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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Cr(III) adsorption by cluster formation on boehmite nanoplates in highly alkaline solution

The development of advanced functional nanomaterials for selective adsorption in complex chemical environments requires partner studies of binding mechanisms. Motivated by observations of selective Cr(III) adsorption on boehmite nanoplates (?-AlOOH) in highly caustic multicomponent solutions of nuclear tank waste, here we unravel the adsorption mechanism in molecular detail. We examined Cr(III) adsorption to synthetic boehmite nanoplates in sodium hydroxide solutions up to 3 M, using a combination of XRD, Raman, XPS, STEM, EELS, HR-AFM, TOF-SIMS, Cr K-edge XANES/EXAFS, and EPR. Adsorption isotherms and kinetics were successfully fit to Langmuir and pseudo-second-order kinetic models, respectively, consistent with monotonic uptake of Cr(OH)4- monomers until saturation coverage of approximately half the aluminum surface site density. High resolution AFM revealed monolayer cluster self-assembly on the (010) basal surfaces with increasing Cr(III) loading, possessing a structural motif similar to ?-CrOOH, stabilized by corner-sharing Cr-O-Cr bonds and attached to the surface with edge-sharing Cr-O-Al bonds. The selective uptake appears related to short-range surface templating effects, with bridging metal connections likely enabled by hydroxyl anion ligand exchange reactions at the surface. Such a cluster formation mechanism, which stops short of more laterally extensive heteroepitaxy, could be a metal discrimination mechanism more prevalent than currently recognized.

Cui, Wenwen↗
DOE OSTI2017

On-Surface Synthesis and Characterization of 9-Atom Wide Armchair Graphene Nanoribbons

The bottom-up approach to synthesize graphene nanoribbons strives not only to introduce a band gap into the electronic structure of graphene but also to accurately tune its value by designing both the width and edge structure of the ribbons with atomic precision. Within this paper, we report the synthesis of an armchair graphene nanoribbon with a width of nine carbon atoms on Au(111) through surface-assisted aryl–aryl coupling and subsequent cyclodehydrogenation of a properly chosen molecular precursor. By combining high-resolution atomic force microscopy, scanning tunneling microscopy, and Raman spectroscopy, we demonstrate that the atomic structure of the fabricated ribbons is exactly as designed. Angle-resolved photoemission spectroscopy and Fourier-transformed scanning tunneling spectroscopy reveal an electronic band gap of 1.4 eV and effective masses of ≈0.1 m e for both electrons and holes, constituting a substantial improvement over previous efforts toward the development of transistor applications. We use ab initio calculations to gain insight into the dependence of the Raman spectra on excitation wavelength as well as to rationalize the symmetry-dependent contribution of the ribbons’ electronic states to the tunneling current. Lastly, we propose a simple rule for the visibility of frontier electronic bands of armchair graphene nanoribbons in scanning tunneling spectroscopy.

36 MATERIALS SCIENCE↗
NASA NTRS2001

The Development of Surface Roughness and Implications for Cellular Attachment in Biomedical Applications

The application of a microscopic surface texture produced by ion beam sputter texturing to the surfaces of polymer implants has been shown to result in significant increases in cellular attachment compared to smooth surface implants in animal studies. A collaborative program between NASA Glenn Research Center and the Cleveland Clinic Foundation has been established to evaluate the potential for improving osteoblast attachment to surfaces that have been microscopically roughened by atomic oxygen texturing. The range of surface textures that are feasible depends upon both the texturing process and the duration of treatment. To determine whether surface texture saturates or continues to increase with treatment duration, an effort was conducted to examine the development of surface textures produced by various physical and chemical erosion processes. Both experimental tests and computational modeling were performed to explore the growth of surface texture with treatment time. Surface texturing by means of abrasive grit blasting of glass, stainless steel, and polymethylmethacry I ate surfaces was examined to measure the growth in roughness with grit blasting duration by surface profilometry measurements. Laboratory tests and computational modeling was also conducted to examine the development of texture on Aclar(R) (chlorotfifluoroethylene) and Kapton(R) polyimide, respectively. For the atomic oxygen texturing tests of Aclar(R), atomic force microscopy was used to measure the development of texture with atomic oxygen fluence. The results of all the testing and computational modeling support the premise that development of surface roughness obeys Poisson statistics. The results indicate that surface roughness does not saturate but increases as the square root of the treatment time.

Banks, Bruce↗
NASA NTRS1999

An overview of vertebrate mineralization with emphasis on collagen-mineral interaction

The nucleation, growth, and development of mineral crystals through their interaction principally with collagen in normal bone and calcifying tendon have been elaborated by applying a number of different techniques for analysis of the inorganic and organic constituents of these tissues. The methods have included conventional and high voltage electron microscopy, electron diffraction, microscopic tomography and 3D image reconstruction, and atomic force microscopy. This summary presents results of these studies that have now characterized the size, shape, and aspects of the chemical nature of the crystals as well as their orientation, alignment, location, and distribution with respect to collagen. These data have provided the means for understanding more completely the formation and strength of the collagen-mineral composite present in most vertebrate calcifying tissues and, from that information, a basis for the adaptation of such tissues under mechanical constraints. In the context of the latter point, other data are given showing effects on collagen in bone cell cultures subjected to the unloading parameters of spaceflight. Implications of these results may be particularly relevant to explaining loss of bone by humans and other vertebrate animals during missions in space, during situations of extended fracture healing, long-term bedrest, physical immobilization, and related conditions. In a broader sense, the data speak to the response of bone and mineralized vertebrate tissues to changes in gravitational loading and applied mechanical forces in general.

Non-NASA Center↗
DOE OSTI2019

Deposition of Nb3Sn films by multilayer sequential sputtering for SRF cavity application

Nb3Sn is considered as an alternative of Nb for SRF accelerator cavity application due to its potential to obtain higher quality factors and higher accelerating gradients at a higher operating temperature. Magnetron sputtering is one of the effective techniques that can be used to fabricate Nb3Sn on SRF cavity surface. We report on the surface properties of Nb3Sn films fabricated by sputtering multiple layers of Nb and Sn on sapphire and niobium substrates followed by annealing at 950°C for 3 h. The crystal structure, film microstructure, composition and surface roughness were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and atomic force microscopy (AFM). The RF performance of the Nb3Sn coated Nb substrates were measured by a surface impedance characterization system. We also report on the design of a multilayer sputter deposition system to coat a single-cell SRF cavity.

Sayeed, Md. N.↗
DOE OSTI2019

Imaging of Unstained DNA Origami Triangles with Electron Microscopy

Imaging of scaffolded DNA and DNA origami nanostructures has been dominated by atomic force microscopy of samples immobilized on bulk substrates. Less commonly used for DNA imaging are electron microscopy techniques, which are typically carried out either after negative staining of DNA or by direct imaging using a bright field cryo-TEM. Here, direct imaging of unstained DNA origami nanostructures on thin electron-transparent substrates utilizing high angular annular dark field scanning transmission electron microscopy )(HAADFSTEM) is reported. This approach establishes a simple method for depositing and imaging intact DNA triangles with mass-thickness contrast, sufficient to measure the scaffold-to-scaffold distances and the length of the triangle’s seam. The signal-to-noise ratio (SNR) of the DNA supported on amorphous carbon as a function of the carbon thickness is measured on three types of commercially available TEM grids to analyze the image resolution. This allows for an edge detection of ~1 nm height DNA triangles on carbon substrates as thick as ~25 nm. Additional observations on the effect on SNR with the imaging modes are discussed. The effect of cation concentration used for pre-treating the grid surface on the image resolution is also explored. Our work presents proof-of-concept results demonstrating that electron microscopy can be utilized to resolve key elements of the DNA origami triangle, without staining or employing exceedingly complicated preparation protocols.

Londono-Calderon, Alejandro↗
DOE OSTI2022

Local nm-Scale Imaging of Electrical Contact for Series Resistance Degradation of Silicon Solar Cells

We report on an electrical conduction mechanism for series resistance (Rs) degradation observed in a utility scale solar farm by nm-scale imaging of the local resistance at the Ag/Si interface of c-Si cell front metallization. Our previous work showed that the I-V measurement of individual cells demonstrated exclusively the cell Rs degradation, and the "beads pattern" of electroluminescence indicated the degradation at the Ag grid of front metallization. Scanning spreading resistance microscopy (SSRM) imaging, which is based on the contact mode of atomic force microscopy and taken on the cross-sections of Ag/Si contact, revealed the electrical conduction pathway of Ag particles in point or small area contact with Si cell emitter. The SSRM results illustrated that the number of electrical contacts in the degraded cell decreased largely compared with the unaffected cell, demonstrating the direct cause of the Rs degradation. This reduction in electrical contact in the degraded cell could be caused by a structural change in the Ag grid during long-term field service: The Ag particles in contact with Si aggregate into the Ag bulk and a highly resistive ceramic oxide is formed in a "belt" shape at the Ag/Si interface. This resistive belt with a thickness of ~1 m blocks the current conduction from cell emitter to the Ag grid. The degraded cell shows both a morphological and chemical difference in the screen-printed finger contact compared to the unaffected cell, which likely caused the different degradation susceptibility during the long-term field service. Our results demonstrate an example of the multi-scale characterization approach for understanding photovoltaic degradation mechanisms.

ENGINEERING,SOLAR ENERGY↗
DOE OSTI2025

Evidence for In-Plane Electrical Polarization in 3R-β’-In 2 Se 3 Thin Films Grown by Molecular Beam Epitaxy

β-In 2 Se 3 has been identified as a potential ferroelectric. This work describes the growth of β-In 2 Se 3 via molecular beam epitaxy along with a description of its properties, including the search for switchable polarization in 3R-β’-In2Se3. The thin-film morphology, crystal structure, and phase maps of β-In 2 Se 3 on Si(111) and Al 2 O 3 (0001) were evaluated by atomic force microscopy, X-ray diffraction, and Raman spectroscopy as a function of the atomic Se/In flux ratio and growth temperature. Smooth β-In 2 Se 3 thin films were successfully realized on Si(111) at a substrate temperature of 150 °C using a Se/In flux ratio of 5.7, as well as on Al 2 O 3 (0001) at 450 °C using a Se/In flux ratio of 5.5. Scanning transmission electron microscopy (STEM) confirms the 3R polytype of β-In 2 Se 3 in films on both substrates, with a minor disorder associated with the 2H polytype at the interface. Indications of in-plane Se atom displacements characteristic of the 3R-β’-In 2 Se 3 polytype were found by STEM and second harmonic generation analysis in films on Al 2 O 3 (0001), but not in films on Si(111). Furthermore, attempts at electrical polarization switching did not produce compelling evidence for ferroelectricity. Instead, electrical transport measurements demonstrated locally varying anisotropic responses with the applied electric fields along different in-plane directions, with some hysteresis associated with the trapping of charges.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Epitaxial registry and transport properties in V4O7 thin films

We report the growth of V4O7 thin films deposited simultaneously on amorphous SiO2 and crystalline c-cut Al2O3 substrates. x-ray diffraction shows that films grown on SiO2 are polycrystalline with no preferred orientation, while films grown on Al2O3 exhibit a well-defined out-of-plane orientation and an in-plane registry consistent with epitaxial growth. Transmission electron microscopy confirms the crystallographic relationship between the V4O7 film and the Al2O3 substrate. Atomic force microscopy indicates substantially lower surface roughness for films grown on Al2O3 (~6 nm) compared to those grown on SiO2 (~22 nm), and Raman spectroscopy confirms stabilization of the same V4O7 phase on both substrates. Electrical transport measurements reveal a metal–insulator transition near 244 K for both substrates, with thermal hysteresis not exceeding ~1 K. Although the transition temperature remains essentially unchanged, films grown on Al2O3 exhibit higher conductivity over the entire temperature range, exceeding that of films grown on SiO2 by approximately two orders of magnitude at 100 K and by a factor of five at 300 K. These results indicate that the conductivity differences are consistent with variations in microstructural connectivity associated with crystallographic order.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Degradation science: Integrating modeling and experiments to predict localized corrosion processes (Annual Progress Report)

Additively manufactured (AM) eutectic high-entropy alloys (EHEAs), such as nano-lamellar AlCoCrFeNi 2.1 , have excellent strength, ductility, and wear resistance even at elevated temperatures, but their corrosion behavior in aggressive acids at different length scales remain poorly understood. This work investigates the corrosion behavior of laser powder bed–fused (L-PBF) AlCoCrFeNi 2.1 as a function of annealing temperatures, probing degradation mechanisms from nanoscopic to macroscopic length scales. The alloy is dual phase consisting of a ductile FCC L1 2 phase and a high-strength BCC B2 phase. Rapid solidification during L-PBF produces a far-from-equilibrium nano-lamellar structure with nearly homogeneous elemental distribution, which tends to evolve upon annealing toward Cr/Co/Fe-enriched FCC and Al/Ni-enriched B2. Three conditions were studied: as-printed, 600 °C/5 h, and 1000 °C/1 h, over which B2 lamellae coarsen, lamellar spacing increases, and elemental segregation becomes more prominent. Microstructure and chemistry were characterized by scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS), while in-situ electrochemical atomic force microscopy (EC-AFM) was used to link early (<5 h) local dissolution to microstructure after exposure in sulfuric acid. EC-AFM highlights preferential dissolution of the BCC/B2 phase where the surrounding matrix is Cr-depleted and directly quantifies the dissolution rates within individual phases, tracks the transition from early nano-scale attack to partial repassivation, to correlate height differences with current and impedance responses. To monitor longer-term behavior (up to 96 h), ex-situ AFM, SEM, and confocal imaging were combined with conventional bulk electrochemical tests, bridging nanoscale observations to micro/meso-scale damage morphologies. At the meso-scale, the deepest dissolution channels align with the build-direction lamellae and melt-pool boundaries, indicating that printing directionality guides the propagation of these localized corrosion sites. Annealing modifies corrosion by restructuring BCC/FCC phase fractions, lamellar spacing, and Cr/Al segregation, thereby changing the cathode/anode ratio and passive film stability. The results clarify how as-printed and annealed nano-lamellar architectures differ in their susceptibility to selective dissolution; how elemental segregation competes with residual stresses along the build direction. With these insights, future work will use CALPHAD-guided alloy modification to stabilize higher Cr contents in the B2 phase while retaining a dominant FCC+B2/BCC microstructure, with the goal of designing mechanically robust, corrosion-resistant EHEAs for safety-critical applications to leverage the LLNL’s broader national and global security mission.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tunable Magnetic Coupling in Graphene Nanoribbon Quantum Dots

Abstract Carbon‐based quantum dots (QDs) enable flexible manipulation of electronic behavior at the nanoscale, but controlling their magnetic properties requires atomically precise structural control. While magnetism is observed in organic molecules and graphene nanoribbons (GNRs), GNR precursors enabling bottom‐up fabrication of QDs with various spin ground states have not yet been reported. Here the development of a new GNR precursor that results in magnetic QD structures embedded in semiconducting GNRs is reported. Inserting one such molecule into the GNR backbone and graphitizing it results in a QD region hosting one unpaired electron. QDs composed of two precursor molecules exhibit nonmagnetic, antiferromagnetic, or antiferromagnetic ground states, depending on the structural details that determine the coupling behavior of the spins originating from each molecule. The synthesis of these QDs and the emergence of localized states are demonstrated through high‐resolution atomic force microscopy (HR‐AFM), scanning tunneling microscopy (STM) imaging, and spectroscopy, and the relationship between QD atomic structure and magnetic properties is uncovered. GNR QDs provide a useful platform for controlling the spin‐degree of freedom in carbon‐based nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗
NASA NTRS2000

The Effect of Low Earth Orbit Atomic Oxygen Exposure on Phenylphosphine Oxide-Containing Polymers

Thin films of phenylphosphine oxide-containing polymers were exposed to low Earth orbit aboard a space shuttle flight (STS-85) as part of flight experiment designated Evaluation of Space Environment and Effects on Materials (ESEM). This flight experiment was a cooperative effort between the NASA Langley Research Center (LaRC) and the National Space Development Agency of Japan (NASDA). The thin film samples described herein were part of an atomic oxygen exposure experiment (AOE) and were exposed to primarily atomic oxygen (~1 X 1019 atoms/cm2). The thin film samples consisted of three phosphine oxide containing polymers (arylene ether, benzimidazole and imide). Based on post-flight analyses using atomic force microscopy, X-ray photoelectron spectroscopy, and weight loss data, it was found that atomic oxygen exposure of these materials efficiently produces a phosphate layer at the surface of the samples. This layer provides a barrier towards further attack by AO. Consequently, these materials do not exhibit linear erosion rates which is in contrast with most organic polymers. Qualitatively, the results obtained from these analyses compare favorably with those obtained from samples exposed to atomic oxygen and or oxygen plasma in ground based exposure experiments. The results of the low Earth orbit atomic oxygen exposure on these materials will be compared with those of ground based exposure to AO.

Connell, John W.↗
DOE OSTI2025

Au assisted smooth ultrathin epitaxial ZnO film grown by pulsed laser deposition on sapphire(0001)

High quality ZnO has applications in photonics and electronics. Literature has shown that continuous, but rough ZnO film can be grown on sapphire substrate by pulsed laser deposition (PLD). In this work, ZnO and Au were co-deposited by PLD on sapphire(0001) substrates from a single ZnO target overlaid with an Au strip that serves as a catalyst. The reflection high-energy electron diffraction (RHEED) patterns show paired double stripes from sample of ZnO-Au where the difference of in-plane lattice parameters between ZnO and Au is 11.4 %. The two-dimensional (2D) reciprocal space maps constructed from azimuthal RHEED (ARHEED) patterns reveal parallel epitaxial relationship between ZnO and Au in the continuous ZnO-Au film on sapphire substrate. Transmission electron microscopy (TEM) cross section images and energy dispersive spectroscopy maps show a minute amount of Au nanocrystals distributed in the entire ultrathin ZnO film. Atomic force microscopy shows the root-mean-square roughness of the surface of ultrathin ZnO film with Au is in the sub-nm range. The ARHEED and TEM results show that a couple of atomic percentages of Au co-deposited with ZnO catalyzes the growth of smooth ultrathin epitaxial ZnO film.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides

Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in transmission electron microscopy studies. Consequently, unexpected optical, transport, and catalytic properties in 2D-TMDs have been attributed to in-gap states associated with chalcogen vacancies, even in the absence of direct experimental evidence. Here, we combine low-temperature non-contact atomic force microscopy, scanning tunneling microscopy and spectroscopy, and state-of-the-art ab initio density functional theory and GW calculations to determine both the atomic structure and electronic properties of an abundant chalcogen-site point defect common to MoSe 2 and WS 2 monolayers grown by molecular beam epitaxy and chemical vapor deposition, respectively. Surprisingly, we observe no in-gap states. Our results strongly suggest that the common chalcogen defects in the described 2D-TMD semiconductors, measured in vacuum environment after gentle annealing, are oxygen substitutional defects, rather than vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Contact Mechanics of a Small Icosahedral Virus

A virus binding to a surface causes stress of the virus cage near the contact area. Here, we investigate the potential role of substrate-induced structural perturbation in the mechanical response of virus particles to adsorption. This is particularly relevant to the broad category of viruses stabilized by weak noncovalent interactions. We utilize atomic force microscopy to measure height distributions of the brome mosaic virus upon adsorption from solution on atomically flat substrates and present a continuum model that captures our observations and provides estimates of elastic properties and of the interfacial energy of the virus, without recourse to indentation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2001

Inexpensive Method for Growing Unidirectional Oriented Materials Using Friction-Transferred Poly(tetrafluoroethylene) Substrates

In recent years, there has been an increasing interest in properties of unidirectional materials grown on highly oriented polymer surfaces such as the poly(tetrafluoroethylene) (PTFE) films coated onto smooth glass surfaces. In this technique, a thin PTFE film is deposited by sliding or rubbing a Teflon bar over a heated glass surface at a specific temperature. Depending on the pressure, temperature and sliding rate the thickness of deposited layers can be varied from 30 A to 150 A. The PTFE-coated substrate is simple yet surprising versatile for oriented growth of many organic, inorganic and polymer. The significant aspect of PTFE films is their unusual ability to molecularly align a wide variety of materials grown onto them from solution, melt or vapor phase deposition, at temperature below the melting point of PTFE (approx. 340 C). The PTFE structure may be derived, in part, from the multitude of ridges forming in the film and these ridges can presumably provide effective nucleation sites to induce the unidirectional growth of variety of materials. Electron diffraction studies of these films revealed that the PTFE macromolecules are oriented parallel to each other along the sliding direction. Direct observation of the film thickness, molecular structure and individual fluorine atoms from these highly oriented films were achieved using atomic force microscopy (AFM). In this paper, we also report the first direct observation of individual fluorine atoms, and the measurement of the fluorine-helix and carbon-helix radii to be 1.70 A and 0.54 A, respectively.

Lee, Jonathan A.↗
DOE OSTI2021

Atomistic observation on diffusion-mediated friction between single-asperity contacts

Super-lubricity, a sliding regime in which friction almost vanishes, has been well-documented with the advent of atomic force microscopy (AFM) and molecular dynamics (MD) simulation due to its enormous implications for manufacturing micro-/nano-electromechanical systems (MEMS/NEMS). Nevertheless, the atomistic mechanisms for super-lubricious behaviors are still elusive, primarily due to a lack of direct observation of interface at atomic resolution during frictional process. Here by using in situ high-resolution transmission electron microscopy (HRTEM) coupled with AFM, we report diffusion-mediated formation of a loosely-packed interfacial layer between two metallic asperities at infinitesimal normal forces, which is responsible for the sliding regime, super-lubricity exhibiting ultra-low friction forces and continuous sliding. By contrast, the loosely-packed interfacial layer vanishes along with the super-lubricity, leading to typical stick-slip friction. Additionally, in situ TEM observation and MD simulations reveals the crucial role that atom diffusion plays in atomic friction, and provides new insights into the fundamental mechanisms of super-lubricity.

42 ENGINEERING↗