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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Improved Mechanical Adhesion Enabled by Bilayer Hole Transport Layers in Perovskite Solar Cells

We investigate buried-interface mechanical integrity in metal-halide perovskite half-cells using carbazole-based self-assembled monolayers (SAMs) and bilayer hole transport layers composed of metal oxide underlayers and SAMs. Combining macroscopic and microscopic characterization, we quantify interfacial fracture energy (Gc) and identify delamination pathways. SAM deposition on NiOx increases Gc by approximately 10-fold compared with ITO, highlighting the importance of oxide underlayer selection. To isolate the effect of removing noncovalently bonded SAM molecules, we use vapor-deposited perovskite as a solvent-free model system, decoupling the rinse step inherent to solution processing. Removing loosely bound SAM molecules increases Gc from 0.94 +- 0.08 J.m-2 to 4.82 +- 0.79 J.m-2. These results show that oxide selection and SAM binding quality are both critical for strengthening buried interfaces and designing mechanically robust perovskite solar cells.

14 SOLAR ENERGY↗
DOE OSTI2025

Manufacturability and performance response of developed Ni-based alloys for reactor environments

Under the Advanced Materials and Manufacturing Technologies program, two Ni-based alloys fabricated by laser powder bed fusion (LPBF) at ORNL and laser powder directed energy deposition (LP-DED) at INL have been evaluated: γ′-strengthened Haynes 282 and solution-strengthened Inconel 625. Printing defects were observed in the LPBF 282 alloy fabricated using a Renishaw AM250 machine, likely due to particle spattering during printing. For both the LPBF and LP-DED 282 alloys, annealing at 1,180°C for 1 h resulted in partial recrystallization and a bimodal grain distribution, while subsequent aging for 4 h at 800°C led to the formation of a high density of nano size γ′-strengthening precipitates. Creep testing performed at 750°C revealed lower creep life and ductility for the LPBF and LP-DED 282 compared with wrought 282. X-ray computed tomography combined with optical and scanning electron microscopy microstructural characterization revealed crack formation in the LPBF 282 alloy during creep testing, initiated either from printing defects or from creep cavitation at grain boundaries. Creep cavitation and cracking at grain boundaries were also observed for the LP-DED 282 alloy, and optimization of the printing strategies and post heat treatments will be needed to fabricate high performance 282 components for high temperature nuclear applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1969

Method for the preparation of inorganic single crystal and polycrystalline electronic materials

Large area, semiconductor crystals selected from group 3-5 compounds and alloys are provided for semiconductor device fabrication by the use of a selective etching operation which completely removes the substrate on which the desired crystal was deposited. The substrate, selected from the same group as the single crystal, has a higher solution rate than the epitaxial single crystal which is essentially unaffected by the etching solution. The preparation of gallium phosphide single crystals using a gallium arsenide substrate and a concentrated nitric acid etching solution is described.

Groves, W. O.↗
NASA NTRS1987

Iterative solution of the multistream electron transport equation. I - Comparison with laboratory beam injection experiments

The Neumann iteration method presently used for solving the electron transport equation in which energy, attitude, and pitch angle are independent variables is fast, and can compute numerical point-response-function solutions of the electron transport equation. Because both the inelastic cross sections and angular elastic cross sections of the model are empirically based, the solutions obtained represent a test of compatibility between various sets of cross sections and energy deposition measurements. The use of a numerical quadrature based on analytic phase function forms yields accurate phase function integrals at low computational cost.

Porter, H. S.↗
NASA NTRS1990

Iron-sulfur mineralogy of Mars - Magmatic evolution and chemical weathering products

Models are developed for the magmatic evolution and the oxidative weathering of sulfide minerals on Mars, based on petrogenetic associations among komatiitic rock types, Viking geochemical data, SNC meteorites, and terrestrial Fi-Ni deposits. The weathering model was tested by exposing komatiitic pyrrhotites and olivines to sulfuric acid solutions, with or without dissolved ferric iron, and identifying the reaction products by Moessbauer spectroscopy. The results suggest that, on Mars, acidic groundwater has induced oxidative weathering of pyrrhotite, yielding FeS2 and then FeOOH.

Burns, Roger G.↗
NASA NTRS1994

Origin of tektites

The origin of tektites has been obscure because of the following dilemma. The application of physical principles to the data available on tektites points strongly to origin from one or more lunar volcanoes; but few glasses of tektite composition have hitherto been reported from the lunar samples. Instead, the lunar silicic glasses consist chiefly of a material very rich in K2O and poor in MgO. The ratio of K2O/MgO is higher in these glasses than in any tektites reported. The solution of the dilemma seems to come from the study of some recently discovered terrestrial deposits of tektite glass with high values of K2O/MgO at the Cretaceous Tertiary boundary. These glasses are found to be very vulnerable to crystallization into sandine or to alteration to smectite. These end products are known and are more abundant than any terrestrial deposits of tektite glass. It seems possible that, in fact, the moon produces tektite glass, mostly of the high K2O-low MgO type; but on Earth these deposits are destroyed. The much less abundant deposits with lower K and higher Mg are observed because they survive. Other objections to the lunar origin hypothesis appear to be answerable.

O'Keefe, John A.↗
NASA NTRS2003

Crystalline Li(sub 3)PO(sub 4)/SiO(sub 4) solid solutions as an electrolyte for film batteries using sputtered cathode layers

Crystalline solid solutions of 1:1 Li3PO4/SiO4 were synthesized and tested electrochemically using thin film, physical vapor deposited electrodes. After cathode deposition, the electrolyte/cathode structures were annealed at 700 degrees Celsius for 2 hours, a process that resulted in cathode crystallization without encouraging deleterious interfacial reactions. Results indicate that the electrolyte functioned well in this configuration.

film battery↗
DOE OSTI2020

Deposition Behavior of Supersaturated Silicic Acid on the Surfaces of Chlorite and Sericite around Geological Repository - 20138

Around the repository for HLW underground, cementitious materials used for the repository may complicate the migration of radionuclides in the host rock by the alteration of groundwater to a high alkaline condition. Specially, the alkaline groundwater dissolves silicate minerals of host rocks but the plenty of silicic acid dissolved from host rocks in groundwater will become supersaturated and deposit on the surface of flow-paths after decreasing the pH value to about 8 with dispersion and dilution. The deposition of silicic acid is presumed to recover and improve the barrier performance of host rocks for the radionuclide migration because of the narrowing of flow paths and the decrease of the permeability. In this study, the deposition behavior of supersaturated silicic acid was examined by the deposition experiments and the deposition rate constants, k [m/s], were evaluated from the experimental data. As the minerals of the surface of flow-paths, this study focused on chlorite and sericite, hydrothermally-altered minerals distributed to fill fractures of granite. In the experiments, deposition behavior of silicic acid on the powder of chlorite or sericite was observed after the pH of the solution was adjusted to 8 in order to make the silicic acid supersaturated. The solution of CaCl{sub 2} and NaCl were added into a silicic acid to simulate Ca{sup 2+} from the cementitious materials of the repository, Na{sup +} of the saline groundwater in Japan. From the results, the value of k was estimated to be about the order of 10{sup -10}∼10{sup -9} m/s for both chlorite and sericite and the value was almost the same as those for amorphous silica in the previous study. Therefore, the deposition of silicic acid may be assessed by similar apparent deposition rate constants even in actual underground containing various silicate minerals. Moreover, the Damkoehler number which is the dimensionless number expressed by the ratio of characteristic time of mass transfer and chemical reaction was calculated to be 10{sup 4} or more from the value of k. This value shows that the deposition reaction of silicic acid was estimated as much more predominant than the groundwater flow under the situation simulated in this study. These results suggest that the deposition of supersaturated silicic acid on the flow paths composed with various silicate minerals will be able to retard the migration of radionuclides because of narrowing micro flow-paths. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Calcium-organic matter fouling in nanofiltration: Synchrotron-based X-ray fluorescence and absorption near-edge structure spectroscopy for speciation

Calcium (Ca)-enhanced organic matter (OM) fouling of nanofiltration (NF) membranes leads to reduced flux during desalination and requires frequent cleaning. Fouling mechanisms are not fully understood, which limits the development of targeted fouling control methods. This study employed synchrotron-based X-ray fluorescence (XRF) and X-ray absorption near-edge structure (XANES) spectroscopy to quantify the spatial distribution and mass of Ca deposition as well as changes in the Ca coordination environment characteristic of specific fouling mechanisms, respectively. Bench-scale filtration experiments were performed using feed solutions containing Ca and ten different types of organic matter (OM), as well as the common scalants, calcium carbonate (CaCO 3 ) and calcium sulfate (CaSO 4 ). Osmotic backwash (OB) was performed at regular intervals for fouling control. Ca-OM aggregation resulted in greater flux decline and lower flux recovery during OB than Ca conditioning of membranes followed by filtration of feed solution with OM. Linear combination fitting (LCF) of XANES absorption spectra from fouled membranes indicated that Ca-OM aggregation preferentially occurred for OM types that exhibited both high carboxylic group and negative charge density. Consequently, these OM types exhibited greater deposition of Ca and TOC on the membrane surface when compared to other OM types. For the coexistence of scalants and OM, Ca speciation within the fouling layer was characteristic of both Ca bound to the membrane (i.e. potential bridging, charge screening) as well as Ca-OM aggregation and deposition mechanisms, while a range of crystal polymorphs were observed to occur simultaneously. XRF and XANES represent powerful tools for the elucidation of NF fouling mechanisms by quantification of Ca deposition as well as Ca speciation. Fouling control methods should target OM types with high carboxyl group density and negative charge to neutralize or eliminate interactions with Ca.

42 ENGINEERING↗
NASA NTRS1995

Modification of Experimental Protocols for a Space Shuttle Flight and Applications for the Analysis of Cytoskeletal Structures During Fertilization, Cell Division , and Development in Sea Urchin Embryos

To explore the role of microgravity on cytoskeletal organization and skeletal calcium deposition during fertilization, cell division, and early development, the sea urchin was chosen as a model developmental system. Methods were developed to employ light, immunofluorescence, and electron microscopy on cultures being prepared for flight on the Space Shuttle. For analysis of microfilaments, microtubules, centrosomes, and calcium-requiring events, our standard laboratory protocols had to be modified substantially for experimentation on the Space Shuttle. All manipulations were carried out in a closed culture chamber containing 35 ml artificial sea water as a culture fluid. Unfertilized eggs stored for 24 hours in these chambers were fertilized with sperm diluted in sea water and fixed with concentrated fixatives for final fixation in formaldehyde, taxol, EGTA, and MgCl2(exp -6)H2O for 1 cell to 16 cell stages to preserve cytoskeletal structures for simultaneous analysis with light, immunofluorescence, and electron microscopy, and 1.5 percent glutaraldehyde and 0.4 percent formaldehyde for blastula and plueus stages. The fixed samples wre maintained in chambers without degradation for up to two weeks after which the specimens were processed and analyzed with routine methods. Since complex manipulations are not possible in the closed chambers, the fertilization coat was removed from fixation using 0.5 percent freshly prepared sodium thioglycolate solution at pH 10.0 which provided reliable immunofluorescence staining for microtubules. Sperm/egg fusion, mitosis, cytokinesis, and calcium deposition during spicule formatin in early embryogenesis were found to be without artificial alterations when compared to cells fixed fresh and processed with conventional methods.

Chakrabarti, Amitabha↗
NASA NTRS1994

A study of Type I polar stratospheric cloud formation

Mechanisms for the formation of Type I (nitric acid-based) polar stratospheric clouds (PSCs) are discussed. If the pre-existing sulfate aerosols are liquid prior to PSC formation, then nitric acid particles (Type Ib) form by HNO3 dissolution in aqueous H2SO4 solution droplets. This process does not require a nucleation step for the formation of HNO3 aerosols, so most pre-existing aerosols grow to become relatively small HNO3-containing particles. At significantly lower temperatures, the resulting supercooled solutions (Type Ib) may freeze to form HNO3 ice particles (Type Ia). If the pre-existing sulfate aerosols are initially solid before PSC formation, then HNO3 vapor can be deposited directly on the frozen sulfate particles. However, because an energy barrier to the condensation exists a nucleation mechanism is involved. Here, we suggest a unique nucleation mechanism that involves formation of HNO3/H20 solutions on the sulfate ice particles. These nucleation processes may be highly selective, resulting in the formation of relatively small number of large particles.

Tabazadeh, A.↗
DOE OSTI2021

Unnamed Pt(Cu 0.67 Sn 0.33 ) from the Bolshoy Khailyk River, Western Sayans, Russia, and a Review of Related Compounds and Solid Solutions

We describe a potentially new species of a platinum cupride–stannide mineral (PCSM) of composition Pt(Cu 0.67 Sn 0.33 ). It occurs in a placer deposit in the River Bolshoy Khailyk, southern Krasnoyarskiy kray, Russia. A synthetic equivalent of PCSM was obtained and characterized. The PCSM occurs as anhedral or subhedral grains up to 15 μm × 30 μm in association with various platinum-group minerals, Rh–Co-rich pentlandite and magnetite, all hosted by a placer grain of Cu–Au–Pt alloy. Synchrotron micro-Laue diffraction studies indicate that the PCSM mineral is tetragonal and belongs to the inferred space-group P4/mmm (#123). Its unit-cell parameters are a = 2.838 (3) Å, c = 3.650 (4) Å, and V = 29.40 (10) Å 3 , and Z = 1. The c:a ratio calculated from the unit-cell parameters is 1.286. These characteristics are in good agreement with those obtained for specimens of synthetic Pt(Cu 0.67 Sn 0.33 ). A review on related minerals and unnamed phases is provided to outline compositional variations and extents of solid solutions in the relevant systems PtNi–PtFe–PtCu, PdCu–PdHg–PdAu, PdHg–PtHg, and AuCu–PtCu. The PCSM-bearing mineralization appears to be related genetically with an ophiolitic source-rock of the Aktovrakskiy complex of the western Sayans. The unnamed phase likely crystallized from microvolumes of a highly fractionated melt rich in Cu and Sn.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Synthesizing Diamond from Liquid Feedstock

A relatively economical method of chemical vapor deposition (CVD) has been developed for synthesizing diamond crystals and films. Unlike prior CVD methods for synthesizing diamond, this method does not require precisely proportioned flows of compressed gas feedstocks or the use of electrical discharges to decompose the feedstocks to obtain free radicals needed for deposition chemical reactions. Instead, the feedstocks used in this method are mixtures of common organic liquids that can be prepared in advance, and decomposition of feedstock vapors is effected simply by heating. The feedstock used in this method is a solution comprising between 90 and 99 weight percent of methanol and the balance of one or more other oxyhydrocarbons that could include ethanol, isopropanol, and/or acetone. This mixture of compounds is chosen so that dissociation of molecules results in the desired proportions of carbon-containing radicals (principally, CH3) and of OH, H, and O radicals. Undesirably, the CVD temperature and pressure conditions thermodynamically favor the growth of graphite over the growth of diamond. The H radicals are desirable because they help to stabilize the growing surface of diamond by shifting the thermodynamic balance toward favoring the growth of diamond. The OH and O radicals are desirable because they preferentially etch graphite and other non-diamond carbon, thereby helping to ensure the net deposition of pure diamond. The non-methanol compounds are included in the solution because (1) methanol contains equal numbers of C and O atoms; (2) an excess of C over O is needed to obtain net deposition of diamond; and (3) the non-methanol molecules contain multiple carbon atoms for each oxygen atom and thus supply the needed excess carbon A typical apparatus used in this method includes a reservoir containing the feedstock liquid and a partially evacuated stainless-steel reaction chamber. The reservoir is connected to the chamber via tubing and a needle valve or other suitable flow controller. When the liquid enters the low-pressure environment inside the chamber, it evaporates to form a vapor mixture of the same chemical composition. In addition to the inlet for the feedstock liquid, the chamber is fitted with an outlet connected to a vacuum pump (not shown) through a throttle valve (also not shown) that is automatically controlled to keep the pressure at or near the required value throughout the deposition process. Inside the chamber, a spiral filament made of tungsten, tantalum, graphite, or other high-melting-temperature material is electrically heated to a temperature >2,000 C high enough to cause dissociation of vapor molecules into the aforementioned radicals. A deposition substrate typically, a diamond-polished silicon wafer about 2.5 cm square is positioned about 2 cm away from the filament. The exact location of the substrate is chosen so that the substrate becomes heated by the filament to a deposition temperature in the approximate range of 800 to 1,000 C.

Tzeng, Yonhua↗
DOE OSTI2022

Controlled Growth and Chemical Engineering of FeSe‐Based Superconducting Films

Abstract Chemical engineering tailors functional materials to meet the demands of physical and chemical properties, accelerating materials discovery and design in a multidisciplinary field. However, stereotyped synthetic paradigms in physical and chemical approaches obstruct the effective integration of multiple advantages of respective materials exploration methods. Solid state reaction is often considered separately with wet chemistry synthesis route, such as film growth using physical vapor deposition and hydrothermal methods. Here, the controlled growth of FeSe thin films by physical deposition techniques followed by the chemical engineering to create heterogenous interface in FeSe films via a solution‐based environment is demonstrated. The two‐step route allows an expanded crystal structure and enhanced superconducting transition temperature from 3.6 to 38 K, providing a new strategy to design functional hybrid materials.

Huang, Yulong↗
DOE OSTI2025

Molecular insights into Yb(III) speciation in sulfate-bearing hydrothermal fluids from X-ray absorption spectra informed by ab initio molecular dynamics

Rare earth elements (REEs) are critical for advanced technologies, yet in hydrothermal aqueous solutions the molecular level details of their interaction with ligands that control their geochemical transport and deposition remain poorly understood. Here, this study elucidates the coordination behavior of Yb 3+ in sulfate-rich hydrothermal fluids using in situ extended X-ray absorption fine structure (EXAFS) spectroscopy and ab initio molecular dynamics (AIMD) simulations. By integrating multi-angle EXAFS with AIMD-derived constraints, we precisely resolve Yb 3+ coordination structures and ligand interactions under hydrothermal conditions. At room temperature, Yb 3+ is coordinated by five water molecules and two sulfate ligands (coordination number, CN = 8), forming a distorted square antiprism geometry. Increasing temperature induces progressive dehydration, reducing the hydration shell and favoring stronger sulfate complexation. At 200°C, sulfate ligands reorganize around Yb 3+ , shifting its geometry to a capped octahedron (CN = 7). At 300 °C, sulfate binding dominates, leading to structural reorganization that parallels the onset of sulfate mineral precipitation, consistent with the retrograde solubility of REE sulfates. These findings provide direct molecular-scale evidence that sulfate acts as both a transport and deposition ligand, critically influencing REE mobility in geochemical environments. Our results can also help to refine thermodynamic models of REE speciation in high-temperature hydrothermal fluids and improve our understanding of REE ore formation processes in nature.

AIMD↗