Search NASA⌕ Search

SEARCH · Search NASA

Results for “METALS - TEMPERATURES, HIGH”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

First-principles calculation of Hubbard U for Terbium metal under high pressure

Abstract Using density functional theory (DFT) and linear response approaches, we compute the on-site Hubbard interaction U of elemental Terbium (Tb) metal in the pressure range ∼ 0–65 GPa. The resulting first-principles U values with experimental crystal structures enable us to examine the magnetic properties of Tb using a DFT+U method. The lowest-energy magnetic states in our calculations for different high-pressure Tb phases—including hcp, α -Sm, and dhcp—are found to be compatible with the corresponding magnetic ordering vectors reported in experiments. The result shows that the inclusion of Hubbard U substantially improves the accuracy and efficiency in modeling correlated rare-earth materials. Our study also provides the necessary U information for other quantum many-body techniques to study Tb under extreme pressure conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Reticular Chemistry for Highly Porous Metal–Organic Frameworks: The Chemistry and Applications

Current global crises related to clean energy and the environment entail the development of materials that are capable of addressing these challenges. Metal–organic frameworks (MOFs), a class of functional materials assembled from metal-containing nodes and organic ligands via coordination bonds, have been successfully developed for various applications, including catalysis, toxic chemical removal, and gas storage and separation, as a result of their highly tailorable nature and precisely engineered pore structures. In particular, the exceptionally high surface areas and porosities of MOFs are two of their most attractive characteristics and place them among the best porous materials for the storage of clean energy gases, such as hydrogen and methane. Reticular chemistry stands out as a prominent approach to the design of MOFs as this strategy allows for the rational top-down design of frameworks guided by topological nets to afford extended framework structures with precise architectural arrangements at the molecular level. Furthermore, bridging the gap between reticular chemistry design strategies and highly porous MOFs can facilitate the development of next-generation high-performance materials through state-of-the-art chemical design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Enhancing particle-to-sCO2 heat exchanger effectiveness through novel high-porosity metallic foams

In this project, a novel concept of Octet-shape based lattice frame material was developed for deployment in particle-to-sCO2 heat exchangers for CSP application. A comprehensive experimental and numerical program was performed to investigate and characterize the thermal and flow transport behavior in high porosity lattice frame material. The thermal properties include effective thermal conductivity and interstitial heat transfer coefficient and flow properties including permeability and inertial coefficient. Above quantities were determined for both air flow and heated particle flow through the porous channels which were representative of the hot channel in a typical counter flow heat exchanger. The cold side of the heat exchanger feature minichannels which are known to be very efficient in thermal transport. The goal of this project was to enhance the overall heat transfer coefficient (Up) on the hot side by introducing Octet-shape based lattice frame material through enhancement in effective thermal conductivity of the channel and through enhancement in the interstitial heat transfer coefficient.

14 SOLAR ENERGY↗
DOE OSTI2025

Highly textured metal anodes for stable aqueous batteries: Fabrication and characterization

We report a purely mechanical “cold-compression flow” method for fabricating Zn, Sn, and In substrates with tunable crystallographic textures. Using textured Zn as a model system, we investigate Zn electrocrystallization and demonstrate correlated growth of crystalline films with correlation lengths from tens to hundreds of micrometers. At 5 milliamperes per square centimeter (mA/cm 2 ), capacities between 20 and 82 milliampere hours per square centimeter (mA·hour/cm 2 ) are achieved depending on substrate texture level. At higher currents (40 mA/cm 2 ), capacities reach up to 604 mA·hour/cm 2 . Rotating disk electrode studies show that dominantly (002) textured Zn substrates exhibit enhanced corrosion resistance and reduced interphase passivation. We introduce an effective Damköhler number (Da*) to concisely describe morphological evolution during electrocrystallization across substrates with different textures. High-texture (002) Zn substrates substantially enhance performance in high-capacity (~20 mA·hour/cm 2 ) symmetric Zn||Zn cells and full cells (Zn||δ-MnO 2 and Zn||I 2 ), enabling fast-charging and prolonged energy storage in coin and pouch rechargeable Zn battery formats.

Science & Technology - Other Topics↗
DOE OSTI2022

Novel Manufacturing Method Could Reduce Costs, Time, and Energy Needed to Make High-Quality Metals

Industry is responsible for about 30% of U.S. carbon emissions and consumes about a third of the country's energy. Much of that energy is used to make essential materials for transportation, defense, and marine applications, like cars, airplanes, space shuttles, and ships. Now, with a novel manufacturing method called Shear Assisted Processing and Extrusion (ShAPE), manufacturers could make higher quality materials while significantly reducing their energy consumption, carbon emissions, and costs.

aluminum extrusion↗
DOE OSTI2020

High‐Valent Metal–Oxo Species at the Nodes of Metal–Triazolate Frameworks: The Effects of Ligand Exchange and Two‐State Reactivity for C−H Bond Activation

Abstract Through quantum‐chemical calculations, we investigate a family of metal–organic frameworks (MOFs) containing triazolate linkers, M 2 X 2 (BBTA) (M=metal, X=bridging anion, H 2 BBTA=1 H ,5 H ‐benzo(1,2‐d:4,5‐d′)bistriazole), for their ability to form terminal metal–oxo sites and subsequently activate the C−H bond of methane. By varying the metal and bridging anion in the framework, we show how to significantly tune the reactivity of this series of MOFs. The electronic structure of the metal–oxo active site is analyzed for each combination of metal and bridging ligand, and we find that spin density localized on the oxo ligand is not an inherent requirement for low C−H activation barriers. For the Mn‐ and Fe‐containing frameworks, a transition from ferromagnetic to antiferromagnetic coupling between the metal binding site and terminal oxo ligand during the C−H activation process can greatly reduce the kinetic barrier, a unique case of two‐state reactivity without a change in the net spin multiplicity.

Rosen, Andrew S.↗