methods for controlling dual fuel combustion heat release rates.

ODonnell, Patrick Christopher

Experimental and Numerical Investigation of the NASA High Efficiency Centrifugal Compressor Vaned Stage Geometry and Aerodynamic Performance

Since its inception in the early 2010s, the NASA High Efficiency Centrifugal Compressor (HECC) has been enigmatic for the propulsion research community: experimental data and numerical simulations of the stage have generally not aligned in their quantifications of performance metrics. Typically, the fault for these disagreements is assigned to the numerical simulations as the simulations are models, and models are inherently incomplete representations of the experiment. This “incompleteness” may manifest in assumptions regarding roughness or heat transfer, simplifications of the flow path (i.e., neglecting bleed flows), or the oft-scapegoated turbulence model. In the case of HECC, recent work showed unexpected discrepancies between the intended impeller geometry defined in the design report (termed Design-Intent) and the manufactured impeller used in the experimental campaigns (termed As-Manufactured). That work used numerical simulations to establish that the geometric differences between the Design-Intent and As-Manufactured impellers were significant enough to result in drastically different performance predictions for the HECC vaneless diffuser configuration. The Design-Intent impeller simulations over predicted the performance relative to the experiment, whereas the As-Manufactured simulations better represented the experimental data, both in terms of one-dimensional performance metrics and spanwise flow profiles. This effort expands on that work by examining in detail the geometry and aerodynamic performance of the HECC vaned diffuser configuration. Further differences between the Design-Intent and As-Manufactured geometries have been discovered in the vaned diffuser and exit guide vanes, and these differences are documented herein. The summations of the geometric differences for all of the components were used to create two numerical models of HECC vaned diffuser configuration: the Design-Intent simulations which are generated from the original geometry definitions given in the design report and the As-Manufactured simulations which are the best available representation of the manufactured compressor hardware used in the experimental test campaigns. In congruence with the earlier vaneless diffuser work, the numerical predictions of the Design-Intent choked mass flow rate, total pressure ratio, and efficiency were notably greater than that of the As-Manufactured simulations. To increase confidence in the experimental dataset, measurements from a recent test campaign conducted in 2024 are used to validate the original experimental data acquired from 2012 to 2014 with good repeatability overall, especially considering the passage of time and differences in the data acquisition systems between the test campaigns. Both numerical simulations were then extensively evaluated against the experimental data. The As-Manufactured simulations provided better estimates of the stage performance than the Design-Intent cases in terms of most performance metrics. Nonetheless, more detailed results still show opportunities for improvement. Despite a more accurate representation of the physical hardware, characterization of the impeller work input remains a challenge even for rigorously developed numerical models.

vaned diffuser

Experimental and Numerical Investigation of the NASA High Efficiency Centrifugal Compressor Vaned Stage Geometry and Aerodynamic Performance

Since its inception in the early 2010s, the NASA High Efficiency Centrifugal Compressor (HECC) has been enigmatic for the propulsion research community: experimental data and numerical simulations of the stage have generally not aligned in their quantifications of performance metrics. Typically, the fault for these disagreements is assigned to the numerical simulations as the simulations are models, and models are inherently incomplete representations of the experiment. This “incompleteness” may manifest in assumptions regarding roughness or heat transfer, simplifications of the flow path (i.e., neglecting bleed flows), or the oft-scapegoated turbulence model. In the case of HECC, recent work showed unexpected discrepancies between the intended impeller geometry defined in the design report (termed Design-Intent) and the manufactured impeller used in the experimental campaigns (termed As-Manufactured). That work used numerical simulations to establish that the geometric differences between the Design-Intent and As-Manufactured impellers were significant enough to result in drastically different performance predictions for the HECC vaneless diffuser configuration. The Design-Intent impeller simulations over predicted the performance relative to the experiment, whereas the As-Manufactured simulations better represented the experimental data, both in terms of one-dimensional performance metrics and spanwise flow profiles. This effort expands on that work by examining in detail the geometry and aerodynamic performance of the HECC vaned diffuser configuration. Further differences between the Design-Intent and As-Manufactured geometries have been discovered in the vaned diffuser and exit guide vanes, and these differences are documented herein. The summations of the geometric differences for all of the components were used to create two numerical models of HECC vaned diffuser configuration: the Design-Intent simulations which are generated from the original geometry definitions given in the design report and the As-Manufactured simulations which are the best available representation of the manufactured compressor hardware used in the experimental test campaigns. In congruence with the earlier vaneless diffuser work, the numerical predictions of the Design-Intent choked mass flow rate, total pressure ratio, and efficiency were notably greater than that of the As-Manufactured simulations. To increase confidence in the experimental dataset, measurements from a recent test campaign conducted in 2024 are used to validate the original experimental data acquired from 2012 to 2014 with good repeatability overall, especially considering the passage of time and differences in the data acquisition systems between the test campaigns. Both numerical simulations were then extensively evaluated against the experimental data. The As-Manufactured simulations provided better estimates of the stage performance than the Design-Intent cases in terms of most performance metrics. Nonetheless, more detailed results still show opportunities for improvement. Despite a more accurate representation of the physical hardware, characterization of the impeller work input remains a challenge even for rigorously developed numerical models.

centrifugal compressor

Synthesis and investigation into explosive sensitivity for a series of new picramide explosives

Tailoring the molecular properties that govern energetic material sensitivity is essential to improve safety and help develop new energetic materials. Despite this need, understanding the complex chemistry and physics of explosive initiation and propagation is still a challenge. Recent work by our group has reinforced the view that explosive sensitivity under sub-shock conditions is connected to the strength of the weakest covalent bond in the molecule, that is, its “trigger linkage.” These correlations have been observed with different classes of energetic molecules and indicate that “trigger linkage” bond breaking, and heat of explosion are good indicators for the sensitivity trends. Herein we report the synthesis of aliphatic energetic materials with ethane, propane and neopentane backbones. Experimental and computational studies show that the trigger linkage model, based on results from quantum molecular dynamics simulations, correctly predicts trends observed in the impact sensitivity of the molecules. However, while the model predicts the impact sensitivities of the ethane series, the neopentane series has higher impact sensitivities than predicted, which is presumably influenced by crystal packing effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Impacts of Multidimensional Progenitor Perturbations on Core-collapse Supernova Explosions

Numerical studies of core-collapse supernovae have demonstrated the importance of nonradial motions in precollapse progenitors on the explosion outcome. We use the Chimera neutrino radiation hydrodynamics code running seven two-dimensional simulations of 15 M⊙ progenitors with different progenitor structures introduced by different one- and two-dimensional precollapse stellar evolution environments to examine the impacts of stellar structure and nonspherical motion in the precollapse progenitor on the development of explosions. We compare the explosion evolution of these models in terms of shock dynamics, diagnostic energy, neutrino heating, accretion, explosion geometry, nuclear abundances, and turbulent convection. We also analyze how stochastic variation impacts our simulations. Contrary to results reported in prior studies examining the impacts of multidimensional progenitors, we observe similar shock revival times and explosion development in our simulations despite differences in initial compositions and structures. We find no discernible impact from the accretion of nonradial perturbations from a multi-D progenitor onto the stalled shock in the revival and strength of explosion, as fully developed neutrino-driven convection behind the stalled shock is similar for all our models. For models with physically sourced noise in the iron core, a strong oscillation of the shock occurs after bounce and deflects infall laterally, and accelerates the saturation of the lateral turbulent kinetic energy. An examination of model stochasticity shows that any prior expected impacts on explosive outcome due to convection-related perturbations lie below the detectable threshold of numerical variation.

Chen, Chien-Hui [North Carolina State University]