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Results for “Material design”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Analysis of Photothermal Characterization of Layered Materials: Design of Optimal Experiments

In this paper numerical calculations are presented for the steady-periodic temperature in layered materials and functionally-graded materials to simulate photothermal methods for the measurement of thermal properties. No laboratory experiments were performed. The temperature is found from a new Green s function formulation which is particularly well-suited to machine calculation. The simulation method is verified by comparison with literature data for a layered material. The method is applied to a class of two-component functionally-graded materials and results for temperature and sensitivity coefficients are presented. An optimality criterion, based on the sensitivity coefficients, is used for choosing what experimental conditions will be needed for photothermal measurements to determine the spatial distribution of thermal properties. This method for optimal experiment design is completely general and may be applied to any photothermal technique and to any functionally-graded material.

Cole, Kevin D.↗
DOE OSTI2025

Toward High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules

Efficient energy storage systems are crucial to address the intermittency of renewable energy sources. As multivalent batteries, Zn-ion batteries (ZIBs), while inherently low voltage, offer a promising low-cost alternative to Li-ion batteries due to the viable use of zinc as the anode. However, to maximize the potential impact of ZIBs, rechargeable cathodes with improved Zn diffusion are needed. To better understand the chemical and structural factors influencing Zn-ion mobility within battery electrode materials, we employ a high-throughput computational screening approach to systematically evaluate candidate intercalation hosts for ZIB cathodes, expanding the chemical search space on empty intercalation hosts that do not contain Zn. We leverage a high-throughput screening funnel to identify promising cathodes in ZIBs, integrating screening criteria with density functional theory (DFT)-based calculations of Zn2+ intercalation and diffusion inside the host materials. Using these data, we identify the design principles that favor Zn-ion mobility in candidate cathode materials. Building on previous work on divalent-ion cathodes, this study broadens the chemical space for next-generation multivalent energy storage systems.

electrodes↗
DOE OSTI2024

Manganese-rich high entropy oxides for lithium-ion batteries:materials design approaches to address voltage fade

Lithium- and manganese-rich oxides are of interest as lithium-ion battery cathode materials as Mn is earth abundant, low cost, and can deliver high capacity. Herein, a high entropy strategy was used to prepare Mn rich high entropy oxide (HEO) materials by including four additional metals (Ni, Co, Fe and Al) in the compositions using a mild co-precipitation method. Two HEOs (Li x Ni 0.1 Mn 0.6 Co 0.1 Al 0.1 Fe 0.1 O y , where x = 1.5 for HEO-L and x = 0.5 for HEO-H) with layered and spinel-layered hybrid structures were investigated where the morphology, elemental composition, structure, atomic level phase distribution, and electrochemistry were determined. The HEO-L samples involve a Li 2 TMO 3 layered structure with ~39% stacking faults. HEO-H is a hybrid structure comprised of 80 wt% spinel and 20 wt% LiMO 2 layered structure. The high entropy manganese-rich HEO-L showed higher capacity and 93% retention of the average voltage after 100 cycles while HEO-H showed higher capacity retention and near 100% average voltage retention. Finally, operando X-ray absorption spectroscopy revealed that the Ni, Co, and Mn are redox active in both materials while the Fe center remains at the Fe 3+ oxidation state throughout cycling, where the changes in the oxidation states for both materials during discharge were consistent with the delivered electrochemical capacity rationalizing the observed electrochemistry.

25 ENERGY STORAGE↗
NASA NTRS2003

Gamma (K5 Based) Compressor Blade Material Design - Alpha Extrusion on a Small Scale

The objective of the 2003 study is to develop a mechanically processed, high temperature TiAl alloy for use in the Turbine Based Combined Cycle compressor. An aging study with 3 temperatures and 4 time periods at each temperature will be conducted to determine the optimum aging condition. High-magnification microscopic analyses shall be employed to define the size distribution of carbide as a function of aging temperature/time. The contractor shall define optimum materials' conditions by conducting tensile and creep testing for two over-aging conditions for both alloys and fatigue testing for one over-aging condition for each alloy.

Kim, Young-Won↗
NASA NTRS2001

Approach and Issues Relating to Shield Material Design to Protect Astronauts from Space Radiation

One major obstacle to human space exploration is the possible limitations imposed by the adverse effects of long-term exposure to the space environment. Even before human spaceflight began, the potentially brief exposure of astronauts to the very intense random solar energetic particle (SEP) events was of great concern. A new challenge appears in deep space exploration from exposure to the low-intensity heavy-ion flux of the galactic cosmic rays (GCR) since the missions are of long duration and the accumulated exposures can be high. Since aluminum (traditionally used in spacecraft to avoid potential radiation risks) leads to prohibitively expensive mission launch costs, alternative materials need to be explored. An overview of the materials related issues and their impact on human space exploration will be given.

Wilson, J. W.↗
DOE OSTI2025

Porous transport electrodes for oxygen evolution reaction in proton exchange membrane water electrolysis -cells: Materials, designs, and diagnoses

H 2 production using proton exchange membrane (PEM) water electrolysis (PEMWE) cells has received considerable attention because of the high efficiencies of these cells and no harmful emissions from the related process. In PEMWE cells, porous transport electrodes (PTEs) composed of a catalyst layer (CL) comprising O 2 evolution reaction (OER) catalysts, porous transport layer (PTL), and PEM play key roles in the stack performance and lifetime. Herein, Ir-based and non-precious-metal OER catalysts that are highly active and stable at low pH values and high anodic potentials are reviewed to understand their OER mechanisms. Various strategies are proposed for engineering CLs and PTLs to improve the interfacial properties and mass transfers of reactants and products to and from the active sites. Additionally, diagnoses of PTEs is significantly crucial for interpreting electrochemical processes and addressing their current challenges. Therefore, half-cell analyses, including diffusion electrode (DE), floating electrode (FE), and modified rotating disk electrode (MRDE) techniques, are explored, and membrane electrode assembly (MEA)-based analyses, such as the polarization technique, electrochemical impedance spectroscopy, and magnetic field analysis, are established. In conclusion, this study aims to provide an overview of recent technologies used for the engineering and diagnostic tools of PEMWE cells and insights into the advanced components and systems to be developed in this field.

Diagnosis of PEMWE Cells↗
DOE OSTI2025

System and Machine Learning-Guided Materials Design for High-Pressure Hydrogen Compression

Cost-effective and reliable hydrogen compression remains a challenging barrier in the widespread adoption of hydrogen as an energy carrier. The prevailing technology of mechanical compression suffers from several drawbacks, some of which can be addressed by nonmechanical compression strategies (e.g., electrochemical or metal hydride-based thermal compression). Thermally driven metal hydride compression strategies typically rely on multistage metal hydride-based compressors; however, discovering or optimizing low-stability metal hydrides that can pressurize hydrogen upward of 1000 bar is difficult, both with respect to computational predictions and experimental validation. Here, in this study, we (1) demonstrate that simple machine learning-derived design rules can inform the rational design of alloying strategies yielding low-stability hydrides, (2) validate their experimental pressure–composition–temperature (PCT) isotherms up to 875 bar, and (3) utilize a dynamic system-level model of a metal hydride compressor design to evaluate their performance under realistic operating conditions. Importantly, this analysis yields predicted operational efficiencies of both 2-stage (90–875 bar) and 3-stage (20–875 bar) metal hydride compressors to enable further evaluation of this technology and its techno-economic outlook.

alloy optimization↗
NASA NTRS2008

Nonstoichiometric Laser Materials: Designer Wavelengths in Neodymium Doped Garnets

The tunable nature of lasers provides for a wide range of applications. Most applications rely on finding available laser wavelengths to meet the needs of the research. This article presents the concept of compositional tuning, whereby the laser wavelength is designed by exploiting nonstoichiometry. For research where precise wavelengths are required, such as remote sensing, this is highly advantageous. A theoretical basis for the concept is presented and experimental results in spectroscopic measurements support the theoretical basis. Laser operation nicely demonstrates the validity of the concept of designer lasers.

Walsh, Brian M.↗