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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Heterostructural Alloy Phase Diagram for (Cd 1-x Zn x ) 3 As 2

Alloying the topological semimetal Cd 3 As 2 with Zn 3 As 2 provides a potential route for controlling the electronic properties. We predict the alloy phase diagram from first-principles calculations, considering that both end members have a crystal structure derived from the antifluorite lattice, but with different arrangements of the unoccupied cation sites. To overcome the limitations of the regular solution approximation and to include short-range order effects, we perform Monte Carlo simulations, parameterize the temperature dependence of the mixing enthalpy ΔH m , and perform thermodynamic integration of the free energy. The resulting phase diagram exhibits features that are unique to heterostructural alloy systems and provides computational predictions of solubility limits and composition ranges that are stable against spinodal decomposition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inelastic Neutron Scattering Data for Ba₃Zn(Ru₀.₁Sb₁.₉)O₉

This dataset contains inelastic neutron scattering measurements on the magnetically dilute compound Ba₃Zn(Ru₀.₁Sb₁.₉)O₉, collected at the Spallation Neutron Source using the Cold Neutron Chopper Spectrometer (CNCS) and the SEQUOIA Fine-Resolution Fermi Chopper Spectrometer. The sample consists of nominally 5% magnetic Ru⁵⁺ ions (S = 3/2) randomly substituted into a diamagnetic Sb⁵⁺ matrix. Measurements were performed at base temperature (2–5 K) and 300 K using multiple incident energies (1.00, 3.32, 12.0, and 100 meV) to resolve magnetic excitations from isolated monomers and small Ru clusters (dimers, trimers, etc.). The dataset includes raw event-mode files, momentum- and energy-resolved spectra, and supporting metadata for instrument configuration, sample environment, and reduction parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Roles of Metal Promoters (Co, Cu, K, Ni, Zn, and Cs) in Microwave-Assisted Methane Dehydroaromatization to Aromatics Over Mo-Supported HZSM-5

Microwave (MW)-assisted methane dehydroaromatization (MDHA) offers methane conversion to more value-added aromatics, thus generating revenue and mitigating the flaring emission. We previously found that Mo/HZSM-5, despite offering higher aromatic yield, experienced rapid deactivation under microwave irradiation. Adding metal promoters is one of the solutions to not only modulate the reaction/deactivation pathways, but potentially modify the heating properties of modified Mo/HZSM-5 under MW-assisted MDHA. In this study, Mo/HZSM-5 was modified with various metal promoters (Co, Cu, K, Ni, Zn, and Cs) and their catalytic performance was assessed and correlated with their physical and chemical properties upon adding metal promoters.

Mai, Duy Hien↗
DOE OSTI2026

Metallic Phase-Free Zn-Al Mixed Oxide Dual Function Materials Enable High Co Selectivity in Reactive Carbon Capture From Dilute Streams

Scaling conventional carbon capture and utilization methods can be limited by cost and permitting issues associated with transportation of captured CO2. Reactive carbon capture (RCC), in which a single solid-phase dual function material (DFM) is used to both capture CO2 from dilute streams (e.g., flue gas) and catalytically convert the bound species to products in a single unit operation, has the potential to reduce energy and capital costs by over 50% relative to separate capture and conversion. To incentivize adoption, high-value products such as methanol and CO should be targeted. Appealingly, CO can be produced at atmospheric pressure, thereby lowering overall H2 demand; however, high reaction temperatures (> 600 degrees C) and the use of oxidizable transition metals, such as Ni, are often necessary to drive the reverse water-gas shift (RWGS) during reactive desorption of the bound CO2. The sensitivity of these transition metals to oxygen undercuts their utility in point source RCC. To further derisk RCC, it is essential to develop metallic-phase free DFMs that are insensitive to residual oxygen in flue gas and can achieve selective reactive desorption to CO at moderate pressures (< 400 degrees C). To this end, we have developed K-modified Zn-Al mixed oxides (K/ZnAlOx) to convert captured CO2 to CO with > 97% selectivity and yields up to 53% of captured CO2 at 400 degrees C. Complementary in situ spectroscopy studies revealed the role of K-modification in improving RCC performance of unmodified ZnAlOx. The top performing DFM was also subjected to extended RCC cycling with oxygen co-fed with CO2 during the capture test to assess durability under simulated flue gas.

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

Synthesis and Lithium Storage Properties of Spinel (Al 0.2 Mn 0.2 Co 0.2 Ni 0.2 Zn 0.2 ) 3 O 4 High-Entropy Oxide

High-entropy oxides (HEOs) have garnered significant interest as next-generation anode materials for lithium-ion batteries (LIBs) due to their high theoretical specific capacity and excellent structural stability. This study successfully synthesized spinel-structured (Al 0.2 Mn 0.2 Co 0.2 Ni 0.2 Zn 0.2 ) 3 O 4 HEO via a sol–gel method. The material was characterized by XRD, Raman and TEM, confirming a homogeneous single-phase spinel structure, with uniformly distributed elements-a hallmark of HEOs. Electrochemical tests demonstrated a stable cycling performance (438 mAh g −1 at 100 mA g −1 after 100 cycles and 350 mAh g −1 at 1 A g −1 after 1000 cycles) and rate capacity of 159 mAh g −1 at 2 A g −1 , The remarkable long-term cyclability and good rate capability highlight the potential of this HEO for practical applications in durable, high-power lithium-ion batteries. This work underscores the advantage of incorporating structurally stabilizing elements in HEOs for advanced energy storage.

anode materials↗
NASA NTRS1968

Resistivity measurements of neutron-irradiated pure metals and Al-Zn alloys

Report presents resistivity measurements and their interpretation for neutron-irradiated pure metals and Al-Zn alloys. The influence of temperature, the role of point defects, and the aging behavior on resistivity are considered. The experimental procedures and results are discussed in detail.

Horak, J. A.↗
NASA NTRS1972

Development and testing of a high cycle life 30 A-h sealed AgO-Zn battery

A two-phase program was initiated to investigate design parameters and technology to develop an improved AgO-Zn battery. The basic performance goal was 100 charge/discharge cycles (22 h/2 h) at 50 percent depth of discharge following a six-month period of charged stand at room temperature. Phase 1, cell evaluation, involved testing 70 cells in five-cell groups. The major design variables were active material ratios, electrolyte concentrations, separator systems, and negative plate shape. Phase 1 testing showed that cycle life could be improved 10 percent to 20 percent by using greater ratios of zinc to silver oxide and higher electrolyte concentrations. Wedge-shaped negatives increased cycle life by nearly 100 percent. Phase 2 battery evaluation, which was initiated before the Phase 1 results were known completely, involved evaluation of six designs as 19-cell batteries. Only one battery exceeded 100 cycles following nine months charged stand.

Bogner, R. S.↗
NASA NTRS1972

L-S coupling interpretation of high-resolution LMM Auger spectra of Cu and Zn.

High-resolution LMM Auger spectra of Cu and Zn obtained by X-ray excitation are shown to contain fine structures which have not been reported previously. An attempt has been made to classify these fine structures in terms of pure L-S coupling of the final vacancies of the atom. The agreement between the calculated and the observed energy separations of the fine-structure lines is good within the accuracy of the Hartree-Fock approximation.

Yin, L.↗
NASA NTRS1973

Diffusion across the modified polyethylene separator GX in the heat-sterilizable AgO-Zn battery

Models of diffusion across an inert membrane have been studied using the computer program CINDA. The models were constructed to simulate various conditions obtained in the consideration of the diffusion of Ag (OH)2 ions in the AgO-Zn battery. The effects on concentrations across the membrane at the steady state and on the fluxout as a function of time were used to examine the consequences of stepwise reducing the number of sources of ions, of stepwise blocking the source and sink surfaces, of varying the magnitude of the diffusion coefficient for a uniform membrane, of varying the diffusion coefficient across the membrane, and of excluding volumes to diffusion.

Lutwack, R.↗
NASA NTRS1975

Moessbauer studies in Zn(2+)0.3 Mn(2+)0.7 Mn(3+) (2-y) Fe(3+) (2-y) O4

The Mossbauer effect has proven to be effective in the study of nuclear hyperfine interactions. Ferrite systems having the formula (Zn(2+)0.3)(Mn(2+)0.7)(Mn(3+)y)(Fe(3+)2-y)(O4) were prepared and studied. These systems can be interpreted as mangacese-doped zinc and a part of iron ions. A systematic study of these systems is presented to promote an understanding of their microstructure for which various theories were proposed.

Gupta, R. G.↗