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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

In vitro investigation of protein assembly by combined microscopy and infrared spectroscopy at the nanometer scale

The nanoscale structure and dynamics of proteins on surfaces has been extensively studied using various imaging techniques, such as transmission electron microscopy and atomic force microscopy (AFM) in liquid environments. These powerful imaging techniques, however, can potentially damage or perturb delicate biological material and do not provide chemical information, which prevents a fundamental understanding of the dynamic processes underlying their evolution under physiological conditions. Here, we use a platform developed in our laboratory that enables acquisition of infrared (IR) spectroscopy and AFM images of biological material in physiological liquids with nanometer resolution in a cell closed by atomically thin graphene membranes transparent to IR photons. In this work, we studied the self-assembly process of S-layer proteins at the graphene-aqueous solution interface. The graphene acts also as the membrane separating the solution containing the proteins and Ca 2+ ions from the AFM tip, thus eliminating sample damage and contamination effects. The formation of S-layer protein lattices and their structural evolution was monitored by AFM and by recording the amide I and II IR absorption bands, which reveal the noncovalent interaction between proteins and their response to the environment, including ionic strength and solvation. Our measurement platform opens unique opportunities to study biological material and soft materials in general.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

High-Resolution Momentum Imaging—From Stern’s Molecular Beam Method to the COLTRIMS Reaction Microscope [Book Chapter]

Multi-particle momentum imaging experiments are now capable of providing detailed information on the properties and the dynamics of quantum systems in Atomic, Molecular and Photon (AMO) physics. Historically, Otto Stern can be considered the pioneer of high-resolution momentum measurements of particles moving in a vacuum and he was the first to obtain sub-atomic unit (a.u.) momentum resolution (Schmidt-Böcking et al. in The precision limits in a single-event quantum measurement of electron momentum and position, these proceedings). A major contribution to modern experimental atomic and molecular physics was his so-called molecular beam method, which Stern developed and employed in his experiments. With this method he discovered several fundamental properties of atoms, molecules and nuclei. As corresponding particle detection techniques were lacking during his time, he was only able to observe the averaged footprints of large particle ensembles. Today it is routinely possible to measure the momenta of single particles, because of the tremendous progress in single particle detection and data acquisition electronics. A “state-of-the-art” COLTRIMS reaction microscope can measure, for example, the momenta of several particles ejected in the same quantum process in coincidence with sub-a.u. momentum resolution. Such setups can be used to visualize the dynamics of quantum reactions and image the entangled motion of electrons inside atoms and molecules. This review will briefly summarize Stern’s work and then present in longer detail the historic steps of the development of the COLTRIMS reaction microscope. Furthermore, some benchmark results are shown which initially paved the way for a broad acceptance of the COLTRIMS approach. Finally, a small selection of milestone work is presented which has been performed during the last two decades.

Jahnke, T.↗
DOE OSTI2022

The Complete α 8 m Contributions to the 1s Lamb Shift in Hydrogen

Precision studies of simple atoms, such as hydrogen, play an essential role in tests of bound-state QED and determining fundamental constants, such as the Rydberg constant and the proton charge radius. One of the QED predictions is for the Lamb shift of hydrogenic energy levels and, in particular, of the ground state. Here, the value of the 1s Lamb shift in hydrogen and deuterium is required for an accurate determination of the Rydberg constant and the proton charge radius utilizing data from high-resolution spectroscopy of hydrogen and deuterium atoms, as well as for precision tests of bound-state QED. The dominant QED contribution to the uncertainty is due to the α 8 m external-field contributions. We discuss here our recent results on the two- and three-loop contributions, which essentially reduce the theoretical uncertainty. Combined with recent calculations of Laporta on the slope of the Dirac form factor in the three-loop level, our results allow for completion of calculations of α 8 m contributions to the Lamb shift of the ground state in the hydrogen atom.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1974

Highly ionized atoms observed with Copernicus

Based on high-resolution observations using the Princeton satellite/spectrometer on Copernicus the O VI doublet is discussed in detail, in conjunction with data for the resonance lines of N V, Si IV, and S IV reported in five stars. The temperature, density, and the possible extent of the O VI producing region are discussed. The ratio N(S IV)/N(O VI) is used to derive a lower limit to the temperature in the O VI producing region. In near pressure equilibrium with normal interstellar clouds and H II regions minimum densities are found to be consistent with a hot plasma.

York, D. G.↗
DOE OSTI2020

Fluidic Flow Assisted Deterministic Folding of Van der Waals Materials

Origami offers a distinct approach for designing and engineering new material structures and properties. The folding and stacking of atomically thin van der Waals (vdW) materials, for example, can lead to intriguing new physical properties including bandgap tuning, Van Hove singularity, and superconductivity. On the other hand, achieving well-controlled folding of vdW materials with high spatial precision has been extremely challenging and difficult to scale toward large areas. In this paper, a deterministic technique is reported to fold vdW materials at a defined position and direction using microfluidic forces. Electron beam lithography (EBL) is utilized to define the folding area, which allows precise control of the folding geometry, direction, and position beyond 100 nm resolution. Using this technique, single-atomic-layer vdW materials or their heterostructures can be folded without the need for any external supporting layers in the final folded structure. In addition, arrays of patterns can be folded across a large area using this technique and electronic devices that can reconfigure device functionalities through folding are also demonstrated. Such scalable formation of folded vdW material structures with high precision can lead to the creation of new atomic-scale materials and superlattices as well as opening the door to realizing foldable and reconfigurable electronics.

2D materials↗
NASA NTRS1990

Bias and uncertainty in the absorption emission measurement of atomic sodium density in the SSME exit plane

The measurement of atomic sodium concentration in the TTB 019 firing of April 1990 is significant in that it represents the first measurement of density at the exit plane of the space shuttle main engine. The knowledge of the sodium density, combined with the certainty that the exit plane of the plume is optically thin at the sodium D-line wavelengths, provides essential information for evaluation of diagnostic techniques using sodium atoms, such as resonant Doppler velocimetry for temperature, pressure, and velocity through high resolution fluorescent lineshape analysis. The technique used for the sodium atom line transmission (SALT) measurements is that of resonant absorption emission using a hollow cathode lamp as the reference source. Through the use of two-dimensional kinetic (TDK) predictions of temperature and density for the flight engine case and radiative transfer calculations, this line-of-sight spectrally integrated transmission indicates a sodium atom concentration, i.e., mole fraction, of 0.91e-10. The subject of this paper is the assumptions and measurement uncertainties tied into the calculation. Because of the narrow shape of the source emission, the uncertainties in the absorption profile could introduce considerable bias in the measurement. The following were investigated: (1) the inclusion of hyperfine splitting of the D-lines in the calculation; (2) the use of the flight engine predictions of plume temperature and density versus those for the large throat engine; (3) the assumption of a Gaussian, i.e., Doppler, distribution for the source radiance with a temperature of 400 K; (4) the use of atomic collisional shift and width values for the work by Jongerius; and (5) a Doppler shift for a 7 degree outward velocity vector at the plume edge. Also included in the study was the bias introduced by an uncertainty in the measurement of the D1/D2 line ratio in the source.

Bauman, Leslie E.↗
DOE OSTI2025

Fast quantum interferometry at the nanometer and attosecond scales with energy-entangled photons

In classical optical interferometry, loss and background complicate achieving fast nanometer-resolution measurements with illumination at low light levels. Conversely, quantum two-photon interference is unaffected by loss and background, but nanometer-scale resolution is physically difficult to realize. As a solution, we enhance two-photon interference with highly nondegenerate energy entanglement featuring photon frequencies separated by 177 THz. We observe measurement resolution at the nanometer (attosecond) scale with only O(10 4 ) photon pairs, despite the presence of background and loss. Our nondestructive thickness measurement of a metallic thin film agrees with atomic force microscopy, which often achieves better resolution via destructive means. With contactless, nondestructive measurements in seconds or faster, our instrument enables metrological studies in optically challenging contexts where background, loss, or photosensitivity are factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A review of the metastable omega phase in beta titanium alloys: the phase transformation mechanisms and its effect on mechanical properties

Since its discovery in 1954, the omega (ω) phase in titanium and its alloys has attracted substantial attention from researchers. The β-to-ω and ω-to-α phase transformations are central to β-titanium alloy design, but the transformation mechanisms have been a subject of debate. With new generations of aberration-corrected transmission electron microscopy and atom probe tomography, both the spatial resolution and compositional sensitivity of phase transformation analysis have been rapidly improving. Furthermore, this review provides a detailed assessment of the new understanding gained and related debates in this field enabled by advanced characterization methods. Specifically, new insights into the possibility of a coupled diffusional-displacive component in the β-to-ω transformation and key nucleation driving forces for the ω-assisted α phase formation are discussed. Additionally, the influence of ω phase on the mechanical properties of β-titanium alloys is also reviewed. Lastly, a perspective on open questions and future direction for research is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Measuring Roughnesses Of Optical Surfaces

Report discusses use of scanning tunneling microscopy and atomic force microscopy to measure roughnesses of optical surfaces. These techniques offer greater spatial resolution than other techniques. Report notes scanning tunneling microscopes and atomic force microscopes resolve down to 1 nm.

Coulter, Daniel R.↗
NASA NTRS1991

Galileo ultraviolet spectrometer experiment - Initial Venus and interplanetary cruise results

The Galileo Extreme Ultraviolet Spectrometer obtained a spectrum of Venus atmospheric emissions in the 55.0- to 125.0-nm wavelength region. Emissions of helium (58.4 nm), ionized atomic oxygen (83.4 nm), and atomic hydrogen (121.6 nm), as well as a blended spectral feature of atomic hydrogen (Lyman-beta) and atomic oxygen (102.5 nm), were observed at 3.5-nm resolution. During the Galileo spacecraft cruise from Venus to earth, Lyman-alpha emission from solar system atomic hydrogen (121.6 nm) was measured. The dominant source of the Lyman-alpha emission is atomic hydrogen from the interstellar medium. A model of Galileo observations at solar maximum indicates a decrease in the solar Lyman-alpha flux near the solar poles. A strong day-to-day variation also occurs with the 27-day periodicity of the rotation of the sun.

Hord, C. W.↗
NASA NTRS2003

The Influence of Surface Morphology and Diffraction Resolution of Canavalin Crystals

Canavalin crystals grown from material purified and not purified by High Performance Liquid Chromatography were studied by atomic force microscopy and x-ray diffraction. After purification, resolution was improved from 2.55Angstroms to 2.22Angstroms and jagged isotropic spiral steps transformed into regular, well polygonized steps.

Plomp, M.↗
DOE OSTI2023

Electrochemical Degradation of Pt 3 Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials

In fuel cell applications, the durability of catalysts is critical for large-scale industrial implementation. However, limited synthesis controllability and spectroscopic resolution impede a comprehensive understanding of degradation mechanisms at the atomic level. In this study, we develop a machine-learned potential (MLP) to simulate the degradation processes for Pt3Co nanoparticles. The precision of MLP is determined to be comparable to that of density functional theory calculations. Using off-lattice kinetic Monte Carlo simulations with MLP, we successfully replicate established experimental trends and offer a logical resolution to ongoing debates regarding atomic orderings. Based on the simulation results, we suggest design principles for Pt3Co nanoparticles that combine high activity and durability. Finally, we validate the wide applicability of our method by successfully applying it to Pt3Ni and Pt3Co0.5Ni0.5 nanoparticles. The research serves as a guideline for developing MLPs for alloy electrochemical catalysts and lays the foundation for designing more durable and active fuel-cell catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding Degradation Mechanisms in SrIrO 3 Oxygen Evolution Electrocatalysts: Chemical and Structural Microscopy at the Nanoscale

Designing acid-stable oxygen evolution reaction electrocatalysts is key to developing sustainable energy technologies such as polymer electrolyte membrane electrolyzers but has proven challenging due to the high applied anodic potentials and corrosive electrolyte. This work showcases advanced nanoscale microscopy techniques supported by complementary structural and chemical characterization to develop a fundamental understanding of stability in promising SrIrO 3 thin film electrocatalyst materials. Cross-sectional high-resolution transmission electron microscopy illustrates atomic-scale bulk and surface structure, while secondary ion mass spectrometry imaging using a helium ion microscope provides the nanoscale lateral elemental distribution at the surface. After accelerated degradation tests under anodic potential, the SrIrO 3 film thins and roughens, but the lateral distribution of Sr and Ir remains homogeneous. A layer-wise dissolution mechanism is hypothesized, wherein anodic potential causes the IrO x -rich surface to dissolve and be regenerated by Sr leaching. Finally, the characterization approaches utilized herein and mechanistic insights into SrIrO 3 are translatable to a wide range of catalyst systems.

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

Temperature Dependent Early-Stage Oxidation Dynamics of Cu(100) Film with Faceted Holes

Fundamental understanding of surface oxidation dynamics is critical for rational corrosion protection and advanced manufacturing of nanostructured oxides. In situ environmental TEM (ETEM) provides high spatial (nano- to atomic- scale) and temporal (< 0.1 s) resolution to investigate the early-stage oxidation/corrosion dynamics of metals and alloys. Thin samples with facets are widely used to enable cross-sectional observation of the oxidation dynamics in ETEM. However, how different facet orientations oxidize under the same conditions, and how these facets change the oxidation process, has not been investigated before. Here, using in situ ETEM, we systematically compare the oxidation dynamics of Cu(001) thin films, with faceted holes exposing {100} and {110} facets at temperatures ranging from 250–600 °C under 0.03 Pa O 2 . Oxidation preference is observed to change, from Cu(110) facets at lower temperatures to Cu(100) facets at ~ 500 °C. Oxide growth mechanisms change from outward growth on Cu 2 O surfaces at low temperatures, to inward growth on Cu-Cu 2 O interfaces at high temperatures. At high temperatures (500–600 °C), a rod-like Cu 2 O morphology is observed, with side facets of ~ {024} and top facets of {100} on Cu(100). This differs from the square-shaped Cu 2 O exposing {110} facets formed on Cu(001) surfaces. Rod-like oxides exhibit directional growth along their lengths with linear growth rates, regardless of rod length and width. This suggests that O from Cu(001) surfaces, rather than Cu(100) facets, serves as an O source for oxide growth. These results show a direct comparison of oxidation at different orientations with temperature, underscoring the temperature dependence of oxidation preference. Our results also suggest future in situ ETEM experiments viewing oxidation corrosion cross-sectionally should be cautious when oxide size is comparable with sample thickness, as the oxidizing mechanism may change due to sample thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Structure evolution and tin redistribution during oxidation of Zircaloy-4 at 500°C

Zirconium (Zr) alloys are widely used as fuel cladding in nuclear power reactors due to their thermal stability, mechanical durability, corrosion resistance, and low neutron absorption cross-section. However, their performance is challenged by oxidation in reactor environments, making the study of Zr alloy corrosion behavior crucial for ensuring the safety, longevity, and economic viability of nuclear power systems. While the oxidation behavior of Zr-based cladding materials has been extensively studied since the 1950s, a mechanistic understanding into the relationship between structure evolution, solute element redistribution, and properties remains elusive. Valuable insights may be obtained through advanced experimental methods, such as in-situ and high resolution microscopy techniques. Here, in this study, the oxidation behavior of Zircaloy-4 at 500 °C in O 2 is characterized using a multimodal advanced characterization approach. Using in-situ X-ray diffraction, the phase evolution from metastable to stable oxides is tracked in real time. Complementary high-resolution techniques, including electron microscopy and atom probe tomography, reveal nanoscale insights into the microstructural changes and solute redistribution across the oxide/metal interface. Nanohardness mapping across the oxide/metal interface highlights localized mechanical property variations that may be linked to changes in microstructure and crystal structure within the oxide layer. These findings offer valuable insights into the microstructure and property evolution of Zircaloy-4 during oxidation, contributing to a better understanding of microstructural changes in Zr-based alloys under oxidative environments.

APT↗
DOE OSTI2022

Light-Driven Ultrafast Polarization Manipulation in a Relaxor Ferroelectric

Relaxor ferroelectrics have been intensely studied for decades based on their unique electromechanical responses which arise from local structural heterogeneity involving polar nanoregions or domains. Here, we report first studies of the ultrafast dynamics and reconfigurability of the polarization in freestanding films of the prototypical relaxor 0.68PbMg 1/3 Nb 2/3 O 3 -0.32PbTiO 3 (PMN-0.32PT) by probing its atomic-scale response via femtosecond-resolution, electron-scattering approaches. By combining these structural measurements with dynamic phase-field simulations, we show that femtosecond light pulses drive a change in both the magnitude and direction of the polarization vector within polar nanodomains on few-picosecond time scales. This study defines new opportunities for dynamic reconfigurable control of the polarization in nanoscale relaxor ferroelectrics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Uptake of Pb and the Formation of Mixed (Ba,Pb)SO 4 Monolayers on Barite During Cyclic Exposure to Lead-Containing Sulfuric Acid

Barite (BaSO 4 ) is a common additive in lead-acid batteries, where it acts as a nucleating agent to promote the reversible formation and dissolution of PbSO 4 during battery cycling. However, little is known about the molecular-scale mechanisms the nucleation and cyclic evolution of PbSO 4 over a battery’s lifetime. In this study, we explore the responses of a barite (001) surface to cycles of high and low lead concentrations in the presence of 100 mM sulfuric acid using in-situ atomic force microscopy and high-resolution X-ray reflectivity. Here we find that PbSO 4 epitaxial films readily nucleate on the barite surface, even from solutions that are undersaturated relative to bulk PbSO 4 . Despite this, barite (001) proves to be an ineffective nucleator of bulk PbSO 4 , as multilayer growth is suppressed even in highly supersaturated solutions. Instead, we find evidence that Pb 2+ ions can directly exchange with Ba 2+ to create mixed (Ba,Pb)SO 4 surfaces. These chemically mixed surfaces do not host PbSO4 monolayers as readily as pristine barite, and the original reactivity is not regained until a fresh surface is reestablished by aggressive etching. Our results can be partly explained by traditional models of Stranski-Krastanov (S-K) growth, in which monolayer films are stabilized by a reduction in surface energy, but multilayer growth is inhibited by epitaxial strain. Complementary density functional theory calculations confirmed the basic energetic-terms of traditional S-K models, but also showed evidence form more complex, thickness-dependent, energetics than would be predicted from the S-K models. The experimental results can be better understood by extending the S-K model to consider the formation of mixed surfaces and films, which can have reduced strain and interfacial energies relative to pure films, while also being stabilized by entropy of mixing. These insights into non-stoichiometric heteroepitaxy will enable better predictions of how barite affects PbSO 4 nucleation in battery environments.

25 ENERGY STORAGE↗
DOE OSTI2024

Hybrid Molecular Beam Epitaxy for Single-Crystalline Oxide Membranes with Binary Oxide Sacrificial Layers

The advancement in thin-film exfoliation for synthesizing oxide membranes has led to possibilities for creating artificially assembled heterostructures with structurally and chemically incompatible materials. The sacrificial layer method is a promising approach to exfoliate as-grown films from a compatible material system, allowing for their integration with dissimilar materials. Nonetheless, the conventional sacrificial layers often possess an intricate stoichiometry, thereby constraining their practicality and adaptability, particularly when considering techniques such as molecular beam epitaxy (MBE). This is where easy-to-grow binary alkaline-earth-metal oxides with a rock salt crystal structure are useful. These oxides, which include (Mg, Ca, Sr, Ba)O, can be used as a sacrificial layer covering a much broader range of lattice parameters compared to conventional sacrificial layers and are easily dissolvable in deionized water. In this study, we show the epitaxial growth of the single-crystalline perovskite SrTiO 3 (STO) on sacrificial layers consisting of crystalline SrO, BaO, and Ba 1–x Ca x O films, employing a hybrid MBE method. Our results highlight the rapid (≤5 min) dissolution of the sacrificial layer when immersed in deionized water, facilitating the fabrication of millimeter-sized STO membranes. Using high-resolution X-ray diffraction, atomic-force microscopy, scanning transmission electron microscopy, impedance spectroscopy, and scattering-type near-field optical microscopy (SNOM), we demonstrate single-crystalline STO membranes with bulk-like intrinsic dielectric properties. The employment of alkaline earth metal oxides as sacrificial layers is likely to simplify membrane synthesis, particularly with MBE, thus expanding the research and application possibilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗