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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Role of shell composition and morphology in achieving single-emitter photostability for green-emitting “giant” quantum dots

The use of the varied chemical reactivity of precursors to drive the production of a desired nanocrystal architecture has become a common method to grow thick-shell graded alloy quantum dots (QDs) with robust optical properties. Conclusions on their behavior assume the ideal chemical gradation and uniform particle composition. In this work, advanced analytical electron microscopy (high-resolution scanning transmission electron microscopy coupled with energy dispersive spectroscopy) is used to confirm the nature and extent of compositional gradation and these data are compared with performance behavior obtained from single-nanocrystal spectroscopy to elucidate structure, chemical-composition, and optical-property correlations. In particular, the evolution of the chemical structure and single-nanocrystal luminescence was determined for a time-series of graded-alloy “CdZnSSe/ZnS” core/shell QDs prepared in a single-pot reaction. In a separate step, thick (~6 monolayers) to giant (>14 monolayers) shells of ZnS were added to the alloyed QDs via a successive ionic layer adsorption and reaction (SILAR) process, and the impact of this shell on the optical performance was also assessed. By determining the degree of alloying for each component element on a per-particle basis, we observe that the actual product from the single-pot reaction is less “graded” in Cd and more so in Se than anticipated, with Se extending throughout the structure. The latter suggests much slower Se reaction kinetics than expected or an ability of Se to diffuse away from the initially nucleated core. It was also found that the subsequent growth of thick phase-pure ZnS shells by the SILAR method was required to significantly reduce blinking and photobleaching. However, correlated single-nanocrystal optical characterization and electron microscopy further revealed that these beneficial properties are only achieved if the thick ZnS shell is complete and without large lattice discontinuities. Thus, we identify the necessary structural design features that are required for ideal light emission properties in these green-visible emitting QDs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

CdInP semiconductor alloy

Semiconductor alloy of CdSInP deposited onto CdS substrate using liquid-phase epitaxy (LPE) employed in solvent is replacement for InP n- and p-type heterojunction layers contained in GaAsp laser devices. Alloy will aid in lowering current density of laser and enhance its longevity and CW operation at room temperature.

Hawrylo, F. Z.↗
DOE OSTI2023

Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration

Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a passivating layer on a variety of titanium alloys for structural and functional applications. These oxides tend to be structurally diverse, featuring polymorphic phases, grain boundaries, and amorphous regions that generate a disparate set of unique local environments for hydrogen. Here, we introduce a workflow that can efficiently and accurately navigate this complexity. First, a machine learning force field, trained on ab initio molecular dynamics simulations, was used to generate amorphous configurations. Density functional theory calculations were then performed on these structures to identify local oxygen environments, which were compared against experimental observations. Second, to classify subtle differences across the disordered configuration space, we employ a graph-based sampling procedure. Finally, local hydrogen binding energies and hopping kinetics are computed using exhaustive density functional theory calculations on representative configurations. Here, we leverage this methodology to show that hydrogen binding energetics are described by local oxygen coordination, which in turn is affected by stoichiometry, and form the basis of hopping kinetics and diffusion. Together these results imply that hydrogen incorporation and transport in TiO x can be tailored through compositional engineering, with implications for improving the performance and durability of titanium-derived alloys in hydrogen environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ion irradiation effects on Cr-coated zircaloy-4 surface wettability and pool boiling critical heat flux.

The concept of coating the currently used nuclear fuel cladding (zirconium-based alloy, typically Zircaloy-4 or Zirc-4) with an oxidation preventive layer is a progressing Accident tolerant Fuel (ATF) candidate alloys. The coated Zirc-4-based alloys could be a solution to suppress undesirable fast reaction kinetics with high-temperature steam. Zirc-4 has been the most preferred cladding material in pressurized water reactors (PWRs). Chromium (Cr) based alloys as a coating material provides excellent corrosion protection and good strength and wear resistance. In this paper, we present the surface wettability measurements and pool boiling Critical Heat Flux (CHF) for Cr-coated Zirc-4 claddings pre- and post-exposure to an ion irradiation environment. The wettability measurements, including static contact angle (contact angle, θ) and average surface roughness (surface roughness, Ra), are introduced for samples of different coating thicknesses (5–30 μm thick). The coatings fabricated by the cold spray of Cr-Al particles to 10 mm × 10 mm × 1.95 mm Zirc-4 substrates. Post fabrication, a Pilgering (cold rolling) process, was applied to finalize the coating thickness and resulted in a significant reduction in surface roughness of initially fabricated rough surfaces. The process produced three distinguished samples 5-μm unpolished (as machined), 5-μm, and 30-μm polished (cold rolled). The measurements are presented for the three surfaces and bare Zirc-4 as a baseline surface. The contact angle analyses were implemented in theoretical models from the literature to predict pool boiling CHF. Pool boiling experiments were conducted to measure the pool boiling CHF values and compare them to the predicted values. Scanning Electron Microscope (SEM) images and Energy Dispersive X-ray Spectroscopy (EDS) analysis was performed to characterize the surfaces for better understanding and interpreting the results. The SEM images showed localized surface damage due to ion irradiation. No recognized change in the measured surface roughness due to ion irradiation. The contact angles of irradiated Cr-coated surfaces are consistently higher (10°) than pre-irradiated surfaces. Decreasing the Cr-coating layer thickness resulted in lower contact angle pre- and post- ion irradiation. The predicted pool boiling CHF using the Kandlikar model is in good agreement with the experimentally measured CHF values within ±12% for all samples.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Variable-porosity panel systems and associated methods

Variable-porosity panel systems and associated methods. A variable-porosity panel system includes a panel assembly with an exterior layer defining a plurality of exterior layer pores and a sliding layer adjacent to the exterior layer and defining a plurality of sliding layer pores. The variable-porosity panel system additionally includes a shape memory alloy (SMA) actuator configured to translate the sliding layer relative to the exterior layer to modulate a porosity of the panel assembly. The SMA actuator includes an SMA element configured to exert an actuation force on the sliding layer and at least partially received within an SMA element receiver of the sliding layer. The SMA element extends out of the sliding layer only at a sliding layer first end. A method of operating the variable-porosity panel system includes assembling the variable-porosity panel system and/or transitioning the panel assembly of the variable-porosity panel system among the plurality of panel configurations.

Calkins, Frederick T.↗
DOE OSTI2021

A pushered capsule implosion as an alternate approach to the ignition regime for inertial confinement fusion

We report in inertial confinement fusion, the threshold for ignition is a highly dynamic quantity as the sources and sinks of power in the hot spot can vary rapidly. In this article, we consider the ignition condition as a race between heating and disassembly rates and make use of a prior solution to the fusion hot-spot thermodynamics to develop a Lawson-like ignition criteria for pressure × confinement time (p-τ) vs temperature. Low-Z capsule designs reach the temperature for this threshold using as much of the shell as feasible as ablator but then are limited in τ by low stagnated mass. An alternate approach, the pushered single shell (PSS) design [D. D.-M. Ho, S. MacLaren, and Y. Wang, “High-yield implosions via radiation trapping and high rho-R,” paper presented at the 60th Annual Meeting of the APS Division of Plasma Physics, 2018], introduces a dense inner layer of Mo-Be alloy that is smoothly graded outward to pure Be, increasing the confinement time at stagnation and lowering the temperature requirement at the ignition threshold. Here, we describe a PSS ignition design for the National Ignition Facility and use the theory as well as simulations to compare it with the low-Z capsule approach. Additionally, we show how an adjustment to the design is used to anticipate the effects of mixing at the fuel–ablator interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

High Performance Materials Applications to Moon/Mars Missions and Bases

Two classes of material processing scenarios will feature prominently in future interplanetary exploration: in situ production using locally available materials in lunar or planetary landings and high performance structural materials which carve out a set of properties for uniquely hostile space environments. To be competitive, high performance materials must typically offer orders of magnitude improvements in thermal conductivity or insulation, deliver high strength-to-weight ratios, or provide superior durability (low corrosion and/or ablative character, e.g., in heat shields). The space-related environmental parameters of high radiation flux, low weight, and superior reliability limits many typical aerospace materials to a short list comprising high performance alloys, nanocomposites and thin-layer metal laminates (Al-Cu, Al-Ag) with typical dimensions less than the Frank-Reed-type dislocation source. Extremely light weight carbon-carbon composites and carbon aerogels will be presented as novel examples which define broadened material parameters, particularly owing to their extreme thermal insulation (R-32-64) and low densities (<0.01 g/cu cm) approaching that of air itself. Even with these low-weight payload additions, rocket thrust limits and transport costs will always place a premium on assembling as much structural and life support resources upon interplanetary, lunar, or asteroid arrival. As an example, for in situ lunar glass manufacture, solar furnaces reaching 1700 C for pure silica glass manufacture in situ are compared with sol-gel technology and acid-leached ultrapure (<0.1% FeO) silica aerogel precursors.

Noever, David A.↗
NASA NTRS1998

High Performance Materials Applications to Moon/Mars Missions and Bases

Two classes of material processing scenarios will feature prominently in future interplanetary exploration- in situ production using locally available materials in lunar or planetary landings and high performance structural materials which carve out a set of properties for uniquely hostile space environments. To be competitive, high performance materials must typically offer orders of magnitude improvements in thermal conductivity or insulation, deliver high strength-to-weight ratios, or provide superior durability (low corrosion and/or ablative character, e.g. in heat shields). The space-related environmental parameters of high radiation flux, low weight and superior reliability limits many typical aerospace materials to a short list comprising high performance alloys, nanocomposites and thin-layer metal laminates (Al-Cu, Al-Ag) with typical dimensions less than the Frank-Reed-type dislocation source. Extremely light weight carbon-carbon composites and car on aerogels will be presented as novel examples which define broadened material parameters, particularly owing to their extreme thermal insulation (R-32-64) and low densities (less than 0.01 g/cc) approaching that of air itself. Even with these low weight payload additions, rocket thrust limits and transport costs will always place a premium on assembling as much structural and life support resources upon interplanetary, lunar or asteroid arrival. As an example for in situ lunar glass manufacture, solar furnaces reaching 1700 C for pure silica glass manufacture in situ are compared with sol-gel technology and acid-leached ultrapure (less than 0.1% FeO) silica aerogel precursors.

Noever, David A.↗
NASA NTRS2002

Acousto-ultrasonics to Assess Material and Structural Properties

This report was created to serve as a manual for applying the Acousto-Ultrasonic NDE method, as practiced at NASA Glenn, to the study of materials and structures for a wide range of applications. Three state of the art acousto-ultrasonic (A-U) analysis parameters, ultrasonic decay (UD) rate, mean time (or skewing factor, "s"), and the centroid of the power spectrum, "f(sub c)," have been studied and applied at GRC for NDE interrogation of various materials and structures of aerospace interest. In addition to this, a unique application of Lamb wave analysis is shown. An appendix gives a brief overview of Lamb Wave analysis. This paper presents the analysis employed to calculate these parameters and the development and reasoning behind their use. It also discusses the planning of A-U measurements for materials and structures to be studied. Types of transducer coupling are discussed including contact and non-contact via laser and air. Experimental planning includes matching transducer frequency range to material and geometry of the specimen to be studied. The effect on results of initially zeroing the DC component of the ultrasonic waveform is compared with not doing so. A wide range of interrogation problems are addressed via the application of these analysis parameters to real specimens is shown for five cases: Case 1: Differences in density in [0] SiC/RBSN ceramic matrix composite. Case 2: Effect of tensile fatigue cycling in [+/-45] SiC/SiC ceramic matrix composite. Case 3: Detecting creep life, and failure, in Udimet 520 Nickel-Based Super Alloy. Case 4: Detecting Surface Layer Formation in T-650-35/PMR-15 Polymer Matrix Composites Panels due to Thermal Aging. Case 5: Detecting Spin Test Degradation in PMC Flywheels. Among these cases a wide range of materials and geometries are studied.

Kautz, Harold E.↗
DOE OSTI2022

Large moments in BCC FExCOyMNz and other alloy thin films

Large magnetic moment compositions are formed by stabilizing ternary or other alloys with a epitaxial control layer. Compositions that are unstable in bulk specimen are thus stabilized and exhibit magnetic moments that are greater that a Slater-Pauling limit. In one example, FexCoyMnz layers are produced on an MgO(001) substrate with an MgO surface serving to control the structure of the FexCoyMnz layers. Magnetizations greater than 3 Bohr magnetons are produced.

Snow, Ryan L.↗
DOE OSTI2023

Real-Time Diagnostics of 2D Crystal Transformations by Pulsed Laser Deposition: Controlled Synthesis of Janus WSSe Monolayers and Alloys

Energetic processing methods such as hyperthermal implantation hold special promise to achieve the precision synthesis of metastable two-dimensional (2D) materials such as Janus monolayers; however, they require precise control. Here, we report a feedback approach to reveal and control the transformation pathways in materials synthesis by pulsed laser deposition (PLD) and apply it to investigate the transformation kinetics of monolayer WS 2 crystals into Janus WSSe and WSe 2 by implantation of Se clusters with different maximum kinetic energies (<42 eV/Se-atom) generated by laser ablation of a Se target. Real-time Raman spectroscopy and photoluminescence are used to assess the structure, composition, and optoelectronic quality of the monolayer crystal as it is implanted with well-controlled fluxes of selenium for different kinetic energies that are regulated with in situ ICCD imaging, ion probe, and spectroscopy diagnostics. First-principles calculations, XPS, and atomic-resolution HAADF STEM imaging are used to understand the intermediate alloy compositions and their vibrational modes to identify transformation pathways. The real-time kinetics measurements reveal highly selective top-layer conversion as WS 2 transforms through WS 2(1–x) Se 2x alloys to WSe 2 and provide the means to adjust processing conditions to achieve fractional and complete Janus WSSe monolayers as metastable transition states. The general approach demonstrates a real-time feedback method to achieve Janus layers or other metastable alloys of the desired composition, and a general means to adjust the structure and quality of materials grown by PLD, addressing priority research directions for precision synthesis with real-time adaptive control.

2D materials↗
DOE OSTI2026

Development of Industrial Scale Rare Earth Master Alloys from Their Native Oxides for Magnet Production

The objective of the project is to develop an energy-efficient, reduced cost, and single-step critical metal oxide reduction and alloying methodology for the production of NdFeB and SmCo magnets to facilitate the establishment of a sustainable domestic critical materials supply chain. The method consists of an immiscible molten salt flux layer and a higher density molten metal alloy pool (FeB or Co). The rare earth (RE) oxide and a reductant are added to the molten salt layer, where the reductant first strips the oxygen from the rare earth oxide. Subsequently, the separated RE metal diffuses into the molten metal pool below, creating a RE-saturated master alloy. Towards this end, thermodynamic calculations of the reactions between RE oxides, metallic reducing agent, and molten salt bath chemistry have been performed, and the ideal feeds and conditions for extraction and diffusion to produce master alloys were established. Small-scale and scaled experimentation was performed to validate and optimize the feasibility of viable reactions, temperatures, and process conditions with regards to yield, composition, and process efficiency. Finally, full-scale experiments for the production of NdFeB and SmCo magnets were performed, and their performance characteristics were established.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigation of breakaway corrosion observed during oxide growth in pure and low alloying element content Zr exposed in water at 360°C

The addition of small concentrations of alloying elements to pure zirconium can prevent nuclear fuel cladding material from undergoing unstable oxide growth in aqueous environments at light water reactor operating temperatures. The role of alloying elements in stabilizing the oxide growth is examined in this paper, to better understand the oxide growth stabilization mechanism. To this end, a set of initial, short-duration corrosion experiments were performed, followed by oxide layer characterization. Specifically, ten model Zr alloys were selected to test the effect of small alloying additions on the alloy corrosion rate and corrosion breakaway. Additionally, these alloys were corrosion tested in pure water in an autoclave at 360°C for up to 70 days. The alloys included crystal bar Zr, sponge Zr, and model alloys with small concentrations of Sn, Fe, and Cr. After testing, the alloys were characterized using scanning electron microscopy (SEM) and synchrotron µ-X-ray fluorescence (µXRF) to study how the structure of the oxide and alloying element distribution related to unstable oxide growth. Initial results in the 360°C water environment showed breakaway oxidation may be caused by unstable oxide growth due to heterogeneous distribution of the alloying elements. Heterogeneous distribution of alloying elements was correlated to the occurrence of unstable oxide growth (either nodule-like, grain boundary penetration, or differential grain-to-grain growth). It is possible that this heterogeneity, made possible by low alloying element content, can cause breakaway corrosion, but further study is warranted.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Improving Lithium Metal Composite Anodes with Seeding and Pillaring Effects of Silicon Nanoparticles

Metallic lithium (Li) anodes are crucial for the development of high specific energy batteries yet plagued by their poor cycling efficiency. Electrode architecture engineering is vital for maintaining a stable anode volume and suppress Li corrosion during cycling. In this paper, a reduced graphene oxide “host” framework for Li metal anodes is further optimized by embedding silicon (Si) nanoparticles between the graphene layers. They serve as Li nucleation seeds to promote Li deposition within the framework even without pre-stored Li. Meanwhile, the LixSi alloy particles serve as supporting “pillars” between the graphene layers, enabling a minimized thickness shrinkage after full stripping of metallic Li. Combined with a Li compatible electrolyte, 99.4% Coulombic efficiency over ~600 cycles is achieved, and stable cycling of a Li||NMC532 full cell for ~380 cycles with negligible capacity decay is realized.

Wang, Hansen↗
DOE OSTI2023

The microstructure and He + ion irradiation behavior of novel low-activation W-Ta-Cr-V refractory high entropy alloy for nuclear applications

Microstructure and nanohardness of a nearly equimolar W-Ta-Cr-V high entropy alloy (HEA), as well as its irradiation response under He + irradiation, were investigated. The single-phase body-centered cubic nanostructured alloy with a 1 µm thick layer was fabricated on a silicon substrate using a magnetron sputtering method. The HEA film has a complex microstructure consisting of micrometric domains that exhibit internal nanostructure controlled by their crystal orientation. The measured nanohardness of the W-Ta-Cr-V alloy is 13 ± 2 GPa, which significantly exceeds the hardness of nanocrystalline tungsten as a result of the high solid-solution strengthening effect. In order to evaluate the irradiation resistance of the HEA film, the material was irradiated with 200 keV He + ions at room temperature, with two different ion fluences: 1 × 10 16 and 5 × 10 16 ions/cm 2 . Using transmission electron microscopy, a high density of extremely fine He bubbles is observed that were uniformly distributed in the matrix. The increase of He + ion fluence increased the density of bubbles, whereas their size remained at a similar level, which indicates that the damage proceeds by the nucleation of additional He bubbles, not by their growth.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Design for Oxidation Resistance

Alloys intended for use in high-temperature environment rely on the formation of a continuous, compact, slow-growing oxide layer for oxidation and hot corrosion resistance. To be protective, this oxide layer must be chemically, thermodynamically stable. Successful alloy design for oxidative environment is best achieved by developing alloys that are capable of forming adherent scales of either alumina (Al2O3), chromia (Cr2O3), or silica (SiO2). In this article, emphasis has been placed on the issue related to high-temperature oxidation of superalloys used in gas turbine engine application. Despite the complexity of these alloys, optimal performance has been associated with protective alumina scale formation. As will be described below, both compositional makeup and protective coatings play key role in providing oxidation protection. Other high-temperature materials described include nickel and titanium aluminide intermetallics, refractory metal, and ceramics.

Smialek, James L.↗