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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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Chemical tuning of electronic and transport properties of the Bi–Se–Te family of topological insulators
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Comprehensive Assessment and Thermodynamic Modeling of the Pu-Ni system
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Phase stability, electronic, mechanical, lattice distortion, and thermal properties of complex refractory-based high entropy alloys TiVCrZrNbMoHfTaW with varying elemental ratios
This study examines the intricate area of refractory-based high entropy alloys (RHEAs), focusing on a series of complex compositions involving nine diverse refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W.
Cyclobutane-linked nanothreads through thermal and photochemically mediated polymerization of cyclohexadiene
We present the pressure-induced polymerization of 1,4-cyclohexadiene, wherein thermal methods may access multiple reaction pathways. In contrast, light enables solely cyclobutane-based nanothreads to arise from a single viable reaction pathway.
Bi-Assisted Double-Sided ZnO Nanorod Architectures for Fast and Geometry-Enhanced X-Ray Scintillation
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Mitigating SO2 Poisoning Effect in Electrochemical CO2 Reduction with Transition-Metal Single-Atom Molecular Catalysts
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Microswimmers under the spotlight: interplay between agents with different levels of activity
Using simulations and experiments, we propose a protocol for the programmable templated self-assembly of light-activated self-propelled particles. Additionally, we identify the scaling relations for the assembly's characteristic times.
Oxidant-assisted methane pyrolysis
Adding small amounts of CO 2 or H 2 O to methane pyrolysis boosts hydrogen and carbon yieldsviacyclic catalyst regeneration, enabling efficient low-carbon hydrogen and crystalline carbon production.
A Phenazine‐Based Two‐Dimensional Covalent Organic Framework for Photochemical CO 2 Reduction with Increased Selectivity for Two‐Carbon Products
Abstract The reduction of carbon dioxide (CO₂) into valuable products will contribute to sustainable carbon use. Here we report the photocatalytic reduction of CO₂ to carbon monoxide, formate, and oxalate ions using a redox‐active phenazine‐based 2D covalent organic framework (Phen‐COF) and its phenazine monomer. Under similar irradiation conditions,Phen‐COFproduced 2.9 times more CO, 11 times more formate, and 13 times more oxalate compared to equimolar amounts of the monomeric phenazine, demonstrating that the COF architecture enhances catalytic performance (TOF COF : 10 −7 s −1 CO, 10 −8 s −1 formate, and 10 −11 s −1 oxalate). Structural analysis, including X‐ray diffraction and N₂ porosimetry, confirmed the COF's long‐range order and porosity. Mechanistic studies suggest a sequential formate‐to‐oxalate pathway, with CO and formate acting as intermediates. These results demonstrate the potential of the COF architecture to improve the performance of metal‐free, redox‐active aromatic systems such as phenazines to facilitate efficient and selective CO₂ conversion under mild conditions.
Offshore Gulf of Mexico Partnership for Carbon Storage--Resources and Technology Development GoMCarb
Final report of the GoMCarb Partnership's scientific and technical results.
Regulable high-contrast mechanofluorochromic enhancement behaviour based on substituent effects
Four mechanofluorochromic (MFC) luminogenic materials were prepared and found to exhibit outstanding mechanically-induced emission enhancement (MIEE) by virtue of substituent and position effects. Such materials can be used in OLED devices.
Comprehensive analysis of ordering in CoCrNi and CrNi2 alloys
Not provided.
Incorporating solvent effects in DFT: insights from cation exchange in faujasites
Investigation of solvation effects emphasizes the importance of including explicit and implicit solvent for accurate DFT predictions on ion exchange.
The impact of chemistry on anion migration in bixbyite-structured lanthanide oxides
This manuscript describes atomistic calculations of oxygen vacancy and interstitial migration in bixbyite structured lanthanide oxides. We examine two types of compounds, one in which only one type of lanthanide cation is present and a second class in which two lanthanides are present in a 3:1 ratio as dictated by the symmetry of the bixbyite crystal structure. Using temperature accelerated dynamics and the nudged elastic band method, we quantify the role of chemistry on the energy barriers for the most important pathways for both vacancy and interstitial migration. We then analyze the impact of these variations on the overall diffusivity of each defect, quantifying the contribution of each pathway using the theory of kinosons. We find that vacancy mobility can vary by as much as three orders of magnitude through changes in chemistry at 500 K. Changes in interstitial mobility are more modest but can still vary by an order of magnitude. This points to the ability to tune the mass transport characteristics of these compounds through appropriate choices in chemistry. We have also included supplementary information containing the atomic structures of the relevant pathways.
An Updated SynthPop Model for Microlensing Simulations. I. Model Description and Evaluation
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In-situ thermo-mechano-chemical transformation and consolidation of Sm-Co powders via a single-step route for bulk magnet fabrication
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