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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Site-Controlled Quantum Emitters in Monolayer MoSe 2

Atomically thin semiconductors provide a highly attractive platform for quantum emitters (QEs): They can be combined with arbitrary substrates, can be spatially aligned with photonic structures, and can be electrically driven. All QEs reported to date in these materials have, however, relied on nominally spin-forbidden transitions, with radiative rates falling substantially below those of other solid-state QE systems. In this work, we employ strain confinement in monolayer MoSe 2 to produce engineered QEs, as confirmed in photon antibunching measurements. We discuss spin-allowed versus spin-forbidden transitions based on magneto- and time-resolved photoluminescence measurements. We calculate a radiative rate for spin-allowed quantum emission greater than 1 ns –1 , which exceeds reported radiative rates of WSe 2 QEs by 2 orders of magnitude.

2D materials↗
DOE OSTI2025

Dual-Wavelength Simultaneous Patterning of Degradable Thermoset Supports for One-Pot Embedded 3D Printing

Vat photopolymerization (VP) techniques have enabled the fabrication of complex geometries while balancing high precision and fast processing times. 3D printed objects are traditionally built layer-by-layer with newly cured layers being structurally supported by previous ones. Fabricating unsupported features such as overhangs and arches risks misalignment and sagging, limiting the range of accessible designs. To overcome this issue, support structures are fabricated along with the primary object as temporary scaffolds that provide stability and conserve print fidelity. For VP specifically, patterning dissolvable sacrificial supports is attractive to avoid manual removal after printing. In this study, we demonstrate a base-degradable thermoset to pattern print supports in a one-pot formulation along with the primary structural material. Efficient printing is enabled using a dual-wavelength negative imaging (DWNI) DLP printer that patterns the degradable thermoset with visible light and the permanent network with UV light, which are simultaneously projected using a single digital micromirror device (DMD). Printed objects undergo thermal postprocessing to enhance the final conversion of the primary material, after which thermoset supports are degraded in a basic, aqueous solution. This approach provides a robust method for the dual-wavelength patterning of sacrificial thermoset supports, broadening the range of accessible 3D printable materials and geometries.

3D printing↗
DOE OSTI2022

Sulfated Zirconium Metal–Organic Frameworks as Well-Defined Supports for Enhancing Organometallic Catalysis

Understanding heterogeneous catalysts is a challenging pursuit due to surface site nonuniformity and aperiodicity in traditionally-used materials. One example is sulfated metal oxides, which function as highly-active catalysts and as supports for organometallic complexes. These applications are due to traits such as acidity, ability to act as a weakly coordinating ligand, and aptitude for promoting transformations via radical cation intermediates. Research is ongoing about the structural features of sulfated metal oxides that imbue the aforementioned properties, such as sulfate geometry and coordination. To better understand these materials, metal–organic frameworks (MOFs) have been targeted as structurally-defined analogs. Composed of inorganic nodes and organic linkers, MOFs possess features such as high porosity and crystallinity, which make them attractive for mechanistic studies of heterogeneous catalysts. In this work, a Zr 6 -based MOF NU-1000 is sulfated and characterized using atomically-precise techniques such as single crystal X-ray diffraction (SCXRD) in addition to diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). Here, the dynamic nature of the sulfate binding motif is found to transition from monodentate, to bidentate, to tridentate depending on the degree of hydration, as supported by density functional theory (DFT) calculations. Heightened Brønsted acidity compared to the parent MOF was observed upon sulfation, and probed through trimethylphosphine oxide (TMPO) physisorption, ammonia sorption, in-situ ammonia DRIFTS, and DFT studies. With the support structure benchmarked, an organoiridium complex was chemisorbed onto the sulfated MOF node and the efficacy of this supported catalyst was demonstrated for stoichiometric and catalytic activation of benzene-d6 and toluene with structure-activity relationships derived.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural Asymmetry and Chiral-Induced Spin Selectivity in Chiral Palladium-Halide Semiconductors

Chiral Pb-free metal-halide semiconductors (MHSs) have attracted considerable attention in the field of spintronics due to various interesting spin-related properties and chiral-induced spin selectivity (CISS) effect. Despite their excellent chemical and structural tunability, the material scope and crystal structure of Pb-free chiral MHSs exhibiting the CISS effect are still limited; chiral MHSs that have metal-halide structures of octahedra and tetrahedra are only reported. Here, we report a new class of chiral MHSs, of which palladium (Pd)-halides are formed in 1D square-pyramidal structures or 0D square-planar structures, with a general formula of ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x (MBA = methylbenzylammonium; x = 0, 0.25, 0.5, 0.75, and 1) for the first time. The crystals adopt the 1D helical chain of Pd-halide square-pyramid (for x = 0, 0.25, 0.5, and 0.75) and 0D structure of Pd-halide square-plane (for x = 1). All the Pd-halides are distorted by the interaction between the halide and the chiral organic ammonium and arranged in a noncentrosymmetric position. Circular dichroism (CD) for ((R/S-MBA) 2 PdBr 4 ) 1-x ((R/S-MBA) 2 PdCl 4 ) x indicates that chirality was transferred from chiral organic ammonium to Pd-halide inorganics. ((R-MBA) 2 PdBr 4 ) 1-x ((R-MBA) 2 PdCl 4 ) x (x = 0, 0.25, 0.5, and 0.75) shows a distortion index of 0.127-0.128, which is the highest value among the previously reported chiral MHSs to the best of our knowledge. We also find that (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 crystals grow along the out-of-plane direction during spin coating and have high c-axis orientation and crystallinity, and (R/S-MBA) 2 Pd(Br 1-x Cl x ) 4 (x = 0 and 0.5) crystals exhibit a CISS effect in polycrystalline bulk films. In conclusion, these results demonstrate the possibility of a new metal-halide series with square-planar structures or square-pyramidal structures for future spintronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Atomically precise control of rotational dynamics in charged rare-earth complexes on a metal surface

Abstract Complexes containing rare-earth ions attract great attention for their technological applications ranging from spintronic devices to quantum information science. While charged rare-earth coordination complexes are ubiquitous in solution, they are challenging to form on materials surfaces that would allow investigations for potential solid-state applications. Here we report formation and atomically precise manipulation of rare-earth complexes on a gold surface. Although they are composed of multiple units held together by electrostatic interactions, the entire complex rotates as a single unit when electrical energy is supplied from a scanning tunneling microscope tip. Despite the hexagonal symmetry of the gold surface, a counterion at the side of the complex guides precise three-fold rotations and 100% control of their rotational directions is achieved using a negative electric field from the scanning probe tip. This work demonstrates that counterions can be used to control dynamics of rare-earth complexes on materials surfaces for quantum and nanomechanical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study

Dion–Jacobson (DJ) phase two-dimensional (2D) hybrid halide perovskites are promising for environmentally stable optoelectronic device applications due to their attractive photophysical properties, including long charge carrier lifetime and partially suppressed non-radiative losses. However, the atomistic details of the structure–property relationship are severely limited, which substantially restricts the strategic materials designed for these layered halide perovskites (LHPs). Here, we combine nonadiabatic molecular dynamics and time-domain density functional theory to understand the effects of spacer cation functionalization on the ground and excited-state charge carrier dynamics in DJ phase LHPs. Our in-depth study reveals that the fluorination of spacer cations considerably restricts the thermal motions of LHPs at ambient conditions. The compact structure weakens the overall electron–phonon interactions and reduces the thermal fluctuations of the band edges in real-time. These dynamic modifications partially mitigate the non-radiative recombination, prolonging the lifetime of photogenerated charge carriers. The suppressed carrier loss mechanism strongly suggests that the fluorinated spacer cation-based LHPs would exhibit enhanced performance as optoelectronic materials. These systematic simulations of excited state carrier dynamics elaborate that chemically viable functionalization of the spacer cations is a robust approach to improve the photophysical properties of 2D halide perovskites strategically. These insights also guide us to propose a few potential strategies to design highly beneficial spacer cations of LHPs that can be introduced in next-generation optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Atomic layer deposition of nickel sulfide thin films and their thermal and electrochemical stability

Nickel sulfides (NiS x ) show promise for a range of energy and other applications, but their (in)stability under processing and operating conditions is scarcely studied. Herein, we have developed a new NiS x atomic layer deposition process using an easily synthesized NiCl 2 (TMPDA) precursor (TMPDA = N,N,N′,N′-tetramethyl-1,3-propanediamine) with H 2 S. Thin films deposited at 165–225 °C consist mostly of the β-NiS phase and display low resistivity (∼40–120 μΩ cm), high purity (<3 at% impurities), and a rough morphology. The thermal stability of the NiS x thin films is studied using high-temperature X-ray diffraction, revealing that structural and compositional changes occur in reducing, inert, and oxidizing atmospheres at approximately 300–400 °C. Under electrochemical water splitting conditions, the films are unstable in acid due to dissolution, especially at oxidizing potentials. In an alkaline electrolyte, we do not observe Ni dissolution, but β-NiS transforms to Ni 3 S 2 under HER conditions, possibly supplemented with Ni and/or Ni(OH) 2 species. Under alkaline OER, all sulfur is lost and NiOOH is formed. In addition to offering an attractive, scalable route to the synthesis of NiS x thin films, our work highlights the importance of thermal and electrochemical (in)stability of sulfides as a crucial step for understanding and engineering materials for energy and other applications.

Mattinen, Miika [Univ. of Helsinki (Finland); Stan↗
DOE OSTI2021

Inertially enhanced mass transport using 3D-printed porous flow-through electrodes with periodic lattice structures

Significance The efficient utilization of electrical energy is an increasingly important challenge, especially as renewable energy sources become cheaper and demand increases. Electrochemical reactors utilizing flow-through electrodes (FTEs) provide an attractive path toward the efficient utilization of electrical energy. Their commercial viability and ultimate adoption hinge on attaining high current densities to drive cost competitiveness. There are limited opportunities for engineering FTE materials, as these are often random, disordered media. Alternatively, three-dimensional (3D)–printed FTEs provide the opportunity to quickly explore the impact of engineered electrode architectures on device performance. We demonstrate that 3D-printed FTEs have the potential to exceed the performance of conventional materials by using the expanded design freedom to engineer the internal flow.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Field-resolved space–time characterization of few-cycle structured light pulses

Accompanied by the rapid development of ultrafast laser platforms in recent decades, the spatiotemporal manipulation of ultrashort laser pulses has attracted much attention due to the potential for cutting-edge applications of structured light, including optical tweezers, optical communications, super-resolution imaging, time-resolved spectroscopy in molecules and quantum materials, and strong-field physics. Today, techniques capable of characterizing the full spatial, temporal, and polarization state properties of structured light are strongly desired. Here, we demonstrate a technique, termed 3D TIPTOE, for characterizing structured mid-infrared waveforms, which uses only a two-dimensional silicon-based image sensor as both the detector and the nonlinear medium. By combining the advantages of the sub-cycle time resolution afforded by nonlinear excitation and the spatial resolution inherent to the two-dimensional sensor, the 3D TIPTOE technique allows full characterization of structured electric fields, significantly reducing the complexity of detection compared to other techniques. The validity of the technique is established by measuring both few-cycle Bessel–Gaussian pulses and radially polarized femtosecond vector beams.

Liu, Yangyang (ORCID:0000000335205332)↗
NASA NTRS1980

Thermostructural analyses of structural concepts for hypersonic cruise vehicles

A matrix of structural concepts suitable for Mach 5 hydrogen-fueled hypersonic vehicles are defined, and a thermostructural analysis of each is presented. The thermal environment encountered in this flight regime mandates hot structures of superalloy materials or insulated structures using more conventional materials such as titanium, aluminum, and composites. This paper compares the thermostructural performance of several concepts. The various structures are initially sized to carry a 2.5 g subsonic maneuver load. The structural weights are determined, and these components are then evaluated in a transient heating program along with various thermal protection systems to determine the minimum weight combination. The temperature profiles generated for these minimum weight solutions are used as input to a structural analysis along with a model of the appropriate structural concept to calculate thermal stresses. Generally, hot structure concepts have higher thermal stresses. In most cases, the thermal stresses are below the yield strength of the material. It is shown that integral tanks have weights similar to nonintegral tank concepts for the same level of technology. Moreover, an insulated tubular aluminum-composite structure with nonintegral tanks appear attractive for near-term vehicles.

Taylor, A. H.↗
NASA NTRS1995

PZT Thin Film Piezoelectric Traveling Wave Motor

With the development of micro-electro-mechanical systems (MEMS), its various applications are attracting more and more attention. Among MEMS, micro motors, electrostatic and electromagnetic, are the typical and important ones. As an alternative approach, the piezoelectric traveling wave micro motor, based on thin film material and integrated circuit technologies, circumvents many of the drawbacks of the above mentioned two types of motors and displays distinct advantages. In this paper we report on a lead-zirconate-titanate (PZT) piezoelectric thin film traveling wave motor. The PZT film with a thickness of 150 micrometers and a diameter of 8 mm was first deposited onto a metal substrate as the stator material. Then, eight sections were patterned to form the stator electrodes. The rotor had an 8 kHz frequency power supply. The rotation speed of the motor is 100 rpm. The relationship of the friction between the stator and the rotor and the structure of the rotor on rotation were also studied.

Shen, Dexin↗
NASA NTRS2000

The Solar Convection Spectrum

I helped to complete a research project with NASA scientists Dr. David Hathaway (my mentor), Rick Bogart, and John Beck from the SOHO/SOI collaboration. Our published paper in 'Solar Physics' was titled 'The Solar Convection Spectrum' (April 2000). Two of my undergraduate students were named on the paper--Gavrav Khutri and Josh Petitto. Gavrav also wrote a short paper for the National Conference of Undergraduate Research Proceedings in 1998 using a preliminary result. Our main result was that we show no evidence of a scale of convection named 'mesogranulation'. Instead, we see only direct evidence for the well-known scales of convection known as graduation and supergranulation. We are also completing work on vertical versus horizontal flow fluxes at the solar surface. I continue to work on phase relationships of solar activity indicators, but I have not yet written a paper with my students on this topic. Along with my research results, I have developed and augmented undergraduate courses at Birmingham-Southern College by myself and with other faculty. We have included new labs and observations, speakers from NASA and elsewhere, new subject material related to NASA and space science. I have done a great deal of work in outreach, mostly as President and other offices in the Birmingham Astronomical Society. My work includes speaking, attracting speakers, giving workshops, and governing.

Bachmann, Kurt T.↗
NASA NTRS1987

Space Technology for Deepwater Divers

Can-Dive Services Ltd.'s Newtsuit offers several features that the Canadian company feels will attract divers and their employers. Although it is a hard shell armored suit, it is a relatively light 400 pounds made of aluminum. Future Newtsuits may be made of carbon fiber composite material that is lighter, yet stronger than steel. It has a constant pressure of one atmosphere meaning the pressure all the way down to the suits 1,000 feet limit will be the same as on the surface. Newtsuit, like a spacesuit, has a self contained backpack breathing system with a duration of 48 hours. It employs a series of patented low friction fluidic joints designed to make underwater motion easier and permit 75 percent; normal human mobility.

Source record↗
NASA NTRS2012

Are the Basins of Tui Regio and Hotei Arcus Sites of Former Titanian Seas?

Features observed in the basins of Tui Regio and Hotei Arcus on Titan have attracted the attention of the Cassini-era investigators. At both locations, VIMS observed discrete 5-micron bright approx.500-km wide features described as lobate in shape. Several studies have proposed that these materials are cryo-volcanic flows; in the case of the Hotei Arcus feature this inference was buttressed with SAR RADAR images showing bright and dark patches with lobate margins. We propose an alternative explanation. First we note that all landforms on Titan that are unambiguously identifiable can be explained by exogenic processes (aeolian, fluvial, impact cratering, and mass wasting). Suggestions of endogenically produced cryovolcanic constructs and flows have, without exception, lacked conclusive diagnostic evidence. Recently published topographic profiles across Tui Regio and the lobate feature region north of Hotei Arcus indicate these features appear to occur in large regional basins, at least along the direction of the profiles. SAR images show that the terrains surrounding both 5-micron bright features exhibit fluvial networks that appear to converge and debauch into the probable basins. The 5-micron bright features themselves correspond to fields of discrete radar-bright depressions whose bounding edges are commonly rounded and cumulate in planform in SAR images. These fields of discrete radar-bright depressions strongly resemble fields of features seen at Titan s high latitudes usually attributed to be dry lakes. Thus the combination of (1) the resemblance to high-latitude dry lakes, (2) location in the centers of probable regional depressions, and (3) convergence of fluvial networks are inferred by us to best explain the 5-micron bright regions at Tui Regio and Hotei Arcus as sites of dry seas or at least paleolake clusters. Such equatorial seas, if real, may be evidence of substantially larger inventories of liquid alkanes in Titan s past.

Moore, Jeffrey Morgan↗
NASA NTRSDate not supplied

Space Qualification Studies of AOTF Devices Under the MISSE-11 Mission

The acousto-optic tunable filter (AOTF) devices are used in a variety of applications including hyperspectral and spectrapolarimetric based imaging. The AOTF devices provide several advantages including speed and random access to desired spectral bands and enable all-solid-state operation that are attractive for space applications. In this paper, the performance of Tellurium Dioxide (TeO 2 ) and Mercurous Bromide (Hg 2 Br 2 ) AOTF devices in space environment carried out under the NASA’s Materials International Space Station Experiments 11 (MISSE-11) mission is discussed. The purpose of the MISSE-11 mission was to study materials and devices subjected to space conditions for long term while attached to the International Space station (ISS). The TeO 2 AOTF was developed for short wavelength IR (SWIR) operation while the Hg 2 Br 2 AOTF device was developed for long wavelength IR (LWIR) operation. These devices were attached to the ISS platform for more than a year. Pre-flight and post-flight performance characterization were performed on these devices. In the case of TeO 2 AOTF, the preflight efficiency was around 87% with a center frequency at 68MHz while the post-flight efficiency was around 83%. However, the optical transmission of Hg 2 Br 2 AOTF had deteriorated considerably. The details of performance testing and analysis of both AOTF devices are discussed.

Space Qualification↗
DOE OSTI2022

Native and radiation induced point defects in AlN and Sc-doped AlN

Herein, we have performed first-principles calculations to investigate the electronic structure, configurations, formation, and binding energies of native and radiation induced point defects in pristine and Sc-doped wurtzite AlN. For the native defects, the nitrogen vacancy has the lowest formation energy in p-type material while the aluminum vacancy has the lowest formation energy in n-type material which is consistent with the previous studies. Several interstitial defect structures were modeled for Al, N, and Sc atoms. The effects of charge state on their relative stability were investigated. The binding energy of Sc with point defects was calculated and found to be dependent strongly on the defect type and charge state. The results obtained are discussed in light of the possible Sc effects on the radiation damage evolution in AlN. Thus the attraction of Sc atom to N vacancy and both Al and N interstitials reduces their mobility and increases Frenkel pair recombination distance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A simple model for short-range ordering kinetics in multi-principal element alloys

Short-range ordering (SRO) in multi-principal element alloys influences material properties such as strength and corrosion. While some degree of SRO is expected at equilibrium, predicting the kinetics of its formation is challenging. We present a simplified isothermal concentration-wave (CW) model to estimate an effective relaxation time of SRO formation. Estimates from the CW model agree to within a factor of five with relaxation times obtained from kinetic Monte Carlo (kMC) simulations when above the highest ordering instability temperature. Further, the advantage of the CW model is that it only requires mobility and thermodynamic parameters, which are readily obtained from alloy mobility databases and Metropolis Monte Carlo simulations, respectively. The simple parameterization of the CW model and its analytical nature makes it an attractive tool for the design of processing conditions to promote or suppress SRO in multicomponent alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Electric Drive Technologies Research: Bottom-Up Soft Magnetic Composites (FY2022 Annual Progress Report)

In order to meet 2025 goals for enhanced peak power (100 kW), specific power (50 kW/L), and reduced cost (3.3 $\$$/kW) in a motor that can operate at ≥ 20,000 rpm, improved soft magnetic materials must be developed. Better performing soft magnetic materials will also enable rare earth free electric motors. In fact, replacement of permanent magnets with soft magnetic materials was highlighted in the Electrical and Electronics Technical Team (EETT) Roadmap as a R&D pathway for meeting 2025 targets. Eddy current losses in conventional soft magnetic materials, such as silicon steel, begin to significantly impact motor efficiency as rotational speed increases. Soft magnetic composites (SMCs), which combine magnetic particles with an insulating matrix to boost electrical resistivity (ρ) and decrease eddy current losses, even at higher operating frequencies (or rotational speeds), are an attractive solution. Today, SMCs are being fabricated with values of ρ ranging between 10 -3 to 10 -1 μohm∙m, which is significantly higher than 3% silicon steel (~0.05 μohm∙m). The isotropic nature of SMCs is ideally suited for motors with 3D flux paths, such as axial flux motors. Additionally, the manufacturing cost of SMCs is low and they are highly amenable to advanced manufacturing and net-shaping into complex geometries, which further reduces manufacturing costs. There is still significant room for advancement in SMCs, and therefore additional improvements in electrical machine performance. For example, despite the inclusion of a non-magnetic insulating material, the electrical resistivities of SMCs are still far below that of soft ferrites (10 – 10 8 μohm∙m).

33 ADVANCED PROPULSION SYSTEMS↗