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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Super-expansive thermo-reversible interstitial solid solution of nanocrystal superlattices with mesogens

Designing superlattices of nanocrystals to mimic and extend the properties of atomic crystals has been a long-standing motivation in materials chemistry. Interstitial solid solutions, such as steel, are well-studied atomic lattices in which mobile components move among the interstices. These materials exhibit unique properties, including reversible structural changes and phase transitions. Interstitial solid solutions possess unique dynamic structures and reversible responses, which motivate the creation of their colloidal equivalents. Here, in this study, we report a fully thermo-reversible colloidal interstitial solid solution by combining liquid crystals and nanocrystals functionalized with promesogenic ligands. Mesogen molecules fill and diffuse among the interstices of a superlattice, resulting in a super-large thermal expansivity. The approach uses a modular design of interparticle interactions, allowing control of interparticle distance, microstructure and transition between crystallographic forms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1972

Viscosity of atomic hydrogen.

New calculations of the viscosity of atomic hydrogen were carried out, and excellent agreement between these values and recent experimental results (Cheng and Blackshear, 1972) is pointed out. They made measurements of the viscosity of atomic hydrogen at four temperatures, using an iterative technique. Theoretical values for the transport properties of atomic hydrogen may be predicted reliably over a wide range of temperatures by use of Kolos and Wolniewicz potential energy functions (1965).

Allison, A. C.↗
NASA NTRS1998

Antiproton Trapping for Advanced Space Propulsion Applications

The Summary of Research parallels the Statement of Work (Appendix I) submitted with the proposal, and funded effective Feb. 1, 1997 for one year. A proposal was submitted to CERN in October, 1996 to carry out an experiment on the synthesis and study of fundamental properties of atomic antihydrogen. Since confined atomic antihydrogen is potentially the most powerful and elegant source of propulsion energy known, its confinement and properties are of great interest to the space propulsion community. Appendix II includes an article published in the technical magazine Compressed Air, June 1997, which describes CERN antiproton facilities, and ATHENA. During the period of this grant, Prof. Michael Holzscheiter served as spokesman for ATHENA and, in collaboration with Prof. Gerald Smith, worked on the development of the antiproton confinement trap, which is an important part of the ATHENA experiment. Appendix III includes a progress report submitted to CERN on March 12, 1997 concerning development of the ATHENA detector. Section 4.1 reviews technical responsibilities within the ATHENA collaboration, including the Antiproton System, headed by Prof. Holzscheiter. The collaboration was advised (see Appendix IV) on June 13, 1997 that the CERN Research Board had approved ATHENA for operation at the new Antiproton Decelerator (AD), presently under construction. First antiproton beams are expected to be delivered to experiments in about one year. Progress toward assembly of the ATHENA detector and initial testing expected in 1999 has been excellent. Appendix V includes a copy of the minutes of the most recently documented collaboration meeting held at CERN of October 24, 1997, which provides more information on development of systems, including the antiproton trapping apparatus. On February 10, 1998 Prof. Smith gave a 3 hour lecture on the Physics of Antimatter, as part of the Physics for the Third Millennium Lecture Series held at MSFC. Included in Appendix VI are notes and graphs presented on the ATHENA experiment. Portable antiproton trap has been under development. The goal is to store and transport antiprotons from a production site, such as Fermilab near Chicago, to a distant site, such as Huntsville, AL, thus demonstrating the portability of antiprotons.

Smith, Gerald A.↗
DOE OSTI2025

Atomic-resolution structural and spectroscopic evidence for the synthetic realization of two-dimensional copper boride

Since the first realization of borophene on Ag(111), two-dimensional (2D) boron nanomaterials have attracted substantial interest because of their polymorphic diversity and potential for hosting solid-state quantum phenomena. Here, we use atomic-resolution scanning tunneling microscopy (STM) and field-emission resonance (FER) spectroscopy to elucidate the structure and properties of atomically thin boron phases grown on Cu(111). Specifically, FER spectroscopy reveals charge transfer and electronic states that strongly differ from the decoupled borophene phases observed on silver, suggesting that the deposition of boron on copper results in strong covalent bonding characteristic of a 2D copper boride. This conclusion is reinforced by detailed STM characterization of line defects that are consistent with density functional theory calculations for atomically thin Cu8B14. This evidence for 2D copper boride is likely to motivate future synthetic efforts aimed at expanding the relatively unexplored family of atomically thin metal boride materials.

Science & Technology - Other Topics↗
DOE OSTI2022

Atomically Dispersed Platinum in Surface and Subsurface Sites on MgO Have Contrasting Catalytic Properties for CO Oxidation

Atomically dispersed metals on metal oxide supports are a rapidly growing class of catalysts. Developing an understanding of where and how the metals are bonded to the supports is challenging because support surfaces are heterogeneous, and most reports lack a detailed consideration of these points. In this work, we report two atomically dispersed CO oxidation catalysts having markedly different metal–support interactions: platinum in the first layer of crystalline MgO powder and platinum in the second layer of this support. Structural models have been determined on the basis of data and computations, including those determined by extended X-ray absorption fine structure and X-ray absorption near edge structure spectroscopies, infrared spectroscopy of adsorbed CO, and scanning transmission electron microscopy. The data demonstrate the transformation of surface to subsurface platinum as the temperature of sample calcination increased. Catalyst performance data demonstrate the lower activity but greater stability of the subsurface platinum than of the surface platinum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Structural and chemical disorder enhance point defect diffusion and atomic transport in Ni 3 Al-based γ' phase

The ordered L1 2 γ' Ni 3 Al intermetallic inclusions are routinely used as strengthening constituents in Ni-based superalloys and recent high-entropy alloys. As there are different metallic elements relative to the alloy matrix, the composition of γ' phase inclusions usually suffers some variations. In this work, we studied the elemental partition and its influence on atomic transport properties in a model (NiCo) 3 Al γ' phase with chemical and structural disorder. Combining the Monte Carlo and molecular static techniques, we first determined the elemental distribution in such compositionally-complexed γ' phase. The results suggest that Co tends to segregate, which profoundly influences defect energetics and diffusion properties. By modeling thermally activated diffusion by molecular dynamics, we found that chemical disorder induced by Co can enhance vacancy diffusion while significantly suppress diffusion via interstitial atom migration, as compared to the stoichiometric γ' Ni 3 Al. We further reveal that these observations are closely related to the defect energetics in these systems. Furthermore, our results explain the effects of disorder, long- and short-range orders on the diffusion properties in multicomponent intermetallic alloys, which helps to understand the stability and, thus, γ'-phase-assisted strengthening at different conditions including annealing and irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nanotubes from the Misfit Layered Compound (SmS) 1.19 TaS 2 : Atomic Structure, Charge Transfer, and Electrical Properties

Misfit layered compounds (MLCs) MX-TX 2 , where M, T = metal atoms and X = S, Se, or Te, and their nanotubes are of significant interest due to their rich chemistry and unique quasi-1D structure. In particular, LnX-TX 2 (Ln = rare-earth atom) constitute a relatively large family of MLCs, from which nanotubes have been synthesized. The properties of MLCs can be tuned by the chemical and structural interplay between LnX and TX 2 sublayers and alloying of each of the Ln, T, and X elements. In order to engineer them to gain desirable performance, a detailed understanding of their complex structure is indispensable. MLC nanotubes are a relative newcomer and offer new opportunities. In particular, like WS 2 nanotubes before, the confinement of the free carriers in these quasi-1D nanostructures and their chiral nature offer intriguing physical behavior. High-resolution transmission electron microscopy in conjunction with a focused ion beam are engaged to study SmS-TaS 2 nanotubes and their cross-sections at the atomic scale. The atomic resolution images distinctly reveal that Ta is in trigonal prismatic coordination with S atoms in a hexagonal structure. Furthermore, the position of the sulfur atoms in both the SmS and the TaS 2 sublattices is revealed. X-ray photoelectron spectroscopy, electron energy loss spectroscopy, and X-ray absorption spectroscopy are carried out. These analyses conclude that charge transfer from the Sm to the Ta atoms leads to filling of the Ta 5d z 2 level, which is confirmed by density functional theory (DFT) calculations. Transport measurements show that the nanotubes are semimetallic with resistivities in the range of 10 –4 Ω·cm at room temperature, and magnetic susceptibility measurements show a superconducting transition at 4 K.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Polyphenol-Sensitized Atomic Layer Deposition for Membrane Interface Hydrophilization

Improvements in energy-water systems will necessitate fabrication of high-performance separation membranes. To this end, interface engineering is a powerful tool for tailoring properties, and atomic layer deposition (ALD) has recently emerged as a promising and versatile approach. However, most non-polar polymeric membranes are not amenable to ALD processing due to the absence of nucleation sites. Here, a sensitization strategy for ALD-coating is presented, illustrated by membrane interface hydrophilization. Facile dip-coating with polyphenols effectively sensitizes hydrophobic polymer membranes to TiO2 ALD coating. Tannic acid-sensitized ALD-coated membranes exhibit outstanding underwater crude oil repulsion and rigorous mechanical stability through bending and rinsing tests. As a result, these membranes demonstrate outstanding crude oil-in-water separation and reusability compared to untreated membranes or those treated with ALD without polyphenol pretreatment. A possible polyphenol-sensitized ALD mechanism is proposed involving initial island nucleation followed by film intergrowth. This polyphenol sensitization strategy enriches the functionalization toolbox in material science, interface engineering, and environmental science.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Linear and Nonlinear Optical Properties of Iridium Nanoparticles Grown via Atomic Layer Deposition

Nonlinear optical phenomena enable novel photonic and optoelectronic applications. Especially, metallic nanoparticles and thin films with nonlinear optical properties offer the potential for micro-optical system integration. For this purpose, new nonlinear materials need to be continuously identified, investigated, and utilized for nonlinear optical applications. While noble-metal nanoparticles, nanostructures, and thin films of silver and gold have been widely studied, iridium (Ir) nanoparticles and ultrathin films have not been investigated for nonlinear optical applications yet. Here, we present a combined theoretical and experimental study on the linear and nonlinear optical properties of iridium nanoparticles deposited via atomic layer deposition (ALD). Linear optical constants, such as the effective refractive index and extinction coefficient, were evaluated at different growth stages of nanoparticle formation. Both linear and nonlinear optical properties of these Ir ALD coatings were calculated theoretically using the Maxwell Garnett theory. The third-order susceptibility of iridium nanoparticle samples was experimentally investigated using the z-scan technique. According to the experiment, for an Ir ALD coating with 45 cycles resulting in iridium nanoparticles, the experimentally determined nonlinear third-order susceptibility is about χ Ir (3) = (2.4 – i2.1) × 10 –17 m 2 /V 2 at the fundamental wavelength of 700 nm. The theory fitted to the experimental results predicts a 5 × 10 6 -fold increase around 230 nm. This strong increase is due to the proximity to the Mie resonance of iridium nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Probing the Mechanical Properties of 2D Materials via Atomic‐Force‐Microscopy‐Based Modulated Nanoindentation

Abstract As the field of low‐dimensional materials (1D or 2D) grows and more complex and intriguing structures are continuing to be found, there is an emerging need for techniques to characterize the nanoscale mechanical properties of all kinds of 1D/2D materials, in particular in their most practical state: sitting on an underlying substrate. While traditional nanoindentation techniques cannot accurately determine the transverse Young's modulus at the necessary scale without large indentations depths and effects to and from the substrate, herein an atomic‐force‐microscopy‐based modulated nanomechanical measurement technique with Angstrom‐level resolution (MoNI/ÅI) is presented. This technique enables non‐destructive measurements of the out‐of‐plane elasticity of ultra‐thin materials with resolution sufficient to eliminate any contributions from the substrate. This method is used to elucidate the multi‐layer stiffness dependence of graphene deposited via chemical vapor deposition and discover a peak transverse modulus in two‐layer graphene. While MoNI/ÅI has been used toward great findings in the recent past, here all aspects of the implementation of the technique as well as the unique challenges in performing measurements at such small resolutions are encompassed.

2D materials↗
DOE OSTI2023

Band Edge Excitons and Amplified Spontaneous Emission of Mercury Chalcogenide Nanoplatelets

Colloidal nanoplatelets of HgSe and HgTe prepared indirectly through cation exchange reactions can transfer many of the advantageous properties of atomically precise, 2D cadmium chalcogenides to the near-infrared (NIR) spectral window. In this work, HgSe and HgTe nanoplatelets are studied to understand their fundamental photophysical properties, particularly those areas of similarity and difference from cadmium-based NPLs, and to examine their potential as optical gain media. Similar to cadmium chalcogenide NPLs, low-temperature photoluminescence of HgTe NPLs displays two-color emission that depends on temperature, sample, fluence, excitation frequency, and irradiation time. Both HgTe and HgSe show nanosecond emission dynamics at temperatures as low as 2.5 K, with no indication that bright-dark excitonic splitting governs the low-temperature photoluminescence. Collectively, experimental data is most consistent with emission from a negative trion state at low temperature. Although the mercury chalcogenide nanoplatelets are shown to have broadened optical resonances compared to the cadmium chalcogenides from which they are derived, they retain slow Auger recombination and can display low-threshold amplified spontaneous emission in the NIR spectral window. Optical pumping thresholds for HgTe NPLs are observed as low as 4.4 µJ cm -2 and highlight the potential 2D nanoplatelets as gain medium in the near-infrared.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Elemental and layer based analysis of optical properties: A new technique applied to four MAX-phases

Here we present here a novel technique to calculate partial contributions to the optical properties by atoms, elements, and layers. Following the same methodology as the calculation of the partial density of states from the density of states, we have decomposed the optical properties into the partial optical properties. Using this technique the differences of elemental resolved optical properties as well as layer-resolved optical properties are displayed for both the 211 and 312 phases of TiSiC and TiAlC MAX-phase materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Diffusion, atomic transport, and ordering in Al-Zr alloys: FCC and liquid phases

Additive manufacturing of materials with controlled microstructure demands knowledge of atomic scale properties near the solid-liquid transition state. Many of these properties are not affordable by experimental techniques and computer modeling is the possible solution to the problem. In this paper, we present the results of an extended atomistic study of intrinsic atomic transport due to vacancy diffusion in FCC and L12 solid phases and diffusion in the liquid phase of Al-Zr alloys. A deceleration of the overall self-diffusion was observed when Zr was added to Al. The effect was stronger in the solid and weaker in the liquid. Additionally, the effect was strongly temperature dependent in the solid phases, but not in the liquid. Atomic transport was chemically biased: transport of Zr atoms was significantly slower than that of Al atoms, and this bias effect was stronger in the solid phases. The overall diffusion and chemical ordering processes in the liquid state were five to six orders in magnitude faster than in the solid. Chemical short-range order parameters in the liquid saturated at values close to those in the ordered L12 structure of Al3Zr. Chemical and structural ordering in the solid phases was negligible over the modeled microsecond time scale. Here, the results are discussed in view of optimizing additive manufacturing parameters for the controlled formation of metastable L1 2 precipitates.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Low Earth Orbital Atomic Oxygen Interactions With Spacecraft Materials

Atomic oxygen, formed in Earth s thermosphere, interacts readily with many materials on spacecraft flying in low Earth orbit (LEO). All hydrocarbon based polymers and graphite are easily oxidized upon the impact of approx.4.5 eV atomic oxygen as the spacecraft ram into the residual atmosphere. The resulting interactions can change the morphology and reduce the thickness of these materials. Directed atomic oxygen erosion will result in the development of textured surfaces on all materials with volatile oxidation products. Examples from space flight samples are provided. As a result of the erosive properties of atomic oxygen on polymers and composites, protective coatings have been developed and are used to increase the functional life of polymer films and composites that are exposed to the LEO environment. The atomic oxygen erosion yields for actual and predicted LEO exposure of numerous materials are presented. Results of in-space exposure of vacuum deposited aluminum protective coatings on polyimide Kapton indicate high rates of degradation are associated with aluminum coatings on both surfaces of the Kapton. Computational modeling predictions indicate that less trapping of the atomic oxygen occurs, with less resulting damage, if only the space-exposed surface is coated with vapor deposited aluminum rather than having both surfaces coated.

Banks, Bruce A.↗
NASA NTRS1994

Transparent conducting thin films for spacecraft applications

Transparent conductive thin films are required for a variety of optoelectronic applications: automotive and aircraft windows, and solar cells for space applications. Transparent conductive coatings of indium-tin-oxide (ITO)-magnesium fluoride (MgF2) and aluminum doped zinc oxide (AZO) at several dopant levels are investigated for electrical resistivity (sheet resistance), carrier concentration, optical properties, and atomic oxygen durability. The sheet resistance values of ITO-MgF2 range from 10(exp 2) to 10(exp 11) ohms/square, with transmittance of 75 to 86 percent. The AZO films sheet resistances range from 10(exp 7) to 10(exp 11) ohms/square with transmittances from 84 to 91 percent. It was found that in general, with respect to the optical properties, the zinc oxide (ZnO), AZO, and the high MgF2 content ITO-MgF2 samples, were all durable to atomic oxygen plasma, while the low MgF2 content of ITO-MgF2 samples were not durable to atomic oxygen plasma exposure.

Perez-Davis, Marla E.↗
NASA NTRS1985

Protection of solar array blankets from attack by low earth orbital atomic oxygen

The ram impact of low earth orbital atomic oxygen causes oxidation of spacecraft materials including polymers such as polyimides. The rate of oxidation is sufficiently high to potentially compromise the long term durability of Kapton solar array blankets. Ion beam sputter deposited atomic oxygen protective coatings of aluminum oxide, silicon dioxide, and codeposited silicon dioxide with small amounts of polytetrafluoroethylene were evaluated both in RF plasma asher tests and in low earth orbit. Deposition techniques, mechanical properties, and atomic oxygen protection performance are presented.

Banks, Bruce A.↗
DOE OSTI2022

Angle- and polarization-resolved luminescence from suspended and hexagonal boron nitride encapsulated MoSe 2 monolayers

The polarized photoluminescence from atomically thin transition metal dichalcogenides is a frequently applied tool to scrutinize optical selection rules and valley physics, yet it is known to sensibly depend on a variety of internal and external material and sample properties. In this work, we apply combined angle- and polarization-resolved spectroscopy to explore the interplay of excitonic physics and phenomena arising from the commonly utilized encapsulation procedure on the optical properties of atomically thin M o S e 2 . We probe monolayers prepared in both suspended and encapsulated manners. We show that the hBN encapsulation significantly enhances the linear polarization of exciton photoluminescence emission at large emission angles. This degree of linear polarization of excitons can increase up to ∼ <#comment/> 17 % <#comment/> in the hBN encapsulated samples. As we confirm by finite-difference time-domain simulations, it can be directly connected to the optical anisotropy of the hBN layers. In comparison, the linear polarization at finite exciton momenta is significantly reduced in a suspended M o S e 2 monolayer, and becomes notable only in cryogenic conditions. This phenomenon strongly suggests that the effect is rooted in the k-dependent anisotropic exchange coupling inherent in 2D excitons. Our results have strong implications on further studies on valley contrasting selection rules and valley coherence phenomena using standard suspended and encapsulated samples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗