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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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573 records · Page 7

Development of global/chemistry model for jet-fuel thermal stability based on observations from static and flowing experiments

Two global-chemistry models for oxidative deposition of jet fuels are evaluated by integrating them into a Computational Fluid Dynamics with Chemistry (CFDC) code. A previously developed two-step global-chemistry model was found to be insufficient to describe the thermal-oxidation and -deposition rates associated with a Jet-A fuel. A new global-chemistry model has been developed systematically based on observations from flowing and static experiments. The global-autoxidation reaction is modified such that the reaction rate becomes zeroth-order with respect to the dissolved oxygen concentration. The generation of deposit-forming precursor is coupled with the autoxidation reaction by introducing a radical species ROO. A formulation for the sticking probability has also been developed. Deposition profiles are well represented by this new model under a variety of temperature and flow conditions. The model correctly predicts the changes in magnitude and spatial location of the deposition peak due to changes in flow. The CFDC model, which is designed for flowing systems, has been extended to static experiments. The model incorporates a non-depleting species F(sub s) representing all non-oxygen compounds responsible for deposition. Static experiments were found to provide a useful and inexpensive method for estimating the concentration of F(sub s) in the fuel.

V. R. Katta

Spectroscopy in Nanoscopic Cavities: Models and Recent Experiments

The ability of nanophotonic cavities to confine and store light to nanoscale dimensions has important implications for enhancing molecular, excitonic, phononic, and plasmonic optical responses. Spectroscopic signatures of processes that are ordinarily exceedingly weak such as pure absorption and Raman scattering have been brought to the single-particle limit of detection, while new emergent polaritonic states of optical matter have been realized through coupling material and photonic cavity degrees of freedom across a wide range of experimentally accessible interaction strengths. In this review, we discuss both optical and electron beam spectroscopies of cavity-coupled material systems in weak, strong, and ultrastrong coupling regimes, providing a theoretical basis for understanding the physics inherent to each while highlighting recent experimental advances and exciting future directions.

Chemistry

Laser Beam Welding Benchmark Experiments Performed in Reduced Gravity and Vacuum

Laser beam welding (LBW) is affected by the extreme temperatures, reduced pressure, and reduced gravity present in space environments. Gravity and pressure especially influence its melt pool and solidification dynamics. A compact, modular vacuum chamber adaptable to flight platforms from parabolic to orbital currently hosts an experiment to investigate the combined influence of reduced gravity and pressure on LBW. A swappable cartridge contains a rotating platen on which customizable workpieces can be welded under vacuum, greatly increasing experimental throughput. Instrumentation includes weld and thermal cameras observing the process, thermocouples placed on workpieces, accelerometers, and vacuum sensors. Experimental data gathered during the welding process will be combined with post-flight nondestructive evaluation, metallography, and mechanical testing to provide validation datasets for computational modeling. Phase I of this effort involves a parabolic flight campaign in low gravity while an anticipated Phase II would proceed to in-space demonstration to access extended duration microgravity.

in-space welding

Diverse organic molecules on Mars revealed by the first SAM TMAH experiment

The search for organic matter on Mars has rapidly evolved in the past decade with simple aromatic, S-heterocycles, and aliphatic organic molecules detected in Gale crater. We report the in situ detection of >20 organic molecules from clay-bearing sandstones in the ~3.5-billion-year-old Knockfarrill Hill member of Glen Torridon, Gale crater, by the Sample Analysis at Mars instrument suite onboard the Curiosity rover. These molecules were liberated by the onboard tetramethylammonium hydroxide wet chemistry experiment. Diverse thermochemolysis products, including benzothiophene, methyl benzoate, and single and dicyclic aromatic molecules were released and detected by evolved gas analysis and gas chromatography-mass spectrometry. Results indicate the experiment successfully released molecules preserved in ancient macromolecular or free organic matter within Martian bedrock despite ~3.5 billion years of diagenesis and radiation exposure.

Amy J Williams

Skylab M551 Metals Melting Experiment

The objectives of the M551 Metals Melting Experiment are to (a) study behavior of molten metal, (b) characterize metals melted and solidified in the low gravity space environment compared to one-gravity of earth, and (c) determine feasibility of joining metals in space. The experiment used the electron beam (EB) and chamber of the M512 apparatus to make a dwell puddle and a melt in a rotating disc of varying thickness. Hence, the EB performed cut-through, full and partial penetration melts, in addition to a re-solidified button. The three disc materials were aluminum 2219-T87, 304 stainless steel and pure tantalum to provide a wide range of density and melting conditions. Observations to date include (a) the proof that EB welding, cutting and melting can be done successfully in low gravity. Earlier, some welding authorities had postulated that without gravity the EB would force the molten puddle out of contact. However, the experiment proved that surface tension forces predominate. (b) From the view-point of cast-solidification, small, equiaxed grains in Skylab specimens compared to large, elongated grains in ground-based specimens were observed. The former are thought to be associated with constitutional supercooling and nucleation where the latter are associated with dendritic solidification. In further support of the more equiaxed grain growth in Skylab, symmetric sub-grain patterns were frequently observed where there was much less symmetry in ground-based specimens. Further work is being done to explain the differences in solidification.

E C Mckannan

Henry’s Solubility and Diffusion Coefficients for 29 Volatile Organic Compounds in Polydimethylsiloxane Sylgard 184 at 293 K

Two-dimensional (2D) inverse gas chromatography (IGC) enables simultaneous determination of Henry’s solubility and Fickian diffusion coefficients for volatile organic compounds (VOCs) in polymer films. This technique offers a significant advantage over traditional cylindrical column IGC by providing precise control and measurement of the film thickness (here, 0.064 ± 0.002 mm), which is the critical length scale for accurate diffusivity determination. We apply this methodology to characterize VOC transport in Sylgard 184, a widely used polydimethylsiloxane (PDMS)-based polymer containing substantial silica filler content. At room temperature (20 °C), we measured solubility and diffusion coefficients for 29 common VOCs spanning diverse chemical functionalities, including alkanes, aromatics, chlorinated solvents, ketones, esters, and alcohols. Comparison with literature data for pure PDMS reveals that VOC solubility in Sylgard 184 is generally higher; for most non-hydrogen-bonding compounds it remains within a factor of 2 of pure PDMS, whereas alcohols are enhanced by roughly 1.8 to 3.7 times, which we attribute to favorable interactions with residual silanol groups on the silanized silica filler. Diffusion coefficients range from 1.0 × 10 –6 cm 2 /s (n-undecane) to 8.9 × 10–5 cm 2 /s (acetonitrile) and align well with extrapolated literature values for PDMS. This study provides essential thermodynamic and transport data for predicting VOC permeation in Sylgard 184 while demonstrating the utility of 2D IGC as a robust technique for characterizing rubbery polymer membranes across diverse industrial applications.

organic

The NASA Turbulent Heat Flux (THX) Experiments: Summary and Lessons Learned

The Turbulent Heat Flux (THX) experiments were conducted at NASA Glenn Research Center (GRC) in order to collect measurements of velocities and temperatures for computational fluid dynamics (CFD) validation of heated flows, with a focus on propulsion system components. The experiments spanned 5 phases; four of which were conducted in the GRC AeroAcoustic Propulsion Laboratory (AAPL) using the Small Hot Jet Flow Rig (SHJAR). In addition to making velocity measurements with Particle Image Velocimetry (PIV), the THX experiments introduced a new Raman-scattering based capability to measure temperatures. Computational studies were also conducted for each of the experimental configurations, in order to provide a baseline of expected CFD results and conduct an assessment of the capability of various CFD approaches for calculating flows where the turbulent transport of heat was important. Two of the collected sets of data were used for American Institute of Aeronautics and Astronautics (AIAA) Propulsion Aerodynamic Workshops (PAWs). The data set from the 5th phase, collected for heated supersonic jets, was also used to construct new validation cases for the NASA Turbulence Model Resource (TMR). This paper provides an overview of the experiments and associated computations for each of the 5 test phases. Key experimental findings are presented. Lessons learned are provided concerning the effect of computational modeling choice on accuracy of predicting turbulent flows where thermal transport is important. Emphasis is placed on comparing Reynolds-averaged Navier-Stokes approaches with large-eddy simulation approaches. The benefits of utilizing a conjugate heat transfer method in conjunction with CFD solver for film cooling is demonstrated.

RANS

The NASA Turbulent Heat Flux Experiments: Summary and Lessons Learned

The Turbulent Heat Flux (THX) experiments were conducted at NASA Glenn Research Center (GRC) in order to collect measurements of velocities and temperatures for computational fluid dynamics (CFD) validation of heated flows, with a focus on propulsion system components. The experiments spanned 5 phases; four of which were conducted in the GRC AeroAcoustic Propulsion Laboratory (AAPL) using the Small Hot Jet Flow Rig (SHJAR). In addition to making velocity measurements with Particle Image Velocimetry (PIV), the THX experiments introduced a new Raman-scattering based capability to measure temperatures. Computational studies were also conducted for each of the experimental configurations, in order to provide a baseline of expected CFD results and conduct an assessment of the capability of various CFD approaches for calculating flows where the turbulent transport of heat was important. Two of the collected sets of data were used for American Institute of Aeronautics and Astronautics (AIAA) Propulsion Aerodynamic Workshops (PAWs). The data set from the 5th phase, collected for heated supersonic jets, was also used to construct new validation cases for the NASA Turbulence Model Resource (TMR). This paper provides an overview of the experiments and associated computations for each of the 5 test phases. Key experimental findings are presented. Lessons learned are provided concerning the effect of computational modeling choice on accuracy of predicting turbulent flows where thermal transport is important. Emphasis is placed on comparing Reynolds- averaged Navier-Stokes approaches with large-eddy simulation approaches. The benefits of utilizing a conjugate heat transfer method in conjunction with CFD solver for film cooling is demonstrated.

RANS

The Canadian Galactic Emission Mapper (CGEM) A Cosmic Microwave Foreground Experiment

The Canadian Galactic Emission Mapper (CGEM) is a 4-meter single-dish radio telescope located at the Dominion Radio Astrophysical Observatory (DRAO) in Penticton, Canada. CGEM is designed to map polarized Galactic synchrotron emission across the entire northern sky at 8-10 GHz with 1 MHz frequency resolution and ∼ 0.5 degree angular resolution. Its goal is to obtain high-fidelity, low-noise maps of polarized Galactic synchrotron radiation, at frequencies where synchrotron dominates, in order to provide a reliable template for CMB B−mode foreground cleaning. We will show on sky performance of CGEM’s single-pixel azimuthally-symmetric telescope, its coherent, dual-polarized radiometer, and show maps made from commissioning data from the first few months of operation.

Cosmic microwave background

Science Results from the Spaceborne Imaging Radar-C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR): Progress Report

The Spaceborne Imaging Radar-C/X-band Synthetic Aperture Radar (SIR-C/X-SAR) is the most advanced imaging radar system to fly in Earth orbit. Carried in the cargo bay of the Space Shuttle Endeavour in April and October of 1994, SIR-C/X-SAR simultaneously recorded SAR data at three wavelengths (L-, C-, and X-bands; 23.5, 5.8, and 3.1 cm, respectively). The SIR-C/X-SAR Science Team consists of 53 investigator teams from more than a dozen countries. Science investigations were undertaken in the fields of ecology, hydrology, ecology, and oceanography. This report contains 44 investigator team reports and several additional reports from coinvestigators and other researchers.

Diane L Evans

Test Data Analysis of the Thermodynamic Vent System-Augmented Top Spray Injector Liquid Nitrogen Transfer Experiments

Traditionally, a cryogenic tank must be pre-chilled to some “target” temperature before the main vent valve can be closed to attempt a non-vented fill (NVF) of cryogenic liquid propellant. This methodology is particularly attractive for performing in-space transfer of cryogens due to the unknown location of the liquid/vapor interface in microgravity and the high likelihood of venting liquid if the vent valve is opened during transfer. This paper presents in-depth test data analysis of a Thermodynamic Vent System (TVS) augmented injector used for cryogenic tank chilldown and fill experiments of a thin-walled Titanium tank. Eight tests were conducted using liquid nitrogen across a range of inlet conditions and boundary conditions, and three different chilldown/fill methods. For four of the tests, the injector sprays liquid into the tank as normal, but also uses a TVS heat exchanger to cool the metallic injector itself as well as the main incoming liquid stream. Results show that using the TVS augmented injector simplifies transfer operation via enhanced condensation at the injector surface at the cost of sacrificing only a small amount of propellant.

Thermodynamic Vent System

Long Duration Exposure Facility experiment M0003 deintegration observation database

The four trays of the M0003 materials experiment on LDEF contained 1274 samples from 19 subexperiments. The complete sample complement represented a broad range of materials, including thin film optical coatings, paints, polymer sheets and tapes, adhesives, and composites, for use in various spacecraft applications including thermal control, structures, optics, and solar power. Since some subexperiments included duplicate samples exposed on the leading and trailing edge trays, for 9 week, 19 week, 40 week, and 68 month durations on both the leading and trailing edges, comparisons provided a valuable time history of degradation. During the deintegration of the subexperiments from the M0003 trays, each sample was examined using bright field, dark field, and Normarski light microscopy techniques. Over 3,000 color macrographs and photomicrographs were made of the condition of M0003 trays and the individual samples. Records of the condition of the samples, photographic records, and all available references of publications on postflight analyses on each sample were collected in a database. The photographs provide a visual comparison of the response of materials common to various subexperiments in different LDEF environments. Aerospace Corporation is distributing the database records and photographs and written records on materials of interest from the database is given in this presentation.

S. R. Gyetvay

Bosch Carbon Catalyst Regeneration in Water III: Experiments for and Related to Thermal Shock

Bosch technology has the potential to close the atmospheric revitalization loop by providing theoretically 100% regeneration of metabolic carbon dioxide into oxygen. The main obstacle to using Bosch technology is over-pressurization issues in the carbon formation reactor. Prior work on Bosch catalyst regeneration established that agitating carbon coated beads in water broke up pressure causing clogs and regenerated the catalyst surface. This process proved to be time consuming with experiments taking at least one hour to regenerate ten grams of carbon coated beads. In an attempt to shorten the processing time, thermally shocking the carbon coated beads prior to mechanical agitation was tested. Agitating the carbon coated beads after exposure to a saturated steam environment was also tested to ensure that the steam generated by thermally shocking the carbon coated beads would not cause adverse effects. The rationale behind thermally shocking the carbon coated beads is that the bead would pull away from the carbon shell due to a difference in the thermal expansion coefficients. The results of this project show that the processing time can be cut in half when compared to previous work, and that saturated steam has little to no effect on regeneration.

Bosch Process

In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi: Simulations vs. Experiment

A recent microstructure-based FEM model that couples crystal-based plasticity, the B2<-> MB190 phase transformation and anisotropic elasticity at the grain scale is calibrated to recent data for polycrystalline NiTi (49.9 at.% Ni). Inputs include anisotropic elastic properties, texture and differential scanning calorimetry data, as well as a subset of recent isothermal deformation and load-biased thermal cycling data. The model is assessed against additional experimental data. Several experimental trends are captured - in particular, the transformation strain during thermal cycling monotonically increases and reaches a peak with increasing bias stress. This is achieved, in part, by modifying the martensite hardening matrix proposed by Patoor et al. [Patoor E, Eberhardt A, Berveiller M. J Phys IV 1996;6:277]. Some experimental trends are underestimated - in particular, the ratcheting of macrostrain during thermal cycling. This may reflect a model limitation that transformation-plasticity coupling is captured on a coarse (grain) scale but not on a fine (martensitic plate) scale.

Phase Transformations

Satellite Material Contaminant Optical Properties

The Air Force Wright Research and Development Center and the Arnold Engineering Development Center are continuing a program for measuring optical effects of satellite material outgassing products on cryo-optic surfaces. Presented here are infrared (4000 to 700 cm -1 ) transmittance data for contaminant films condensed on a 77 K geranium window. From the transmittance data, the contaminant film refractive and absorptive indices (n, k) were derived using an analytical thin-film interference model with a nonlinear least-squares algorithm. To date 19 materials have been studied with the optical contents determined for 13 of those. The materials include adhesives, paints, composites, films, and lubricants. This program is continuing and properties for other materials will be available in the future.

B E Wood

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING

Radiation sensitivity of quartz crystal oscillators experiment for the Long Duration Exposure Facility (LDEF)

Factors determining the radiation sensitivity of quartz crystal oscillators were studied on NASA's LDEF. Quartz materials were examined in the transmission electron microscope (TEM) and classified as to their sensitivity to radiation damage by establishing the rate of damage caused by the electron beam in the microscope. Two types of materials, i.e., swept premium Q quartz and natural quartz were chosen because clear differences were observed in their response to the electron beam in the TEM studies. Quartz resonators were then fabricated from them, tested for frequency stability over a greater than 6 mo. period and flown on the LDEF satellite. After retrieval (more than 7 yrs in space) the stability of the resonators was again determined. All of the space exposed resonators fabricated with swept premium Q material exhibited a frequency shift above that of the control resonators: none of the resonators fabricated from the natural quartz materials exhibited such a shift. The significant differences observed between the two types of materials in both the ground-based TEM studies and the space radiation induced frequency changes suggest that there may be a correlation between the two observations.

J. S. Ahearn