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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Constructing Water‐Stable Porous Organic Salts via Suppressed Proton Integration Using Fluorinated Tetrazole Tectons

Porous organic salts (POSs) are an emerging class of materials with ordered ionic architectures, offering excellent proton transfer and water uptake properties. However, conventional POS synthesis via strong acid–base neutralization (e.g., ─SO₃H and ─NH₂) leads to extensive hydrogen bonding with water, compromising stability in aqueous and water-lean environments. Here, we address this challenge by designing POSs with hydrophobic porous channels and minimal hydrogen bonding formation. Our key innovation is the use of fluorinated tetrazole as a weak acid tecton and a tetra-substituted imidazole precursor devoid of active protons as the base. Single-crystal analysis and computational modeling reveal that the structural integrity of the synthesized POSs arises primarily from cation–anion interactions, with water confined as clusters in the pores, independent of hydrogen bonding with the scaffold. Robustness of the POS structure under aqueous and water-lean conditions is confirmed by X-ray and neutron scattering, as well as computational modeling, confirming preserved packing and crystal structures. The stability of POS is further demonstrated in aqueous iodine capture, with imidazolium cations and C–F functionalizations serving as strong adsorption sites. As a result, the approach developed herein further pushes the boundary of POS materials to withstand both aqueous and water-lean conditions.

Fluorinated tecton↗
DOE OSTI2021

Effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica

Here, we present a combined molecular dynamics (MD) simulation and X-ray absorption fine structure (XAFS) spectroscopic investigation of aqueous iron adsorption on nanoconfined amorphous silica surfaces. The simulation models examine the effects of pore size, pH (surface charge), iron valency, and counter-ion (chloride or hydroxide). The simulation methods were validated by comparing the coordination environment of adsorbed iron with coordination numbers and bond lengths derived from XAFS. In the MD models, nanoconfinement effects on local iron coordination were investigated by comparing results for unconfined silica surfaces and in confined domains within 2 nm, 4 nm, and 8 nm pores. Experimentally, coordination environments of iron adsorbed onto mesoporous silica with 4 nm and 8 nm pores at pH 7.5 were investigated. The effect of pH in the MD models was included by simulating Fe(II) adsorption onto negatively charged SiO 2 surfaces and Fe(III) adsorption on neutral surfaces. The simulation results show that iron adsorption depends significantly on silica surface charge, as expected based on electrostatic interactions. Adsorption on a negatively charged surface is an order of magnitude greater than on the neutral surface, and simulated surface coverages are consistent with experimental results. Pore size effects from the MD simulations were most notable in the adsorption of Fe(II) at deprotonated surface sites (SiO - ), but adsorption trends varied with concentration and aqueous Fe speciation. The coordination environment of adsorbed iron varied significantly with the type of anion. Considerable ion pairing with hydroxide anions led to the formation of oligomeric surface complexes and aqueous species, resulting in larger iron hydroxide clusters at higher surface loadings.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Development and Performance Evaluations of HfO2-Si and Rare Earth-Si Based Environmental Barrier Bond Coat Systems for SiC/SiC Ceramic Matrix Composites

Ceramic environmental barrier coatings (EBC) and SiCSiC ceramic matrix composites (CMCs) will play a crucial role in future aircraft propulsion systems because of their ability to significantly increase engine operating temperatures, improve component durability, reduce engine weight and cooling requirements. Advanced EBC systems for SiCSiC CMC turbine and combustor hot section components are currently being developed to meet future turbine engine emission and performance goals. One of the significant material development challenges for the high temperature CMC components is to develop prime-reliant, high strength and high temperature capable environmental barrier coating bond coat systems, since the current silicon bond coat cannot meet the advanced EBC-CMC temperature and stability requirements. In this paper, advanced NASA HfO2-Si based EBC bond coat systems for SiCSiC CMC combustor and turbine airfoil applications are investigated. The coating design approach and stability requirements are specifically emphasized, with the development and implementation focusing on Plasma Sprayed (PS) and Electron Beam-Physic Vapor Deposited (EB-PVD) coating systems and the composition optimizations. High temperature properties of the HfO2-Si based bond coat systems, including the strength, fracture toughness, creep resistance, and oxidation resistance were evaluated in the temperature range of 1200 to 1500 C. Thermal gradient heat flux low cycle fatigue and furnace cyclic oxidation durability tests were also performed at temperatures up to 1500 C. The coating strength improvements, degradation and failure modes of the environmental barrier coating bond coat systems on SiCSiC CMCs tested in simulated stress-environment interactions are briefly discussed and supported by modeling. The performance enhancements of the HfO2-Si bond coat systems with rare earth element dopants and rare earth-silicon based bond coats are also highlighted. The advanced bond coat systems, when integrated with advanced EBC top coats, showed promise to achieve 1500 C temperature capability, helping enable next generation turbine engines with significantly improved engine component temperature capability and long-term durability.

HfO2-Si bond coat↗
NASA NTRS1996

Technique to Predict Ultraviolet Radiation Embrittlement of Polymers in Space

In the low-Earth-orbit environment, solar ultraviolet (UV) radiation embrittles polymer materials through bond breaking and crosslinking. This UV embrittlement increases the surface hardness of the polymer. Before the durability of polymer materials in the low- Earth-orbit environment can be predicted, the extent of UV embrittlement needs to be determined. However, traditional techniques for measuring the microhardness of materials cannot be employed to measure changes in the hardness of UV-embrittled surfaces because traditional techniques measure bulk hardness and are not sensitive enough to surface changes. A unique technique was used at the NASA Lewis Research Center to quantify polymer surface damage that had been induced by UV radiation. The technique uses an atomic force microscope (AFM) to measure surface microhardness. An atomic force microscope measures the repulsive forces between the atoms in a microscopic cantilevered tip and the atoms on the surface of a sample. Typically, an atomic force microscope produces a topographic image of a surface by monitoring the movement of the tip over features of the surface. The force applied to the cantilevered tip, and the indention of the tip into the surface, can be measured. The relationship between force and distance of indentation, the quantity force/distance (newtons/meter), provides a measure of the surface hardness. Under identical operating conditions, direct comparisons of surface hardness values can be made.

Source record↗
DOE OSTI2021

Isolated copper–tin atomic interfaces tuning electrocatalytic CO 2 conversion

Direct experimental observations of the interface structure can provide vital insights into heterogeneous catalysis. Examples of interface design based on single atom and surface science are, however, extremely rare. Here, we report Cu–Sn single-atom surface alloys, where isolated Sn sites with high surface densities (up to 8%) are anchored on the Cu host, for efficient electrocatalytic CO 2 reduction. The unique geometric and electronic structure of the Cu–Sn surface alloys (Cu 97 Sn 3 and Cu 99 Sn 1 ) enables distinct catalytic selectivity from pure Cu 100 and Cu 70 Sn 30 bulk alloy. The Cu 97 Sn 3 catalyst achieves a CO Faradaic efficiency of 98% at a tiny overpotential of 30 mV in an alkaline flow cell, where a high CO current density of 100 mA cm –2 is obtained at an overpotential of 340 mV. Density functional theory simulation reveals that it is not only the elemental composition that dictates the electrocatalytic reactivity of Cu–Sn alloys; the local coordination environment of atomically dispersed, isolated Cu–Sn bonding plays the most critical role.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evidence of a coupled electron-phonon liquid in NbGe 2

Whereas electron-phonon scattering relaxes the electron’s momentum in metals, a perpetual exchange of momentum between phonons and electrons may conserve total momentum and lead to a coupled electron-phonon liquid. Such a phase of matter could be a platform for observing electron hydrodynamics. Here we present evidence of an electron-phonon liquid in the transition metal ditetrelide, NbGe 2 , from three different experiments. First, quantum oscillations reveal an enhanced quasiparticle mass, which is unexpected in NbGe 2 with weak electron-electron correlations, hence pointing at electron-phonon interactions. Second, resistivity measurements exhibit a discrepancy between the experimental data and standard Fermi liquid calculations. Third, Raman scattering shows anomalous temperature dependences of the phonon linewidths that fit an empirical model based on phonon-electron coupling. We discuss structural factors, such as chiral symmetry, short metallic bonds, and a low-symmetry coordination environment as potential design principles for materials with coupled electron-phonon liquid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Single-molecule infrared spectroscopy with scanning tunneling microscopy

Probing vibrations at the single-molecule level is essential for achieving bond-specific chemical control in realistic heterogeneous environments. Here, we introduce a new measurement scheme that integrates frequency-tunable infrared excitation with scanning tunneling microscopy to characterize vibration-mediated nuclear motions of single molecules. We first validated the technique by monitoring the infrared-induced rotation of the ethynyl radical and then applied it to mapping pyrrolidine’s conformational dynamics. The resulting broadband spectra captured fundamental vibrational modes together with rich overtone and combination bands inaccessible by conventional methods, which we confirmed with isotopic substitutions. Density functional theory calculations showed that delocalized modes coupled with pyrrolidine ring puckering drive the structural transition, revealing altered selection rules compared with traditional infrared spectroscopy. Here, this new experimental platform enables molecular vibrations and transformations to be probed with atomic precision.

Liang, Kangkai [University of California, San Dieg↗
DOE OSTI2023

Development, Testing, and Validation of Fabry-Pérot Cavity Acoustic Sensors for Microreactor Applications

Nuclear microreactors are a unique reactor design which may allow for the nuclear energy industry to tap into unconventional markets, and their modularity presents some advantages over larger, conventional reactor designs. For nuclear microreactors to be economically viable, on-line structural health monitoring may be necessary to reduce operation and maintenance costs with lower power production. Optical fiber sensors, and specifically optical Fabry-Pérot cavities (FPCs), may present the opportunity to monitor vibrational frequencies of microreactor components during operation, enabling identification of the location and severity of potential damage. In this work, FPCs were designed and fabricated with materials which may be able to survive in the extremely harsh environment of nuclear microreactors. The FPCs were bonded to metal test specimens to monitor their vibrational frequencies, along with a reference piezoelectric accelerometer. Euler-Bernoulli theory was used to calculate the fundamental modes and mode-shapes to compare with experimentally measured frequency spectra. The peak frequencies detected with the FPC and piezoelectric accelerometer, and theoretical modes, all agreed well for the first four fundamental modes (within 5%). Furthermore, when the FPC and accelerometer were co-located on the test specimen, their peak frequencies all agreed within 1%.

Birri, Tony↗
NASA NTRS1972

Liquid inflow to initially empty cylindrical tanks in low gravity

An experimental investigation was performed to determine the characteristics of liquid inflow to initially empty cylindrical tanks in a low gravity environment. The acceleration was varied so that Bond numbers based on the inlet radius varied from 0.059 to 2.80. The liquid entered the tank as a jet that grew to a maximum height and then decreased in height with respect to the bottom of the tank, with the liquid from the jet collecting in the bottom of the tank. The maximum jet heights were correlated in terms of the Weber number and the Bond number.

Spuckler, C. M.↗
NASA NTRS1975

Compartmentalization of amino acids in surfactant aggregates - Partitioning between water and aqueous micellar sodium dodecanoate and between hexane and dodecylammonium propionate trapped water in hexane

The partitioning of amino acids (glycine, alanine, leucine, phenylalanine, histidine, aspartic acid, glutamic acid, lysine, isoleucine, threonine, serine, valine, proline, arginine) in aqueous and nonaqueous micellar systems was studied experimentally. Partitioning from neat hexane into dodecylammonium propionate trapped water in hexane was found to be dependent on both electrostatic and hydrophobic interactions, which implies that the interior of dodecylammonium propionate aggregates is negatively charged and is capable of hydrogen bonding in addition to providing a hydrophobic environment. Unitary free energies of transfer of amino acid side chains from hexane to water were determined and solubilities of amino acids in neat hexane substantiated the amino acid hydrophobicity scale. The relevance of the experiments to prebiotic chemistry was examined.

Fendler, J. H.↗
NASA NTRS1998

Reusable Cryogenic Tank VHM Using Fiber Optic Distributed Sensing Technology

The reusable oxygen and hydrogen tanks are key systems for both the X-33 (sub-scale, sub-orbital technology demonstrator) and the commercial Reusable Launch Vehicle (RLV). The backbone of the X-33 Reusable Cryogenic Tank Vehicle Health Management (VHM) system lies in the optical network of distributed strain temperature and hydrogen sensors. This network of fiber sensors will create a global strain and temperature map for monitoring the health of the tank structure, cryogenic insulation, and Thermal Protection System. Lockheed Martin (Sanders and LMMSS) and NASA Langley have developed this sensor technology for the X-33 and have addressed several technical issues such as fiber bonding and laser performance in this harsh environment.

Bodan-Sanders, Patricia↗
NASA NTRS2007

Alignment and Integration Techniques for Mirror Segment Pairs on the Constellation X Telescope

We present the concepts behind current alignment and integration techniques for testing a Constellation-X primary-secondary mirror segment pair in an x-ray beam line test. We examine the effects of a passive mount on thin glass x-ray mirror segments, and the issues of mount shape and environment on alignment. We also investigate how bonding and transfer to a permanent housing affects the quality of the final image, comparing predicted results to a full x-ray test on a primary secondary pair.

Hadjimichael, Theo↗
DOE OSTI2024

Exploring the Structural Behavior of Hydrophilic Diglycolamide Complexes with the Lanthanides and Actinides

In the ongoing effort to meet the anticipated rise in energy demand while maintaining the full-scale abandonment of natural gas and coal, a substantial shift in our considerations of green energy is required through the wider adoption of nuclear power. However, the advantages of nuclear power are hindered by the challenges of safely managing nuclear waste. Hydrophilic diglycolamides (DGA) ligands have been explored for use as stripping agents in various lanthanide and actinide partitioning processes. Additionally, the separation of lanthanide fission products and transplutonic actinides can serve multifaceted advantages in that the separation neutron poisoning rare earth element (REE) fission products from minor actinides from used nuclear fuel (UNF) can be mutually beneficial to the fundamental research behind REE separations and UNF separations. With this in mind, understanding the bonding differences between the Ln3+ and An3+ ions as a function of DGA structure, such as varying the alkyl groups on each of the amide functional groups, has an influence on the molecule’s selectivity and solubility and whose changes in molecular architecture also impact the radiolytic behavior of these molecules. As such, crystal structures of (Y3+, La-Lu3+, excl. Pm, Pu3+/4+, Am3+, Bk3+, and Cf3+) with hydrophilic diglycolamides show the systematic progression, and changes in coordination habits, as a function of a f-element ions. These coordination complexes see a consistent decrease in bond lengths and changes in the coordination environment while traversing across the f-elements, owing to the effects of the lanthanide contraction as well as local geometry around the metal centers. Direct comparisons of lanthanide with actinide DGA structures display both striking similarities in coordination with earlier actinides of Pu and Am, while later actinides of Bk and Cf display a complete breakdown of these observed trends. This work has also presented the rare opportunity to study homoleptic DGA compounds across multiple oxidation states have provided insight into their nuanced differences in structural chemistry.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2006

Effect of High Temperature Storage in Vacuum, Air, and Humid Conditions on Degradation of Gold/Aluminum Wire Bonds in PEMs

Microcircuits encapsulated in three plastic package styles were stored in different environments at temperatures varying from 130 C to 225 C for up to 4,000 hours in some cases. To assess the effect of oxygen, the parts were aged at high temperatures in air and in vacuum chambers. The effect of humidity was evaluated during long-term highly accelerated temperature and humidity stress testing (HAST) at temperatures of 130 C and 150 C. High temperature storage testing of decapsulated microcircuits in air, vacuum, and HAST chambers was carried out to evaluate the role of molding compounds in the environmentally-induced degradation and failure of wire bonds (WB). This paper reports on accelerating factors of environment and molding compound on WB failures. It has been shown that all environments, including oxygen, moisture, and the presence of molding compounds reduce time-to-failures compared to unencapsulated devices in vacuum conditions. The mechanism of the environmental effect on KB degradation is discussed.

Teverovsky, Alexander↗
DOE OSTI2025

Flash Communication: Flexibility of a Biologically Inspired Ligand Framework for Intramolecular C–H Activation

High-valent iron complexes play a crucial role in the oxidation of organic substrates, especially in C–H bond functionalization reactions in biology. This paper investigates the reactivity of nonporphyrin tripodal ligands featuring a secondary coordination sphere, focusing on their prospective ability to stabilize high-valent iron-oxo species. Using NMR spectroscopy and X-ray crystallography, we detail the formation of an Fe(III)-alkoxide complex through intramolecular C–H bond activation, providing insight into the potential transient formation of a high-valent iron-oxo intermediate. While attempts to observe an Fe(IV)-oxo complex were unsuccessful, our findings underscore the significance of the ligand electronic environment in stabilizing reactive iron species for C–H bond activation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2009

Boundary Layer Transition Protuberance Tests at NASA JSC Arc-Jet Facility

A series of arc-jet tests in support of the Shuttle Orbiter Boundary Layer Transition flight experiment was conducted in the Channel Nozzle of the NASA Johnson Space Center Atmospheric Reentry Materials and Structures Facility. The boundary layer trip was a protrusion of a certain height and geometry fabricated as part of a 6"x6" tile insert, a special test article made of the Boeing Rigid Insulation tile material and coated with the Reaction Cured Glass used for the bottom fuselage tiles of the Space Shuttle Orbiter. A total of five such tile inserts were manufactured: four with the 0.25-in. trip height, and one with the 0.35-in. trip height. The tile inserts were interchangeably installed in the center of the 24"x24" variable configuration tile array mounted in the 24"x24" test section of the channel nozzle. The objectives of the test series were to demonstrate that the boundary layer trip can safely withstand the Space Shuttle Orbiter flight-like re-entry environments and provide temperature data on the protrusion surface, surfaces of the nearby tiles upstream and downstream of the trip, as well as the bond line between the tiles and the structure. The targeted test environments were defined for the tip of the protrusion, away from the nominal surface of the tile array. The arc jet test conditions were approximated in order to produce the levels of the free stream total enthalpy at the protrusion height similar to those expected in flight. The test articles were instrumented with surface, sidewall and bond line thermocouples. Additionally, Tempilaq temperature-indicating paint was applied to the nominal tiles of the tile array in locations not interfering with the protrusion trip. Five different grades of paint were used that disintegrate at different temperatures between 1500 and 2000 deg F. The intent of using the paint was to gauge the RCG-coated tile surface temperature, as well as determine its usefulness for a flight experiment. This paper provides an overview of the channel nozzle arc jet, test articles and test conditions, as well as the results of the arc-jet tests including the measured temperature response of the test articles, their pre- and post-test surface scans, condition of the thermal paint, and continents on the protrusion tip heating achieved in tests compared to the computational fluid dynamics predictions.

Larin, M. E.↗