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

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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Simulated infrared emission spectra of highly excited polyatomic molecules: a detailed model of the PAH-UIR hypothesis

A detailed description of the polycyclic aromatic hydrocarbon (PAH)/unidentified infrared band (UIR) mechanism is presented in which experimental spectral bandshape functions are used to simulate IR emission spectra for individual molecules. These spectra are additively superimposed to produce a conglomerate spectrum representative of a family of PAH molecules. Ab initio vibrational frequencies and intensities for nine PAHs (neutral and cationic) as large as ovalene are used in conjunction with measured bandshape and temperature-dependent redshift data to simulate the UIR bands. The calculated spectra of cations provide a closer match to the UIRs than do those of the neutrals. However, the PAH cations used in the simulations fail to reproduce the details of the UIR emission spectra. The discrepancies are potentially alleviated if both larger PAHs and a greater number of PAHs were included in the simulation.

Non-NASA Center↗
NASA NTRS2012

High-Reynolds Number Active Blowing Semi-Span Force Measurement System Development

Recent wind-tunnel tests at the NASA Langley Research Center National Transonic Facility utilized high-pressure bellows to route air to the model for evaluating aircraft circulation control. The introduction of these bellows within the Sidewall Model Support System significantly impacted the performance of the external sidewall mounted semi-span balance. As a result of this impact on the semi-span balance measurement performance, it became apparent that a new capability needed to be built into the National Transonic Facility s infrastructure to allow for performing pressure tare calibrations on the balance in order to properly characterize its performance under the influence of static bellows pressure tare loads and bellows thermal effects. The objective of this study was to design both mechanical calibration hardware and an experimental calibration design that can be employed at the facility in order to efficiently and precisely perform the necessary loadings in order to characterize the semi-span balance under the influence of multiple calibration factors (balance forces/moments and bellows pressure/temperature). Using statistical design of experiments, an experimental design was developed allowing for strategically characterizing the behavior of the semi-span balance for use in circulation control and propulsion-type flow control testing at the National Transonic Facility.

Lynn, Keith C.↗
NASA NTRS2013

Implementation of Sub-Cooling of Cryogenic Propellants by Injection of Non-condensing Gas to the Generalized Fluid Systems Simulation Program (GFSSP)

Cryogenic propellants are readily heated when used. This poses a problem for rocket engine efficiency and effective boot-strapping of the engine, as seen in the "hot" LOX (Liquid Oxygen) problem on the S-1 stage of the Saturn vehicle. In order to remedy this issue, cryogenic fluids were found to be sub-cooled by injection of a warm non-condensing gas. Experimental results show that the mechanism behind the sub-cooling is evaporative cooling. It has been shown that a sub-cooled temperature difference of approximately 13 deg F below saturation temperature [1]. The phenomenon of sub-cooling of cryogenic propellants by a non-condensing gas is not readily available with the General Fluid System Simulation Program (GFSSP) [2]. GFSSP is a thermal-fluid program used to analyze a wide variety of systems that are directly impacted by thermodynamics and fluid mechanics. In order to model this phenomenon, additional capabilities had to be added to GFSSP in the form of a FORTRAN coded sub-routine to calculate the temperature of the sub-cooled fluid. Once this was accomplished, the sub-routine was implemented to a GFSSP model that was created to replicate an experiment that was conducted to validate the GFSSP results.

Huggett, Daniel J.↗
NASA NTRS2013

Creep and Environmental Durability of EBC/CMCs Under Imposed Thermal Gradient Conditions

Interest in SiC fiber-reinforced SiC ceramic matrix composite (CMC) environmental barrier coating (EBC) systems for use in high temperature structural applications has prompted the need for characterization of material strength and creep performance under complex aerospace turbine engine environments. Stress-rupture tests have been performed on SiC/SiC composites systems, with varying fiber types and coating schemes to demonstrate material behavior under isothermal conditions. Further testing was conducted under exposure to thermal stress gradients to determine the effect on creep resistance and material durability. In order to understand the associated damage mechanisms, emphasis is placed on experimental techniques as well as implementation of non-destructive evaluation; including electrical resistivity monitoring. The influence of environmental and loading conditions on life-limiting material properties is shown.

Appleby, Matthew↗
NASA NTRSDate not supplied

Enhanced UAS Availability via Vehicle to Vehicle Routing Scaled Experiments

The safe integration of modern unmanned aerial systems into the national airspace requires the ability to be able to confirm that the vehicles are working as planned. This means the availability of the vehicle and latency of the communication is critical. These requirements, along with a complex and multifaceted environment as well as the unmanned air traffic management framework, present a unique optimization problem. In this paper, we articulate our envisioned problem space and create a scaled-down version to test the functional feasibility of utilizing the vehicle to vehicle communication as a secondary communication assurance mechanism. We present our framework, experimental approach, and some lessons learned through the process.

Nicholas B Cramer↗
DOE OSTI2021

Origins of Acid-Gas Stability Behavior in Zeolitic Imidazolate Frameworks: The Unique High Stability of ZIF-71

Zeolitic imidazolate frameworks (ZIFs) are promising materials for industrial process separations, but recent literature reports have highlighted their vulnerability to acid gases (e.g., SO 2 , CO 2 , NO 2 , H 2 S), often present in practical applications. While previous work has documented the widely varying stability behavior of many ZIFs under varying (humid and dry) acid gas environments, efforts to explain or correlate these experimental observations via empirical descriptors have not succeeded. A key observation is that ZIF-71 (RHO topology) is an extraordinarily stable ZIF material, retaining both structure and porosity under prolonged humid SO 2 exposure whereas many other well-known ZIFs with different linkers and topologies (such as ZIF-8) were shown to degrade. Through a combination of hybrid quantum mechanics/molecular mechanics (QM/MM) based methods and statistical mechanical models, we successfully explain this important experimental observation via atomistic investigations of the reaction mechanism. Our holistic approach reveals an ~9 times lower average defect formation rate in ZIF-71 RHO compared to ZIF-8 SOD, leading to the conclusion that the observed experimental stability of this material rises from kinetic effects. Moreover, our analysis reveals that differing stability of the two materials is determined by the distributions of acid gas molecules, which is difficult to capture using empirical descriptors. Furthermore, our results suggest wider applicability of the present approach, toward identifying tuned functional groups and topologies that move the acid gas distributions away from more reactive sites and thus allow enhanced kinetic stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An innovative radial gradient material design using hot isostatic pressing for applications in extreme environments

Functionally graded materials (FGMs) are highly advanced continuous or discontinuous structures whose structural and material properties vary along a singular geometric dimension either in the axial or radial direction. Here, the radial gradient FGM design makes for an optimal structural design to incorporate a bi-metallic structure with a copper-based high entropy alloy (Cu-HEA) with good mechanical properties and high irradiation resistance, and Chromium (Cr) with great corrosion resistance. This study focuses on the experimental design of a metal powder loading mechanism to fabricate a bi-metallic radial gradient structure using Cu-HEA and 99.9 % pure Cr metal powders. The powder loading strategy uses custom-designed concentric cylindrical dividers to separate the individual compositions. Two benchtop trial runs were performed for design optimization. The optimized design was then implemented to eventually load the HEA and Cr powders for consolidation via powder metallurgy hot isostatic pressing (PM-HIP). The electron microscopy analysis reveals the successful fabrication of the radial gradient structure with the chemical mapping analysis, demonstrating the gradual composition shift from the HEA at the center to the pure-Cr at the periphery via a three-step gradient.

High Entropy Alloys (HEAs)↗
DOE OSTI2019

Charge Movement and Structural Changes in the Gas-Phase Unfolding of Multimeric Protein Complexes Captured by Native Top-Down Mass Spectrometry

The extent to which noncovalent protein complexes retain native structure in the gas phase is highly dependent on experimental conditions. Energetic collisions with background gas can cause structural changes ranging from unfolding to subunit dissociation. Additionally, recent studies have highlighted the role of charge in such structural changes, but the mechanism is not completely understood. In this study, native top down (native TD) mass spectrometry was used to probe gas-phase structural changes of alcohol dehydrogenase (ADH, 4mer) under varying degrees of in-source activation. Changes in covalent backbone fragments produced by electron capture dissociation (ECD) or 193 nm ultraviolet photodissociation (UVPD) were correlated to structural changes of the ADH 4mer. ECD fragments indicated unfolding started at the N-terminus, and the charge states of UVPD fragments enabled monitoring of charge migration to the unfolded regions. Interestingly, UVPD fragments also indicated that the charge at the “unfolding” N-terminus of ADH decreased at high in-source activation energies after the initial increase. We proposed a possible “refolding-after-unfolding” mechanism, as further supported by monitoring hydrogen elimination from radical a-ions produced by UVPD at the N-terminus of ADH. However, “refolding-after-unfolding” with increasing in-source activation was not observed for charge-reduced ADH, which likely adopted compact structures that are resistant to both charge migration and unfolding. Combined, these results support a charge-directed unfolding mechanism for protein complexes. Overall, an experimental framework was outlined for utilizing native TD to generate structure-informative mass spectral signatures for protein complexes that complement other structure characterization techniques, such as ion mobility spectrometry and computational modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Unraveling small-scale defects in irradiated ThO 2 using kinetic Monte Carlo simulations

Point defects and their clusters generated through irradiation can have significant impact on the physical and mechanical properties of materials. However, direct experimental visualization of these small-scale defects using high-resolution scanning transmission electron microscopy remains a challenging task. In this study, using thorium dioxide (ThO 2 ) with the fluorite structure as a model system, we demonstrate the use of ab initio basin-hopping simulations in synergy with object kinetic Monte Carlo simulations as a powerful tool for identifying small defect complexes in irradiated materials. In addition to providing quantitative insights into defect evolution in ThO 2 under irradiation, our study reveals an unexpected role of bound anti-Schottky defect clusters in mediating defect transport. Remarkably, despite their poor thermal stability against dissociation at high temperatures, the transient formation of bound anti-Schottky defects under irradiation and their subsequent migration provide the dominant mechanism for the growth of large interstitial loops that have been experimentally observed in ThO 2 .

36 MATERIALS SCIENCE↗
NASA NTRS2010

High-Speed Boundary-Layer Transition Induced by an Isolated Roughness Element

Progress on an experimental effort to quantify the instability mechanisms associated with roughness-induced transition in a high-speed boundary layer is reported in this paper. To simulate the low-disturbance environment encountered during high-altitude flight, the experimental study was performed in the NASA-Langley Mach 3.5 Supersonic Low-Disturbance Tunnel. A flat plate trip sizing study was performed first to identify the roughness height required to force transition. That study, which included transition onset measurements under both quiet and noisy freestream conditions, confirmed the sensitivity of roughness-induced transition to freestream disturbance levels. Surveys of the laminar boundary layer on a 7deg half-angle sharp-tipped cone were performed via hot-wire anemometry and pitot-pressure measurements. The measured mean mass-flux and Mach-number profiles agreed very well with computed mean-flow profiles. Finally, surveys of the boundary layer developing downstream of an isolated roughness element on the cone were performed. The measurements revealed an instability in the far wake of the roughness element that grows exponentially and has peak frequencies in the 150 to 250 kHz range.

Kegerise, Michael A.↗
DOE OSTI2025

Developing the Science Basis for Understanding Polymer Encapsulant Degradation Mechanisms: DuraMAT 2.0 Final Project Report

Polymeric encapsulants are essential materials in photovoltaic modules, protecting sensitive electronics from the environment while providing mechanical integrity to the multilayered assembly. However, these polymeric materials are susceptible to degradation processes driven by the ingress of environmental species, ultraviolet radiation, thermal stresses, and mechanical loading. In this study, we employ a combined atomistic simulation and accelerated aging experimental approach to study the molecular-scale mechanisms of encapsulant degradation. Classical molecular dynamics simulations quantify the diffusion of environmental and degradation species through the polymer matrix, producing composition-specific diffusion coefficients. Reactive simulations characterize activation energy barriers and reaction rate constants for key chemical pathways. In parallel, thermal-desorption analyses coupled with mass spectrometry monitor the emergence and concentration profiles of degradation products under controlled stressor conditions. By integrating simulation and experiment, we establish quantitative correlations between polymer composition, species diffusivity, and chemical reactivity. We anticipate that these relations and quantitative values could serve as high-fidelity inputs to reaction-diffusion models, enabling physics-informed lifetime predictions and guiding the design of more durable encapsulant materials for solar energy applications.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Characterization of Composites Response at High Rates of Deformation

The objective of the proposed research is to experimentally study the effect of strain rate on mechanical response (deformation and failure) of IM-7/977-2 carbon fiber/epoxy matrix composites. The experimental data will provide the information needed for the development of a nonlinear, rate dependent deformation and strength model for this material that can subsequently be used in design.

Gilat, Amos↗
DOE OSTI2025

Characterizing and modeling the mechanical behavior of an anion exchange membrane for carbon capture applications

A new direct air capture (DAC) technology uses a moisture swing (MS) process with anion exchange membranes, potentially offering a more energy-efficient way to remove CO₂ from the air. In this MS process, the membrane absorbs CO₂ as it dries and releases it when water is added. Understanding the mechanical behavior of these membranes is essential for improving the design and efficiency of DAC systems and prolonging sorbent lifetime. This study tested one anion exchange membrane, Fumasep’s FAA-3, under mechanical loading and various temperature and humidity conditions to measure its swelling, stiffness, strength, plastic deformation, and stress relaxation. Experimental results were used to identify a mechanical model for FAA-3 that can be used to predict the material’s nonlinear viscous behavior under various loads and environments. Unlike prior studies that assumed linear elastic behavior, this work incorporates humidity-dependent swelling, thermal expansion, and nonlinear viscoelasticity of FAA-3 in both the experiments and the model.

Direct air capture↗
NASA NTRS2019

Employing Automated Experimental Evolution to Understand Survival Strategies of Lab-Grown Extremophiles

Experimental evolution (EE) exposes microbes to intentional stressors to improve resistance through artificial mutation. The resulting changes to metabolic pathways, protein structure, and genetic sequences, along with traditional genetic engineering tools, to can help understand the mechanisms of improved tolerance. An automated experimental set-up -- the Automated Adaptive Directed Evolution Chamber (AADEC) -- with minimal scope for human interference was developed at NASA Ames. A second- generation device integrating more real-time biochemical sensors has been developed recently. Added sensors include pH for indicating metabolic products, oxidation-reduction potential (ORP) for indicating available/consumed metabolic energy, dissolved oxygen (DO) for indicating aerobic/anaerobic growth cycles, and electrical conductivity (EC) as an additional indicator of metabolic products. With four additional sensors, the system is biochemically more informative in real-time. More importantly, each sensor parameter can be used as a selection pressure, individually or in combination with others, to artificially create and control inhospitable environments analogous to extremophile habitats for microbial growth in the lab. Potential stressors to be added in the future include thermal, reactive oxygen species, metal-ion concentrations, and varying nutrient availability.

Automated↗
DOE OSTI2021

Luminescence mechanism in hydrogenated silicon quantum dots with a single oxygen ligand

Though photoluminescence (PL) of Si quantum dots (QDs) has been known for decades and both theoretical and experimental studies have been extensive, their luminescence mechanism has not been elaborated. Several models have been proposed to explain the mechanism. A deep insight into the origin of light emissions in Si QDs is necessary. This work calculated the ground- and excited state properties of hydrogenated Si QDs with various diameters, including full hydrogen passivation, single Si=O ligands, single epoxide and coexisting Si=O and epoxide structures in order to investigate the dominant contribution states for luminescence. The results revealed that even a single oxygen atom in hydrogenated Si QDs can dramatically change their electronic and optical properties. Intriguingly, we found that a size-independent emission, the strongest among all possible emissions, was induced by the single Si=O passivated Si-QDs. In non-oxidized Si-QDs exhibiting a core-related size-tunable emission, the luminescence properties can be modulated by the ligands of Si QDs, and a very small number of oxygen ligands can strongly influence the luminescence of nanocrystalline silicon. Our findings deepen the understanding of the PL mechanism of Si QDs and can further promote the development of silicon-based optoelectronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1989

SINFAC simulation of a high-power hybrid CPL

The systems improved numerical fluids analysis code (SINFAC) was used to model a high-power hybrid capillary-pumped loop. A comparison was made between the simulation results and actual experimental test data for the mechanical-pump-assist mode of operation. The hybrid capillary-pumped loop consisted of a capillary-pumped loop with a mechanical pump in the liquid return line with a bypass value so that the system could be operated either as a capillary-only loop or a series hybrid loop. Excellent agreement was obtained between numerical and experimental data.

Benner, Steve M.↗
NASA NTRS1980

Control of the Earth's electric field intensity through solar wind modulation of galactic cosmic radiation: Support for a proposed atmospheric electrical sun-weather mechanism

The ionospheric potential and galactic cosmic radiation, found to be inversely correlated with the solar wind velocity are examined as being germane to weather modification. Since the ionospheric potential is proportional to the fair weather electric field intensity and cosmic radiation is the dominant source of atmospheric ionization, it is concluded that the Earth's overall electric field varies in phase with atmospheric ionization and that the latter is modulated by the solar wind. A proposed mechanism, in which solar control of ionizing radiation influences atmospheric electrification and thus possibly cloud physical processes is discussed. An experimental approach to critically test the proposed mechanism through comparison of the temporal variation of the Earth's electric field with conditions in the interplanetary medium is outlined.

Markson, R.↗
NASA NTRS2003

Nucleation Behavior of Oxygen-Acetylene Torch-Produced Diamond Films

A mechanism is presented for the nucleation of diamond in the combustion flame environment. A series of six experiments and two associated simulations provide results from which the mechanism was derived. A substantial portion of the prior literature was reviewed and the data and conclusions from the previous experimenters were found to support the proposed mechanism. The nucleation mechanism builds on the work of previous researchers but presents an approach to nucleation in a detail and direction not fully presented heretofore. This work identifies the gas phase as the controlling environment for the initial formation steps leading to nucleation. The developed mechanism explains some of the difficulty which has been found in producing single crystal epitaxial films. An experiment which modified the initial gas phase precursor using methane and carbon monoxide is presented. Addition of methane into the precursor gases was found to be responsible for pillaring of the films. Atomic force microscopy surface roughness data provides a reasonable look at suppression of nucleation by carbon monoxide. Surface finish data was taken on crystals which were open to the nucleation environment and generally parallel to the substrate surface. The test surfaces were measured as an independent measure of the instantaneous nucleation environent. A gas flow and substrate experiment changed the conditions on the surface of the sample by increasing the gas flow rate while remaining on a consistent point of the atomic constituent diagram, and by changing the carbide potential of the substrate. Two tip modification experiments looked at the behavior of gas phase nucleation by modifying the shape and behavior of the flame plasma in which the diamond nucleation is suspected to occur. Diamond nucleation and growth was additionally examined using a high-velocity oxygen fuel gun and C3H6 as the fuel gas phase precursor with addition of carbon monoxide gas 01 addition of liquid toluene.

Roberts, F. E.↗