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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Novel Ground States and Phase Transitions in Cobalt-Based Compounds and Heterostructures. Final report, 03/15/2006 - 03/14/2019

This final report summarizes work performed over a 12-year period at the University of Minnesota, focused on magnetic and electronic properties of complex oxide materials, particularly studied with neutron scattering methods. These materials are of high basic scientific interest, but at the same time underpin some key energy technologies. The final report provides a succinct summary of the technical achievements, scientific advances, and technological relevance of the research. Specific products from the research include 55 high quality journal publications, and 73 invited presentations on this scientific content. The results of this work have thus been disseminated broadly, to a variety of scientific and engineering audiences.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Low-Cost Production of Composite Bushings for Jet Engine Applications

The objectives of this research program were to reduce the manufacturing costs of variable stator vane bushings by 1) eliminating the expensive carbon fiber braiding operation, 2) replacing the batch mode impregnation, B-stage, and cutting operations with a continuous process, and 3) reducing the molding cycle and machining operations with injection molding to achieve near-net shapes. Braided bushings were successfully fabricated with both AMB-17XLD and AMB-TPD resin systems. The composite bushings achieved high glass transition temperature after post-cure (+300 C) and comparable weight loss to the PNM-15 bushings. ANM-17XLD bushings made with "batch-mode" molding compound (at 0.5 in. fiber length) achieved a +300 lb-force flange break strength which was superior to the continuous braided-fiber reinforced bushing. The non-MDA resin technology developed in this contract appears attractive for bushing applications that do not exceed a 300 C use temperature. Two thermoplastic polyimide resins were synthesized in order to generate injection molding compound powders. Excellent processing results were obtained at injection temperatures in excess of 300 C. Micro-tensile specimens were produced from each resin type and the Tg measurements (by TMA) for these samples were equivalent to AURUM(R). Thermal Gravimetric Analysis (TGA) conducted at 10 C/min showed that the non-MDA AMB-type polyimide thermoplastics had comparable weight loss to PMR-15 up to 500 C.

Gray, Robert A.↗
DOE OSTI2020

Synthesis of Ionic Ultramicroporous Polymers for Selective Separation of Acetylene from Ethylene

The design of highly stable and efficient porous materials is essential for developing breakthrough hydrocarbon separation methods based on physisorption to replace currently used energy-intensive distillation/absorption technologies. Efforts to develop advanced porous materials such as zeolites, coordination frameworks, and organic polymers have met with limited success. Here, a new class of ionic ultramicroporous polymers (IUPs) with high-density inorganic anions and narrowly distributed ultramicroporosity is reported, which are synthesized by a facile free-radical polymerization using branched and amphiphilic ionic compounds as reactive monomers. A covalent and ionic dual-crosslinking strategy is proposed to manipulate the pore structure of amorphous polymers at the ultramicroporous scale. The IUPs exhibit exceptional selectivity (286.1–474.4) for separating acetylene from ethylene along with high thermal and water stability, collaboratively demonstrated by gas adsorption isotherms and experimental breakthrough curves. Modeling studies unveil the specific binding sites for acetylene capture as well as the interconnected ultramicroporosity for size sieving. Finally, the porosity-engineering protocol used in this work can also be extended to the design of other ultramicroporous materials for the challenging separation of other key gas constituents.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Molecularly Mixed Composite Membranes: Challenges and Opportunities

The fabrication of porous molecules, such as metal–organic polyhedra (MOPs), porous organic cages (POCs) and others, has given rise to the potential for creating “solid solutions” of molecular fillers and polymers. Such solid solutions circumvent longstanding interface issues associated with mixed matrix membranes (MMMs), and are referred to as molecularly mixed composite membranes (MMCMs) to distinguish them from traditional two-phase MMMs. Early investigations of MMCMs highlight the advantages of solid solutions over MMMs, including dispersion of the filler, anti-plasticization of the polymer network, and removal of deleterious interfacial issues. However, the exact microscopic structure as well as the transport modality in this new class of membrane are not well understood. Moreover, there are clear engineering challenges that need to be addressed for MMCMs to transition into the field. Finally in this Minireview, the authors outline several scientific and technological challenges associated with the aforementioned questions and their suggestions to tackle them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chemical heterogeneity modulated zero thermal expansion alloy over super-wide temperature range

Chemical heterogeneity is usually avoided in solution chemistry, but it may still occur with sometimes dramatic effects on target materials and their properties. Here, we propose chemical heterogeneity as a counterintuitive strategy to design high-performance zero thermal expansion (ZTE) alloys. We apply this approach in a Hf-Ti-Fe alloy with excess Fe in the Hf/Ti sublattice and produce Hf/Ti concentration alternations at the micro level. Such chemical heterogeneity regulates local magnetic interactions in alloy and triggers a dispersed magnetic phase transition that modulates the thermal expansions at the micro level and hence results in a remarkable ZTE behavior over a super-wide temperature window from 10 to 480 K. This mechanism is supported by comprehensive studies on morphological microstructures, crystal and magnetic structures, and theoretical calculations. The strategy of local chemical heterogeneity opens up an avenue to design ZTE and the related functional materials directly via microstructure engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2014

How much better are InGaN/GaN nanodisks than quantum wells—Oscillator strength enhancement and changes in optical properties

We show over 100-fold enhancement of the exciton oscillator strength as the diameter of an InGaN nanodisk in a GaN nanopillar is reduced from a few micrometers to less than 40 nm, corresponding to the quantum dot limit. The enhancement results from significant strain relaxation in nanodisks less than 100 nm in diameter. Meanwhile, the radiative decay rate is only improved by 10 folds due to strong reduction of the local density of photon states in small nanodisks. Further increase in the radiative decay rate can be achieved by engineering the local density of photon states, such as adding a dielectric coating.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Defects in Na-, K-, and Cd-Doped CuInSe$_2$ : Canonical Thermodynamics Based on Ab Initio Calculations

In this work. we extend a canonical-thermodynamic method for computing intrinsic point defect concentrations as a function of chemical stoichiometry and temperature to include extrinsic defect contributions, while applying this method to study defects in CuInSe 2 . This technique relies on a large set of defect formation energies calculated from first principles, which require corrections for known errors arising from spurious interactions. Guided by recent experimental work exhibiting the complex interplay between Na, K, and Cd incorporation, we examine the behavior of dominant defects as the material composition varies under experimentally relevant conditions. In addition to identifying the regions of composition-parameter space relevant to the incorporation of impurities Na, K, and Cd, and stable against the formation of secondary compounds, we further study defect kinetics susceptible to the presence of these impurities. From this analysis, we propose a simple model for the enhanced diffusion of Cu-vacancies mediated by K, which could lead to the enhanced incorporation of Cd observed experimentally.

42 ENGINEERING↗
NASA NTRS1982

Ceramic thermal barrier coatings for gas turbine engines

The results of studies concerning the high temperature corrosion resistance of ZrO2-Y2O3, ZrO2-MgO, and Ca2SiO4 plasma-sprayed coatings, which may be used as gas turbine engine thermal barriers, are reported. The coatings were evaluated in atmospheric burner rig and pressurized passage tests, using GT No. 2 fuel in pure form and with sodium, sulfur and vanadium corrosive impurities doping. It is found that, while the coatings performed well in both pressurized passage and burner rig tests with pure fuel chemical reactions between the ceramic coatings and combustion gases/condensates resulted in coating degradation with impure fuels. Chemical reactions between the ceramic coatings and vanadium compounds played a critical role in coating degradation.

Bratton, R. J.↗
NASA NTRS2003

Liquid Coatings for Reducing Corrosion of Steel in Concrete

Inorganic coating materials are being developed to slow or stop corrosion of reinforcing steel members inside concrete structures. It is much simpler and easier to use these coating materials than it is to use conventional corrosion-inhibiting systems based on impressed electric currents. Unlike impressed electrical corrosion-inhibiting systems, these coatings do not require continuous consumption of electrical power and maintenance of power-supply equipment. Whereas some conventional systems involve the use of expensive arc-spray equipment to apply the metallic zinc used as the sacrificial anode material, the developmental coatings can be applied by use of ordinary paint sprayers. A coating material of the type under development is formulated as a liquid containing blended metallic particles and/or moisture-attracting compounds. The liquid mixture is sprayed onto a concrete structure. Experiments have shown that even though such a coat resides on the exterior surface, it generates a protective galvanic current that flows to the interior reinforcing steel members. By effectively transferring the corrosion process from the steel reinforcement to the exterior coating, the protective current slows or stops corrosion of the embedded steel. Specific formulations have been found to meet depolarization criteria of the National Association of Corrosion Engineers (NACE) for complete protection of steel reinforcing bars ("rebar") embedded in concrete.

MacDowell, Louis G.↗
NASA NTRS2023

Bacillus Subtilis Engineered for Aerospace Medicine: A Platform for Off-Planet Production of Pharmaceutical Peptides

Biologics, such as pharmaceutical peptides, have notoriously short shelf lives, insufficient for long-duration space flight missions to the Moon or Mars. To enable the sustainable presence of humans on the Moon or Mars, we must develop methods for on-site production of pharmaceutical peptides in space, a concept we call the Astropharmacy. Here, we present a proof-of-concept for the first step needed: a low-mass system for pharmaceutical production designed to be stable in space. To demonstrate feasibility, we engineered strains of the space-hardy spore-forming bacterium, Bacillus subtilis, to secrete two pharmaceutical peptides important for astronaut health: teriparatide (an anabolic agent for combating osteoporosis) and filgrastim (an effective countermeasure for radiation-induced neutropenia). We found that the secretion peptides from the walM and yoqH genes of B. subtilis worked well for secreting teriparatide and filgrastim, respectively. In consideration of the Translational Research Institute for Space Health (TRISH) challenge to produce a dose equivalent in 24 h, dried spores of our engineered strains were used to produce 1 dose equivalent of teriparatide from a 2 mL culture and 1 dose equivalent of filgrastim from 52 mL of culture in 24 h. Further optimization of strain growth conditions, expression conditions, and promoter sequences should allow for higher production rates to be achieved. These strains provide the template for future optimization efforts and address the first step in the Astropharmacy, capable of on-site production, purification, and processing of biopharmaceutical compounds in platforms amenable for use in space.

Alec Vallota-Eastman↗
DOE OSTI2014

Predictive Engineering Tools for Injection-Molded Long-Carbon-Fiber Thermoplastic Composites - FY 2014 First Quarterly Report

The CRADA between PNNL, Autodesk, Toyota and Magna has been effective since October 28th, 2013. The whole team including CRADA and subcontract partners kicked off the project technically on November 1st, 2013. This report describes work performed during the first quarter of FY 2014. The following technical progresses have been made toward project milestones: 1) The project kickoff meeting was organized at PlastiComp, Inc. in Winona on November 13th, 2013 involving all the project partners. During this meeting the research plan and Gantt chart were discussed and refined. The coordination of the research activities among the partners was also discussed to ensure that the deliverables and timeline will be met. 2) Autodesk delivered a research version of ASMI to PNNL for process modeling using this tool under the project. PNNL installed this research version on a PNNL computer and tested it. Currently, PNNL is using ASMI to prepare the models for PlastiComp plaques. 3) PlastiComp has compounded long carbon-fiber reinforced polypropylene and polyamide 6,6 compounds for rheological and thermal characterization tests by the Autodesk laboratories in Melbourne, Australia. 4) Initial mold flow analysis was carried out by PlastiComp to confirm that the 3D complex part selected by Toyota as a representative automotive part is moldable. 5) Toyota, Magna, PlastiComp and PNNL finalized the planning for molding the Toyota 3D complex part. 6) Purdue University worked with PNNL to update and specify the test matrix for characterization of fiber length/orientation. 7) Purdue University developed tools to automate the data collection and analysis of fiber length and orientation measurements. 8) Purdue University designed and specified equipment to replace the need for equipment using the technology established by the University of Leeds at General Motors.

42 ENGINEERING↗
DOE OSTI2019

Weak antilocalization in quasi-two-dimensional electronic states of epitaxial LuSb thin films

Observation of large nonsaturating magnetoresistance in rare-earth monopnictides has raised enormous interest in understanding the role of its electronic structure. Here, by a combination of molecular-beam epitaxy, low-temperature transport, angle-resolved photoemission spectroscopy, and hybrid density functional theory we have unveiled the band structure of LuSb, where electron-hole compensation is identified as a mechanism responsible for large magnetoresistance in this topologically trivial compound. In contrast to bulk single crystal analogues, quasi-two-dimensional behavior is observed in our thin films for both electron and holelike carriers, indicative of dimensional confinement of the electronic states. Introduction of defects through growth parameter tuning results in the appearance of quantum interference effects at low temperatures, which has allowed us to identify the dominant inelastic scattering processes and elucidate the role of spin-orbit coupling. Our findings open up possibilities of band structure engineering and control of transport properties in rare-earth monopnictides via epitaxial synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Crystal Structure Prediction of Binary Alloys via Deep Potential

Predicting crystal structure has been a challenging problem in physics and materials science for a long time. A reliable energy calculation engine combined with an efficient global search algorithm, such as particle swarm optimization algorithm or genetic algorithm, is needed to conduct crystal structure prediction. In recent years, machine learning-based interatomic potential energy surface models have been proposed, potentially allowing us to perform crystal structure prediction for systems with the accuracy of density functional theory (DFT) and the speed of empirical force fields. In this paper, we employ a previously developed Deep Potential model to predict the intermetallic compound of the aluminum–magnesium system, and find six meta-stable phases with negative or nearly zero formation energy. In particular, Mg 12 Al 8 shows excellent ductility and Mg 5 Al 27 has a high Young's modulus. Based on our benchmark results, we propose a relatively robust structure screening criterion that selects potentially stable structures from the Deep Potential-based convex hull and performs DFT refinement. By using this criterion, the computational cost needed to construct the convex hull with ab initio accuracy can be dramatically reduced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Design and Fabrication of a CdMnTe Nuclear Radiation Detection System

Cadmium manganese telluride (CdMnTe) is one of the ternary compounds of cadmium telluride (CdTe) that has shown great potential applications in the development of X-ray and gamma-ray detectors used in medical imaging and in the detection of radiological and nuclear threats. CdMnTe nuclear detectors are capable of operating at room temperature without cryogenic cooling. The goal of this project is to design and fabricate CdMnTe detection system that can be used in laboratory experiments for characterizing detector materials and for identification of radionuclides. The engineering design objectives include a spring-based sample holder, ability to measure electrical properties of CdTe-based semiconductor nuclear detectors, and the detection of nuclear radiations. This paper presents the design of the sample holder and the fabrication of a CdMnTe detector. The current-voltage characterization experimental results showed that the CdMnTe has the high resistivity needed for CdTe-based nuclear detectors. The results also include the response of the CdMnTe detector to the 59.5-keV gamma peak of Am-241 nuclear radiation source.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Exobiology opportunities from Discovery-class missions

Discovery-class missions that are now planned, and those in the concept stage, have the potential to expand our knowledge of the origins and evolution of biogenic compounds, and ultimately, of the origins of life in the solar system. This class of missions, recently developed within NASA's Solar System Exploration Program, is designed to meet important scientific objectives within stringent guidelines--$150 million cap on development cost and a 3-year cap on the development schedule. The Discovery Program will effectively enable "faster, cheaper" missions to explore the inner solar system. The first two missions are Mars Environmental Survey (MESUR) Pathfinder and Near Earth Asteroid Rendezvous (NEAR). MESUR Pathfinder will be the first Discovery mission, with launch planned for November/December 1996. It will be primarily a technical demonstration and validation of the MESUR Program--a network of automated landers to study the internal structure, meteorology, and surface properties of Mars. Besides providing engineering data, Pathfinder will carry atmospheric instrumentation and imaging capabilities, and may deploy a microrover equipped with an alpha proton X-ray spectrometer to determine elemental composition, particularly the lighter elements of exobiological interest. NEAR is expected to be launched in 1998 and to rendezvous with a near-Earth asteroid for up to 1 year. During this time, the spacecraft will assess the asteroid's mass, size, density, map its surface topography and composition, determine its internal properties, and study its interaction with the interplanetary environment. A gamma ray or X-ray spectrometer will be used to determine elemental composition. An imaging spectrograph, with 0.35 to 2.5 micron spectral range, will be used to determine the asteroid's compositional disbribution. Of the 11 Discovery mission concepts that have been designated as warranting further study, several are promising in terms of determining the composition and chemical evolution of organic matter on small planetary bodies. The following mission concepts are of particular interest to the Exobiology Program: Cometary coma chemical composition, comet nucleus tour, near earth asteroid returned sample, small missions to asteroids and comets, and solar wind sample return. The following three Discovery mission concepts that have been targeted for further consideration are relevant to the study of the evolution of biogenic compounds: Comet nucleus penetrator, mainbelt asteroid rendezvous explorer, and the Mars polar Pathfinder.

Meyer, Michael A.↗
DOE OSTI2018

Fractal nature structure reconstruction method in designing microstructure properties

Highlights: • Structure and material’s properties, within the material’s consolidation triad: Synthesis – Structure – Properties. • The grain prediction methods is based on the measurements of the solid Euclidean geometric fractal characteristics. • The intergranular contacts inside the BaTiO3 -ceramic are responsible for intergranular capacities. • The inner complex geometry of intergrain contacts imposes fractal correction factor for permeability. - Abstract: In the process of predicting materials properties, it is necessary to predict microstructures. This is important for ceramic materials, for the purpose of miniaturization and for a higher level of integration. Although the method of material structure reconstruction is for the first time used on BaTiO{sub 3}-ceramics by these authors, it can also be used for silicate, refractory and other ceramics, and, for any powder-based material. The reconstruction is based on the grain perimeter fractal analysis and the Richardson method. The main contribution of this paper is establishing the relationship between the electronic properties of BaTiO{sub 3}-ceramics and its microstructural fractal nature. Similar relations can be used for any ceramics or even any materials. The samples consolidation includes both powder pressing (cold sintering phase) and sintering in a furnace (hot sintering phase). The fractal nature characterization has a very important role from the powder phase up to the final microstructure, through which structures it directly impacts electro-physical and other ceramics properties. Thereby, the new possibilities in the microstructure characterization applications are directly introduced to an engineering system, providing the new solutions related to computer aided support. This creates new industrial production and application possibilities, especially in the process of ceramics material consolidation, now based on microstructural properties, which is providing a basis for “fractal electronics’’ development.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Superlattices are Greener on the Other Side: How Light Transforms Self-Assembled Mixed Halide Perovskite Nanocrystals

Perovskite nanocrystal superlattices (NC SLs) are the nearest real-world approximations to monodisperse NC ensembles. NC SLs thus represent ideal model systems for evaluating the optical and structural stability of CsPb(I 1– x Br x ) 3 NCs at a macroscopic level. Here, photoinduced changes to CsPb(I 1– x Br x ) 3 NC SLs (0 < x < 1.0) are probed via in situ photoluminescence, X-ray diffraction, and electron microscopy. We find that prolonged (~10–20 h) ultraviolet–visible irradiation causes irreversible PL blueshifts, photobrightening, and crystal structure contractions. These changes stem from gradual photoinduced I 2 sublimation, which transforms CsPb(I 1– x Br x ) 3 into CsPbBr 3 . Despite eliminating half of the initial halides from individual CsPb(I 0.53 Br 0.47 ) 3 particles, NCs within SLs remarkably preserve their initial crystallinity, cuboidal shapes, edge lengths, and size distributions. This work illustrates compositional control toward generating precisely engineered perovskite NC SLs. It also highlights iodide photo-oxidation as a hurdle that must be overcome if mixed halide perovskite nanomaterials are to be applied beyond fundamental studies.

36 MATERIALS SCIENCE↗