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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 1,315 records · Page 73

Alloy Design Workbench-Surface Modeling Package Developed

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Abel, Phillip B.↗

Rapid and flexible segmentation of electron microscopy data using few-shot machine learning

Abstract Automatic segmentation of key microstructural features in atomic-scale electron microscope images is critical to improved understanding of structure–property relationships in many important materials and chemical systems. However, the present paradigm involves time-intensive manual analysis that is inherently biased, error-prone, and unable to accommodate the large volumes of data produced by modern instrumentation. While more automated approaches have been proposed, many are not robust to a high variety of data, and do not generalize well to diverse microstructural features and material systems. Here, we present a flexible, semi-supervised few-shot machine learning approach for segmentation of scanning transmission electron microscopy images of three oxide material systems: (1) epitaxial heterostructures of SrTiO 3 /Ge, (2) La 0.8 Sr 0.2 FeO 3 thin films, and (3) MoO 3 nanoparticles. We demonstrate that the few-shot learning method is more robust against noise, more reconfigurable, and requires less data than conventional image analysis methods. This approach can enable rapid image classification and microstructural feature mapping needed for emerging high-throughput characterization and autonomous microscope platforms.

36 MATERIALS SCIENCE↗

Observation of multiple nodal lines in SmSbTe

Having been a ground for various topological fermionic phases, the family of ZrSiS-type 111 materials has been under experimental and theoretical investigations. Within this family of materials, the subfamily LnSbTe (Ln = lanthanide elements) is gaining interest in recent times as the strong correlation effects and magnetism arising from the 4f electrons of the lanthanides can provide an important platform to study the link between topology, magnetism, and correlation. In this Letter, we report the systematic study of the electronic structure of SmSbTe—a member of the Ln SbTe subfamily—by utilizing angle-resolved photoemission spectroscopy in conjunction with first-principles calculations, transport, and magnetic measurements. Our experimental results identify multiple Dirac nodes forming the nodal lines along the Γ–X and Z–R directions in the bulk Brillouin zone (BZ) as predicted by our theoretical calculations. Additionally, a surface Dirac-like state is also observed at the X point of the surface BZ. Our study highlights SmSbTe as a promising candidate to understand the topological electronic structure of LnSbTe materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Polymer Coatings on Virus-like Particle Nanoreactors at Low Ionic Strength—Charge Reversal and Substrate Access

Virus-like particles (VLPs) are a class of biomaterials which serve as platforms for achieving the desired functionality through interior and exterior modifications. Through ionic strength-mediated electrostatic interactions, VLPs have been assembled into hierarchically ordered materials. This work builds on predictive models to prepare polymer-coated VLP dusters at very low ionic strength. Zeta potential measurements showed that the clusters carried a strongly positive charge, a complete charge reversal from the VLP building block. SAXS analysis confirmed polymer adsorption onto the VLP exterior. Furthermore, we then studied the activity of an encapsulated enzyme toward small molecular and macromolecular substrates to determine the effect of each component of the hierarchically assembled material. We found that while encapsulation and polymer coating did not have a large effect on access to the enzyme by its native, small molecular substrate, substrate modification with a macromolecule caused the polymer coating and encapsulation to affect the access to the enzyme.

59 BASIC BIOLOGICAL SCIENCES↗

Metal–Organic Framework as a Dual Support for Organic Photosensitizers and Single-Atom Catalysts

Metal–organic framework (MOF)-supported single-atom catalysts (SACs) possess integrated unique capabilities of both MOF and SACs, which represent a promising class of catalysts for photocatalytic applications. Herein, we report the incorporation of nickel (Ni) SACs onto its zirconium node and the functionalization of the organic linker of the zirconium MOF with perylene tetracarboxylic dianhydride (PDA), resulting in the formation of a hybrid MOF (denoted as Ni-PiU) with significantly enhanced light absorption ability in the visible region. Using the combination of time-resolved emission and X-ray absorption spectroscopy, we show that efficient charge separation occurs by electron transfer from incorporated PDA to Ni SACs with super slow charge recombination dynamics. As a result of these important photophysical properties, Ni-PiU MOF exhibits excellent photocatalytic activity and durability for the hydrogen evolution reaction. Finally, this work demonstrates the unique ability of MOFs as a dual platform to incorporate both SACs and a light absorption unit into their framework, providing a promising strategy for rational design of next-generation photocatalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shock equation of state experiments in MgO up to 1.5 TPa and the effects of optical depth on temperature determination

Laser-driven shock compression enables an experimental study of phase transitions at unprecedented pressures and temperatures. One example is the shock Hugoniot of magnesium oxide (MgO), which crosses the B1–B2-liquid triple point at 400–600 GPa, 10 000–13 000 K (0.86–1.12 eV). MgO is a major component within the mantles of terrestrial planets and has long been a focus of high-pressure research. Here, we combine time-resolved velocimetry and pyrometry measurements with a decaying shock platform to obtain pressure–temperature data on MgO from 300 to 1500 GPa and 9000 to 50 000 K. Pressure–temperature–density Hugoniot data are reported at 1500 GPa. These data represent the near-instantaneous response of an MgO [100] single crystal to shock compression. We report on a prominent temperature anomaly between 400 and 460 GPa, in general agreement with previous shock studies, and draw comparison with equation-of-state models. We provide a detailed analysis of the decaying shock compression platform, including a treatment of a pressure-dependent optical depth near the shock front. We show that if the optical depth of the shocked material is larger than 1 μm, treating the shock front as an optically thick gray body will lead to a noticeable overestimation of the shock temperature.

36 MATERIALS SCIENCE↗

All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control

This is the final report for the project “All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control”, funded by DOE, and performed by Clemson University, Phase IV Engineering and Harvard University from October 1, 2016 to December 31, 2020. The main objective of this project is to develop, demonstrate and pre-commercialize a novel, plug & play, battery-free, wireless sensor technology to enable low-cost (<$10 per node) indoor and outdoor temperature and humidity measurement for energy efficient building controls and operations. The proposed technology is based on the novel concept of all-digital sensing and its seamless integration with the passive RFID technology. This project focuses on the design, fabrication, material optimization, interrogation electronics, validation, and demonstration of the novel sensor nodes for building applications. The specific objectives of this research program include: (1) Design, fabricate and optimize a compact, robust, and high-resolution digitizer, which could convert rotation angle into digital numbers. (2) Develop the multi-physics-based modeling and simulation of the temperature/humidity transducer to derive a rational design of the architecture, dimension, structure, materials (i.e., mechanical, electrical, thermal and hygroscopic) properties and functions of the sensor node. (3) Design, fabricate and optimize the bi-material based humidity sensitive coil which could linearly transduce the environmental relative humidity variations to rotation angles. (4) Design, fabricate and optimize an UHF RFID platform which could support long-range passive wireless communications of 8-bit digital numbers. (5) Design, fabricate and optimize the miniaturized all-digital sensor using MEMS technology. (6) Validate the integrated all-digital sensing system in a real building environment to test the system’s performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

National Smart Manufacturing Strategic Plan: To Facilitate More Rapid Development, Deployment and Adoption of Smart Manufacturing Technologies

Smart manufacturing technologies provide real-time data and insight to improve the productivity, efficiency, and competitiveness of U.S. manufacturing, creating the potential for new jobs in the manufacturing sector. These technologies can support U.S. manufacturers’ ability to increase throughput and energy efficiency, and decrease waste, defects, and costs. A wide range of manufacturing and industrial subsectors, particularly energy-intensive and energy-dependent industries, have the potential to benefit from smart manufacturing technologies. There are technical improvements still needed to reduce the costs and barriers (trained workforce and upskilling, software-hardware integration, cost, and technical barriers to deployment of advanced sensors, computing, and communication technologies for existing manufacturing assets) to the adoption of smart manufacturing technologies, especially to small and medium-sized manufacturers, and subsequently, increase the overall adoption rate of smart manufacturing technologies. This report outlines the Department of Energy’s (DOE) strategic plan to accelerate the development and implementation of smart manufacturing technologies in the United States and the actions DOE has taken to use these technologies in smart manufacturing for the United States. DOE’s plan to facilitate more rapid development, deployment and widespread adoption of smart manufacturing technologies derive from the 2018 Strategy for American Leadership in Advanced Manufacturing. The strategy outlines a vision for America’s leadership in advanced manufacturing including the development of intelligent manufacturing systems to optimize manufacturing facilities and support the manufacturing of transformative materials. DOE’s Clean Energy Smart Manufacturing Innovation Institute (CESMII), a Manufacturing USA Institute, focuses on accelerating the development and adoption of advanced sensors, controls, platforms, and models needed for smart manufacturing. The objective is to enhance U.S. manufacturing productivity and global competitiveness through the research and development of these technologies. Smart manufacturing has the potential to improve the overall performance, energy productivity, and efficiency of manufacturing, fostering the economic competitiveness of the manufacturing sector.

99 GENERAL AND MISCELLANEOUS↗

Sensors and detectors in NASA's future missions

Advances in electronics are responsible for major improvements in NASA's sensing and detection capabilities for future space missions. Technologies such as charge-transfer devices, tunable diode lasers, millimeter and submillimeter wave solid-state receiver components, large-scale circuit integration, new electronic materials and processing techniques, and novel detector electronics are contributing to the goal of a tenfold increase in the capacity of data collection from future platforms and will be used for space exploration and utilization.

Rubin, B.↗

Quiet Clean Short-haul Experimental Engine (QCSEE) under-the-wing engine composite fan blade design

The design and analysis of a composite fan blade for the under the wing (UTW) QCSEE is presented. The blade is designed for a variable pitch, 18 bladed rotor and is constructed from a hybrid composite combination of materials consisting of Kevlar-49, type AS graphite, boron, and S-glass fibers in a PR288 epoxy resin matrix. The blade has an attached platform which is constructed of AS-graphite, PR288 epoxy resin matrix and aluminum honeycomb. The blade is designed to satisfy aerostability and cyclic life and strength requirements with a light weight construction. The attached platform is designed for a fail-safe condition in that it is retainable by the blade, under centrifugal force loading, even in the event of blade to platform bond separation. Details of the blade design and the results of stress, vibration, and impact analysis are included.

Source record↗

Space fabrication - The key to future large space systems

Construction techniques for large space structures are discussed. It is pointed out that in contrast to assembly in orbit and the deployment technique space fabrication offers favorable densities (transporting structural materials on reels) and can be adapted to automated construction. A space fabrication machine containing reels of flat sheet material and sets of rollers or dies is described, as is a machine for fabricating composite material (which must be heated for forming and then cooled to achieve structural strength). The use of fabrication machines to build such structures as space platforms, microwave radiometers, and satellite power systems is discussed. The versatility of the machine when operated in conjunction with the Space Shuttle and a set of jigs is illustrated by showing how large square solar panels and large hexagonal structures could be constructed. The need for a flight demonstration of the fabrication machine is stressed.

Savage, M.↗

Vibration isolation system for testing in a vacuum

The design, manufacture, and testing of an isolation system placed under a bench which simulates a space platform during testing in a hard vacuum are described. A low natural frequency isolation system is used to decouple ground vibrations from the bench. The materials used are vacuum compatible and do not introduce unwanted matter which would contaminate the payload optics and/or the testing environment. The system accommodates payloads of varying weights and envelopes.

Jack Dankowski↗

Advanced Turbine Technology Applications Project (ATTAP)

ATTAP activities during the past year included test-bed engine design and development, ceramic component design, materials and component characterization, ceramic component process development and fabrication, ceramic component rig testing, and test-bed engine fabrication and testing. Significant technical challenges remain, but all areas exhibited progress. Test-bed engine design and development included engine mechanical design, combustion system design, alternate aerodynamic designs of gasifier scrolls, and engine system integration aimed at upgrading the AGT-5 from a 1038 C (1900 F) metal engine to a durable 1372 C (2500 F) structural ceramic component test-bed engine. ATTAP-defined ceramic and associated ceramic/metal component design activities completed include the ceramic gasifier turbine static structure, the ceramic gasifier turbine rotor, ceramic combustors, the ceramic regenerator disk, the ceramic power turbine rotors, and the ceramic/metal power turbine static structure. The material and component characterization efforts included the testing and evaluation of seven candidate materials and three development components. Ceramic component process development and fabrication proceeded for the gasifier turbine rotor, gasifier turbine scroll, gasifier turbine vanes and vane platform, extruded regenerator disks, and thermal insulation. Component rig activities included the development of both rigs and the necessary test procedures, and conduct of rig testing of the ceramic components and assemblies. Test-bed engine fabrication, testing, and development supported improvements in ceramic component technology that permit the achievement of both program performance and durability goals. Total test time in 1991 amounted to 847 hours, of which 128 hours were engine testing, and 719 were hot rig testing.

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Spinoff from a Mooncraft Technology

Avco Specialty Materials' Chartek III fireproofing provides longterm fire protection for structural steel in high risk industrial applications such as structural conduits, pipes and valves of offshore platforms, and storage tanks used in hydrocarbon processing industry. In the presence of fire, Chartek III fire-proofing provides two kinds of protection. One of them is ablation, technique used on Apollo involving dissipation of heat by burnoff. The other is called intumescence or swelling. Heat causes the Chartek coating to swell to a thickness six times greater than when it was applied forming a protective blanket of char that retards transfer of heat to the steel structure. Mesh reinforcement keeps the char intact and reduces metal fatigue. Chartek provides fire protection for as much as two or three hours depending on the type of fire and the thickness of the coating applied.

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Power Lander for Support of Long-Term Lunar Presence

Emerging industrial base and the consequent sustained manned Lunar presence will require consistent high power capacities. This paper proposes a first iteration design of a flyable electric power platform which could serve as an enabler of Lunar Development and Exploration. It is intended to support a small facility solo or an emerging industrial base as part of a grid. Lunar Missions, Habitats and Facilities stand to benefit from an expected decade of non-stop operation, the economics of scale, Commercial Off-The-Shelf (COTS) availability, standardization of design, and logistical support for Lunar encampments provided by this architecture. The unattended and unmanned vehicle design is to be man- and robotics-serviceable after delivery by current and proposed heavy-lift boosters. Design continuity within a family of systems will improve reliability through "lessons learned'' in the field. Further, various configurations of the proposed scalable architecture will provide reference platforms for the indigenous construction of similar power plant facilities from in-situ Lunar resources (ISRU). The baseline design should be directed towards those materials available on the Moon and expected to be manufacturable on-site within the first decade of operation.

Joyner, Russ↗

Semiconductor Reference Oscillator Development for Coherent Detection Optical Remote Sensing Applications

The NASA Earth Science Enterprise Advanced Technology Initiatives Program is supporting a program for the development of semiconductor laser reference oscillators for application to coherent optical remote sensing from Earth orbit. Local oscillators provide the frequency reference required for active spaceborne optical remote sensing concepts that involve heterodyne (coherent) detection. Two recent examples of such schemes are Doppler wind lidar and tropospheric carbon dioxide measurement by laser absorption spectrometry, both of which are being proposed at a wavelength of 2.05 microns. Frequency-agile local oscillator technology is important to such applications because of the need to compensate for large platform-induced Doppler components that would otherwise interfere with data interpretation. Development of frequency-agile local oscillator approaches has heretofore utilized the same laser material as the transmitter laser (Tm,Ho:YLF in the case of the 2.05-micron wavelength mentioned above). However, a semiconductor laser-based frequency-agile local oscillator offers considerable scope for reduced mechanical complexity and improved frequency agility over equivalent crystal laser devices, while their potentially faster tuning capability suggest the potential for greater scanning versatility. The program we report on here is specifically tasked with the development of prototype novel architecture semiconductor lasers with the power, tunability, and spectral characteristics required for coherent Doppler lidar. The baseline approach for this work is the distributed feedback (DFB) laser, in which gratings are etched into the semiconductor waveguide structures along the entire length of the laser cavity. However, typical DFB lasers at the wavelength of interest have linewidths that exhibit unacceptable growth when driven at the high currents and powers that are required for the Doppler lidar application. Suppression of this behavior by means of corrugation pitch-modulation (using a detuned central section to prevent intensity peaking in the center of the cavity) is currently under investigation to achieve the required performance goals.

distributed feedback (DFB) laser↗

Characterization of Shock Effects in Calcite by Raman Spectroscopy: Results of Experiments

Carbonates comprise approx. 20% by volume of present day Earth's sedimentary rocks and store most of the terrestrial CO2 inventory. Some of the oldest meta-sedimentary rocks found on Earth contain abundant carbonate from which impact-induced release of CO2 could have played a role in the formation and evolution of the atmosphere. Carbonates are also present in the target materials for approx. 30% of all terrestrial impact structures including large impacts such as Chicxulub which happened to occur at a location with extraordinarily thick platform carbonate 3-6 km deep. The impact release of CO2 from carbonates can cause global warming as a result of the well-known greenhouse effect and have subsequent effects on climate and biota. Therefore, the shock behavior of calcite is important in understanding the Cretaceous-Paleogene event and other impacts with carbonate-bearing sediments in their target(s) such as Mars and some asteroids. A comprehensive survey utilizing a variety of techniques to characterize the effects manifest in Calcite (Iceland Spar) experimentally shocked to 60.8 GPa has been completed. Results of analysis by Raman Spectroscopy are reported here.

Bell, M. S.↗

High-throughput studies of novel magnetic materials in borides

Borides are a versatile material family with various properties for valuable applications. Conventional magnetism, such as ferromagnetism and antiferromagnetism in borides, have been extensively studied. However, research on unconventional magnetism in borides where quantum effects are dominant is scarce. Here, we implement a high-throughput workflow combining first-principles calculations, materials prediction, and magnetic properties calculations to discover novel magnetism and magnetic materials in borides. Successfully applying the workflow, we report three families of novel magnetic borides, including two families of borides exhibiting quantum magnetism. One is a family of dimerized quantum magnets among YCrB 4 -type borides, which provides a rare platform for studying the spin-gap quantum critical point. The other is a family of altermagnets among FeMo2B 2 -type borides, extending the magnetic orderings exhibited by borides beyond conventional ferromagnetism and antiferromagnetism. We also predict a family of magnetic laminate transition metal borides, known as the MAB phases, in the AlFe 2 B 2 -type family, which provide pure-phase or alloying candidates for studying magnetocaloric materials and the associated magnetic transitions. The workflow is expected to be used in further studies of novel magnetism and magnetic materials.

36 MATERIALS SCIENCE↗