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DOE OSTI2023

Shear and combustion characterization of printable ammonium perchlorate composite propellant formulations

Seven formulations of ammonium perchlorate composite propellant (APCP) are developed and their properties relevant for successful additive manufacture are characterized. Extrusion in a custom-built 3D printing system and spindle viscometry are used to collect viscosity measurements of curing primary and non-curing secondary versions of the formulations. The formulations that behave similarly to a Bingham plastic, with apparent viscosities between 4 and 8 thousand Pa*s at 30 minutes post-mix, are determined to be most suitable for printing applications. Measurements of one material show a yield stress of 1 kPa. Ambient pressure burn rates of 2.0–2.9 mm/s were measured for the compositions tested. All measured burn rates were comparable to the lower end of typical burn rates for APCP. In conclusion, the results of the characterization demonstrate a propellant suitable for use in a 3D printing system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Control of Thermo-Acoustics Instabilities: The Multi-Scale Extended Kalman Approach

"Multi-Scale Extended Kalman" (MSEK) is a novel model-based control approach recently found to be effective for suppressing combustion instabilities in gas turbines. A control law formulated in this approach for fuel modulation demonstrated steady suppression of a high-frequency combustion instability (less than 500Hz) in a liquid-fuel combustion test rig under engine-realistic conditions. To make-up for severe transport-delays on control effect, the MSEK controller combines a wavelet -like Multi-Scale analysis and an Extended Kalman Observer to predict the thermo-acoustic states of combustion pressure perturbations. The commanded fuel modulation is composed of a damper action based on the predicted states, and a tones suppression action based on the Multi-Scale estimation of thermal excitations and other transient disturbances. The controller performs automatic adjustments of the gain and phase of these actions to minimize the Time-Scale Averaged Variances of the pressures inside the combustion zone and upstream of the injector. The successful demonstration of Active Combustion Control with this MSEK controller completed an important NASA milestone for the current research in advanced combustion technologies.

Dzu K Le↗

DOE OSTI2026

Numerical Investigation of Fluid Flow and Space Charge in Liquid Argon Time Projection Chamber (LArTPC) Detectors

Overview This project focused on developing a high-fidelity numerical framework to simulate the multiphysics environment within Liquid Argon Time Projection Chamber (LArTPC) detectors. The primary objective was to characterize the complex interplay between ion transport, background fluid dynamics, and electric field distortions—a critical factor for the calibration and sensitivity of next-generation High Energy Physics experiments, such as DUNE. Technical Achievements The research successfully yielded a hybrid numerical space-charge solver utilizing a Cell-Centered Finite Volume Method (FVM) for ion transport coupled with a Finite Element Method (FEM) for electric potential. Key accomplishments include: • Verification & Validation: The 3-D solver was rigorously verified against 1-D analytical solutions, demonstrating high numerical accuracy in predicting space-charge-induced field deviations. • Field Distortion Analysis: 3D simulations revealed that space charge effects introduce significant non-uniformities in the electric field. Critically, the research identified that background LAr flow velocities, when comparable to ion drift velocities, markedly exacerbate these distortions. • Technology Transfer: The resulting source code and comprehensive user manuals were successfully transferred to collaborators at Fermilab, providing a portable computational tool for the broader scientific community. Challenges and Future Directions While the space-charge solver achieved all performance metrics, the integrated fluid dynamics modeling encountered convergence challenges stemming from the extreme 200-fold disparity in length scales between the detector's 37 mm inlet pipes and the 8-meter global domain. To address this, the project has identified a clear technical pivot toward Hierarchical Geometric Adaptive Mesh Refinement (HG-AMR). By implementing an h-type refinement strategy with hanging nodes, future iterations of this solver will be capable of resolving localized high-gradient inlet flows without the prohibitive computational costs of regular grids. This advancement, combined with data-driven uncertainty quantification based on MicroBooNE-style calibration, will enable the precise modeling of detector responses in large-scale cryogenic environments where direct measurement remains difficult. Impact The computational tools developed under this award provide a foundation for enhancing the energy resolution and spatial reconstruction of noble liquid detectors. By bridging the gap between theoretical fluid dynamics and experimental field calibration, this work supports the DOE’s mission to advance the frontiers of neutrino physics and dark matter detection.

42 ENGINEERING↗

DOE OSTI2025

Advanced Model Development for Large Eddy Simulation of Oxy-Combustion and Supercritical Carbon Dioxide Power Cycles

A joint experimental and numerical study is performed to observe the characteristics of a supercritical carbon dioxide turbulent mixing layer in the presence of strong nonlinearities in the thermodynamic and transport properties. A bespoke experimental setup is designed and employed for this purpose and provides insight into macroscopic mixing behavior. The mixing is experimentally observed using two techniques: shadowgraphy and spontaneous Raman scattering. Qualitative and quantitative intensity fields obtained via these techniques yield instantaneous and mean density data. Spanwise temperature data is also collected using analogue resistance temperature detectors. These measurements are used to quantify the level of mixed material within the field. The experimental data are supplemented by a companion high-fidelity numerical study. The numerical results are obtained through fully resolved, three-dimensional direct numerical simulation. The numerical dataset permits observation of the near-field mixing characteristics, which are difficult to measure experimentally due to the rapid dynamics and sharp thermophysical gradients in this area. Qualitative field visualizations are presented, followed by quantitative mixed material results and observations regarding thermodynamic property trends at select locations within the field. One-dimensional spectra of the turbulent kinetic energy and solenoidal dissipation are provided to observe the spectral characteristics of the flow. Reynolds stress anisotropy is analyzed graphically through anisotropy invariance maps (Lumley triangles). The mixing quantification, spectral data and anisotropy analysis of a flow at these thermodynamic conditions represent the main outcomes of the work.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Handbook of Molecular Beam Epitaxy of Oxide Materials: Epitaxial Complex Oxide Growth on Semiconductors

This chapter covers the epitaxy of complex oxides on common inorganic semiconductors. The chapter opens with an introduction, motivating the subject and highlighting key general challenges (Section 6.1). We then proceed to describe the general steps of the growth procedure in Section 6.2, which concludes with an overall discussion about trade-offs and expectation management, with an emphasis on the oxide–semiconductor interface. From there, the text describes oxide growth on the common semiconductors, starting with silicon (Section 6.3), where surface reactions and oxidation are the most challenging aspects. Oxide epitaxy on germanium is described in Section 6.4, which is a less challenging oxide growth scheme on semiconductors. Section 6.5 describes oxide epitaxy on gallium arsenide, one of the more challenging schemes, where interface stability and surface preparation pose key challenges. Finally, in Section 6.6, oxide epitaxy on gallium nitride is described, where the lattice mismatch takes the stage as the key challenge. Altogether, this chapter aims to provide the reader with the practical knowledge, tactics and strategies for oxide epitaxy on semiconductors.

Demkov, Alexander A [The University of Texas at Au↗

DOE OSTI2025

Internally Catalyzed Hydrogen Atom Transfer (I-CHAT)—A New Class of Reactions in Combustion Chemistry

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes.

Biochemistry & Molecular Biology↗

NASA NTRS2026

Updates and Modernization of the Chemical Equilibrium with Applications (CEA) Code

NASA’s Chemical Equilibrium with Applications (CEA) code is a foundational tool for propulsion system analysis. It provides equilibrium chemistry, rocket performance, shock, and detonation calculations used across NASA and the broader aerospace community. NASA Engineering and Safety Center (NESC) Activity TI-22-01730 modernized the legacy CEA2 Fortran code into CEA v3, a Fortran 2008, object-oriented software package with expanded interface support, updated thermochemical data, improved maintainability, and substantially improved workflow integration. The modernized code preserves backward compatibility with legacy CEA input workflows while enabling direct use from modern analysis environments, including Python, C, MATLAB, and automated design studies.

Combustion↗

DOE OSTI2026

Integrated Neutronics Modeling for Inertial Fusion Energy Systems: Development and Application to LD-FIRST

Lawrence Livermore National Laboratory (LLNL) is proposing a new Laser Driven Fusion Integration Research and Science Test Facility (LD-FIRST) with the goal of providing an experimental testbed for future Inertial Fusion Energy (IFE) systems. However, IFE systems require detailed and accurate multiphysics modeling to quantify material damage, thermal loading, and tritium breeding within complex chamber environments. This article presents the first step in an integrated multiphysics framework that couples meshed CAD-based geometry within Monte Carlo neutronic simulations to enable high-fidelity analysis of IFE chamber concepts, with future coupling to external codes. The neutronics workflow utilizes OpenMC and its third-party capability to use CAD-based geometries through DAGMC and tally on unstructured meshes with Libmesh to evaluate neutron transport behavior, geometric fidelity, and material performance under reactor-relevant conditions. The use of tailored tallies on unstructured meshes in this framework allows direct transfer without interpolating to CFD simulation tools. Two IFE chambers were evaluated, both conceived by LLNL: HYLIFE-II and Laser IFE (LIFE). This work produced high-fidelity conformal surface and volumetric meshes of the HYLIFE-II and LIFE chambers with mapped spatial insight into material damage, thermal loading, and tritium breeding. The HYLIFE-II model was built utilizing available resources and used as a test case to verify that the neutronics framework can handle complex geometries. The LIFE chamber CAD was provided by LLNL and was the main focus of this work. This work analyzes multiple ternary alloy breeding materials for the LIFE chamber, across different 6 Li enrichments to produce data relevant to the LD-FIRST project. This work also investigates the level of model fidelity for the LIFE chamber, and results show that inclusion of detailed first wall and coolant structures increased the predicted tritium breeding ratio (TBR) by ~30%, highlighting the sensitivity of tritium breeding and the need for a high-fidelity simulation framework for IFE chambers. These developments provide a scalable toolset for the design and optimization of next-generation IFE chambers, forming a solid foundation for future coupled multiphysics analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2026

Raising TRL of Your Lunar Payload

Preparing payloads for the lunar surface requires rigorous testing that accurately captures the extreme environmental and operational conditions. This presentation provides an overview of the lunar relevant test capabilities at NASA JSC’s Astromaterials Research and Exploration Science (ARES) laboratories as well as the Energy System Test Area (ESTA) Lunar Development and Test Facility. These facilities allow teams to assess hardware performance in dusty vacuum environments, characterize interactions with high fidelity lunar regolith simulants, evaluate mechanical and thermal durability, and understand the effects of micrometeoroid and orbital debris impacts—critical factors for certifying payloads that will operate on the lunar surface or in orbit. While Lunar power challenges such as variable illumination, extreme temperatures, and dust driven degradation will be briefly summarized, the focus of this talk is on how JSC’s test infrastructure enables developers to validate designs, reduce mission risk, and ensure compatibility with CLPS and Artemis objectives. NASA JSC’s expertise and experience help industry, academic, and government teams prepare robust hardware ready for successful delivery and operation on the surface of the Moon.

Lunar Regolith Simulant↗

NASA NTRS1998

Advanced Non-Intrusive Instrumentation for Propulsion Engines

Changes in engine technology such as higher temperatures, higher tip speeds, new metal/composite/ceramic materials together with radical changes in design philosophy will require amongst other prerequisites the ability to measure and to monitor key internal gas and structural characteristics. The symposium papers presented non-intrusive measurement and analysis technologies in the following categories: Laser Point Measurements (11); Absorption and Infrared Techniques (4); Paints - Surface Sensors (6); Laser Induced Fluorescence (6); Mechanical (7); Films (5); Laser Planar Measurement (9); and a Keynote Address.

Propulsion↗

NASA NTRS2026

Raising TRL of Your Lunar Payload

Laboratories↗

DOE OSTI2026

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration With Methane–Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible premixing tube allowing the optical diagnostics. The testing was conducted for varied premixer velocities (V) and equivalence ratio (ϕ) for 90–100% (H 2 , by mole) H 2 /CH 4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior, where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A large eddy simulation (LES) with detailed chemistry combustion modeling approach was implemented along with an OH* submechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

chemiluminescence diagnostic↗

NASA NTRS1994

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↗

NASA NTRSDate not supplied

MSFC Thermal Testing Lessons Learned Course. Section 3: Lessons Learned from Protoflight StarBurst Instrument Thermal Vacuum Test

MSFC thermal engineers will be presenting lessons learned while preparing and conducting thermal tests. This course will cover practical real world examples of thermal chamber and vacuum chamber testing from engineering development units to system level testing on flight hardware. Special topics include large scale testing preparation, requirement tailoring from parent documents, and cryogenic development testing.

thermal discipline↗

NASA NTRS2026

xEMU Spacesuit Boot Lunar South Pole Thermal Vacuum Testing

The Exploration Extravehicular Mobility Unit (xEMU) spacesuit lunar boot was evaluated in the Jet Propulsion Lab (JPL) CITADEL thermal vacuum chamber at lunar South Pole conditions. The JPL CITADEL chamber provides a radiation environment and contact plate temperature of 48K, simulating the temperature of a lunar Permanently Shadowed Region (PSR) at the South Pole of the Moon. The main objectives of the test series are: to evaluate the risk lunar PSRs pose to advanced spacesuit boots, validate the xEMU lunar boot thermal model, and to develop a test methodology to evaluate lunar spacesuit boots. To simulate the thermal effects of a crewmember’s foot inside the boot, a thermal manikin foot was developed to inject heat into the spacesuit boot. Thermal data was collected through a variety of sensors including thermocouples, thermistors, heat flux sensors, and infrared cameras. A test matrix was developed to investigate the variables of foot contact force, simulated skin temperature, external contact plate temperature, and ventilation flowrate. The JPL CITADEL chamber includes a loadlock (airlock) that afforded the ability to simulate the transition of the boot from a thermally neutral IVA condition to a cold EVA condition within seconds. This paper will document the test design, test objectives, success criteria, test support equipment, spacesuit boot to chamber interfaces, and configuration of the test article. Additionally, this paper will document the high-level results of the testing. More detailed test results will be presented in a different paper.

Ben Swartout↗

NASA NTRS2026

xEMU Spacesuit Boot Lunar South Pole Thermal Vacuum Testing

The Exploration Extravehicular Mobility Unit (xEMU) spacesuit lunar boot was evaluated in the Jet Propulsion Lab (JPL) CITADEL thermal vacuum chamber at lunar South Pole conditions. The JPL CITADEL chamber provides a radiation environment and contact plate temperature of 48K, simulating the temperature of a lunar Permanently Shadowed Region (PSR) at the South Pole of the Moon. The main objectives of the test series were: to evaluate the risk lunar PSRs pose to advanced spacesuit boots, validate the xEMU lunar boot thermal model, and develop a test methodology to evaluate lunar spacesuit boots. To simulate the thermal effects of a crewmember’s foot inside the boot, a thermal manikin foot was developed to inject heat into the spacesuit boot. Thermal data was collected through a variety of sensors including thermocouples, thermistors, heat flux sensors, and infrared cameras. A test matrix was developed to investigate the variables of foot contact force, simulated skin temperature, external contact plate temperature, and ventilation flowrate. The JPL CITADEL chamber includes a loadlock (airlock) that afforded the ability to simulate the transition of the boot from a thermally neutral IVA condition to a cold EVA condition within seconds. This paper will document the test design, test objectives, success criteria, test support equipment, spacesuit boot to chamber interfaces, and configuration of the test article. Additionally, this paper will document the high-level results of the testing. More detailed test results will be presented in a different paper.

TVAC↗

NASA NTRS1997

Radiation Temperature and Extinction of Transient Gaseous Diffusion Flames in Microgravity

The absence of buoyancy-induced flows in micro-g and the resulting increase in the reactant residence time significantly alters the fundamentals of many combustion processes. Substantial differences between 1-g and micro-g flames have been reported in experiments on candle flames, flame spread over solids, droplet combustion and others. These differences are more basic than just in the visible flame shape. Longer residence times and higher concentration of combustion products in the flame zone create a thermochemical environment which changes the flame chemistry and the heat and mass transfer processes. Processes such as flame radiation (and its interaction with flame chemistry), that are often ignored under normal gravity, become very important and sometimes even controlling. This is particularly true for conditions at extinction of a micro-g diffusion flame.

Arvind Atreya↗

NASA NTRS1997

Gravitational Effects in Smoldering and SHS

Smolder waves and SHS (self-propagating high-temperature synthesis) waves are both examples of filtration combustion waves propagating in porous media. Smoldering combustion is important for the study of fire safety. Smoldering itself can cause damage, its products are toxic and it can also lead to the more dangerous gas phase combustion which corresponds to faster propagation at higher temperatures. In SHS, a porous solid sample, consisting of a finely ground powder mixture of reactants, is ignited at one end. A high temperature thermal wave, having a frontal structure, then propagates through the sample converting reactants to products. The SHS technology appears to enjoy a number of advantages over the conventional technology, in which the sample is placed in a furnace and 'baked' until it is 'well done'. The advantages include shorter synthesis times, greater economy, in that the internal energy of the reactions is employed rather than the costly external energy of the furnace, purer products, simpler equipment and no intrinsic limitation on the size of the sample to be synthesized, as exists in the conventional technology.

Bernard J Matkowsky↗