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NASA NTRS2011

Atomic Oxygen Fluence Monitor

This innovation enables a means for actively measuring atomic oxygen fluence (accumulated atoms of atomic oxygen per area) that has impinged upon spacecraft surfaces. Telemetered data from the device provides spacecraft designers, researchers, and mission managers with real-time measurement of atomic oxygen fluence, which is useful for prediction of the durability of spacecraft materials and components. The innovation is a compact fluence measuring device that allows in-space measurement and transmittance of measured atomic oxygen fluence as a function of time based on atomic oxygen erosion yields (the erosion yield of a material is the volume of material that is oxidized per incident oxygen atom) of materials that have been measured in low Earth orbit. It has a linear electrical response to atomic oxygen fluence, and is capable of measuring high atomic oxygen fluences (up to >10(exp 22) atoms/sq cm), which are representative of multi-year low-Earth orbital missions (such as the International Space Station). The durability or remaining structural lifetime of solar arrays that consist of polymer blankets on which the solar cells are attached can be predicted if one knows the atomic oxygen fluence that the solar array blanket has been exposed to. In addition, numerous organizations that launch space experiments into low-Earth orbit want to know the accumulated atomic oxygen fluence that their materials or components have been exposed to. The device is based on the erosion yield of pyrolytic graphite. It uses two 12deg inclined wedges of graphite that are over a grit-blasted fused silica window covering a photodiode. As the wedges erode, a greater area of solar illumination reaches the photodiode. A reference photodiode is also used that receives unobstructed solar illumination and is oriented in the same direction as the pyrolytic graphite covered photodiode. The short-circuit current from the photodiodes is measured and either sent to an onboard data logger, or transmitted to a receiving station on Earth. By comparison of the short-circuit currents from the fluence-measuring photodiode and the reference photodiode, one can compute the accumulated atomic oxygen fluence arriving in the direction that the fluence monitor is pointing. The device produces a signal that is linear with atomic oxygen fluence using a material whose atomic oxygen erosion yield has been measured over a period of several years in low-Earth orbit.

Banks, Bruce A.↗

NASA NTRS1973

Interstellar Na I, K I, Ca II, and CH/+/ line profiles toward zeta Ophiuchi.

Comparison of interferometric, photoelectric scans of interstellar absorption-line profiles of Na I, K I, Ca II, and CH(+) toward zeta Ophiuchi. Near a heliocentric velocity of -15 km/sec, there is a strong composite feature showing four components. The atomic and molecular absorption lines do not arise in a common volume of gas but rather in essentially different clouds whose atomic abundances and/or ionization balances vary substantially.

Hobbs, L. M.↗

NASA NTRS1994

Hydrogen maser clocks in space for solid-Earth research and time-transfer applications: Experiment overview and evaluation of Russian miniature sapphire loaded cavity

The Observatoire Cantonal de Neuchatel (ON) is developing for ESTEC a compact H-maser for space use based upon a miniature sapphire loaded microwave cavity, a technique pioneered at VNIIFTRI. Various contacts between West-European parties, headed by ESA, and the Russian parties, headed by ESA, led to the proposal for flying two H-masers on Meteor 3M, a Russian meteorology satellite in low polar orbit. The experiment will include two masers, one provided by ON and the other by VNIIFTRI. T/F transfer and precise positioning will be performed by both a microwave link, using PRARE equipment, and an optical link, using LASSO-like equipment. The main objectives of the experiment are precise orbit determination and point positioning for geodetic/geophysical research, ultra-accurate time comparison and dissemination as well as in-orbit demonstration of operation and performance of H-masers. Within the scope of a preliminary space H-maser development phase performed for ESTEC at ON in preparation to the joint experiment, a Russian miniature sapphire loaded microwave cavity, on loan from VNIIFTRI, was evaluated in a full-size EFOS hydrogen maser built by ON. The experimental evaluation confirmed the theoretical expectation that with a hydrogen storage volume of only 0.65 liter an atomic quality factor of 1.5 x 10(exp 9) can be obtained for a -105 dBm output power. This represents a theoretical Allan deviation of 1.7 x 10(exp -15) averaged on a 1000 s time interval. From a full-size design to a compact one, therefore, the sacrifice in performance due to the reduction of the storage volume is very small.

Busca, G.↗

DOE OSTI2020

Coulomb correlation in noncollinear antiferromagnetic 𝛼-Mn

Here, we discuss the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to be sensitive to magnetic interactions between the Mn atoms. While the standard generalized gradient approximation underestimates the equilibrium volume, a more accurate treatment of the effects of electronic localization and magnetism is found to solve this longstanding problem. Our calculations also reveal the presence of a magnetic phase in strained $\alpha$-Mn that has been reported previously in experiments. This new phase of strained $\alpha$-Mn exhibits a noncollinear spin structure with large magnetic moments.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Arc restrike in the rail accelerator

One of the causes of the degradation in rail accelerator performance is the formation of a secondary arc. Experimental evidence of arc restrike and the subsequent growth of this secondary arc is presented. A simple analytical treatment of arc restrike is developed in terms of breakdown of residual vapor atoms. It is found that after the passage of the primary arc, the bore volume contains a large number of residual neutral vapor atoms. If the density of these atoms is in excess of the critical density, then for a certain length of time the condition exists in the bore for the formation of a secondary arc. Evaporation of atoms from the bore surfaces cannot provide a sufficient number of atoms for an arc restrike. A likely source of the high residual atom density is the leakage of a portion of the ablated material that is added to the trailing edge of the primary arc.

Ray, Pradosh K.↗

NASA NTRS1990

Cavities in molecular liquids and the theory of hydrophobic solubilities

Thermal configurational data on neat liquids are used to obtain the work of formation of hard spherical cavities of atomic size in six molecular solvents: n-hexane, n-dodecane, n-undecyl alcohol, chloroform, carbon tetrachloride, and water. These results are used to test a recent suggestion that the differences between nonaqueous solvents and liquid water in solvation of inert gases are not principally due to the hydrogen-bonded structure of liquid water but rather to the comparatively small size of the water molecule. The frequencies of occurrence of cavities in liquid water can be meaningfully distinguished from those in the organic solvents. Liquid water has a larger fractional free volume, but that free volume is distributed in smaller packets. With respect to cavity work, water is compared to a solvent of the same molecular density and composed of hard spheres of the same size as the water molecule. That comparison indicates that the hard-sphere liquid finds more ways to configure its free volume in order to accommodate an atomic solute of substantial size and thus, would be more favorable solvent for inert gases. The scaled particle model of inert gas solubility in liquid water predicts cavity works 20% below the numerical data for TIP4P water at 300 K and 1.0 g/cm3 for cavity radii near 2.0 angstroms. It is argued that the sign of this difference is just the sign that ought to be expected and that the magnitude of this difference measures structural differences between water and the directly comparable hard-sphere liquid. In conjunction with previous data, these results indicate that atomic sized cavities should be considered submacroscopic.

NASA Discipline Exobiology↗

DOE OSTI2023

Ablation loading of barium ions into a surface-electrode trap

Trapped-ion quantum information processing may benefit from qubits encoded in isotopes that are practically available in only small quantities, e.g., due to low natural abundance or radioactivity. Laser ablation provides a method of controllably liberating neutral atoms or ions from low-volume targets, but energetic ablation products can be difficult to confine in the small ion-electrode distance, micron-scale microfabricated traps amenable to high-speed, high-fidelity manipulation of ion arrays. Here, we investigate ablation-based ion loading into surface-electrode traps of different sizes to test a model describing ion loading probability as a function of effective trap volume and other trap parameters. We characterize loading of ablated barium from a metallic source in two cryogenic surface-electrode traps with 730 and 50 μm ion-electrode distances. Furthermore, our loading rate agrees with a predictive analytical model, providing insight for the confinement of limited-quantity species of interest for quantum computing, simulation, and sensing.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Multi-slice electron ptychographic tomography for three-dimensional phase-contrast microscopy beyond the depth of focus limits

Electron ptychography is a powerful computational method for atomic-resolution imaging with high contrast for weakly and strongly scattering elements. Modern algorithms coupled with fast and efficient detectors allow imaging specimens with tens of nanometers thicknesses with sub-0.5 Ångstrom lateral resolution. However, the axial resolution in these approaches is currently limited to a few nanometers, limiting their ability to solve novel atomic structures ab initio. Here, we experimentally demonstrate multi-slice ptychographic electron tomography, which allows atomic resolution three-dimensional phase-contrast imaging in a volume surpassing the depth of field limits. We reconstruct tilt-series 4D-STEM measurements of a $\mathrm{Co_3O_4}$ nanocube, yielding 2 Å axial and 0.7 Å transverse resolution in a reconstructed volume of $\mathrm{(18.2\,nm)^3}$. Our results demonstrate a 13.5-fold improvement in axial resolution compared to multi-slice ptychography while retaining the atomic lateral resolution and the capability to image volumes beyond the depth of field limit. Multi-slice ptychographic electron tomography significantly expands the volume of materials accessible using high-resolution electron microscopy. We discuss further experimental and algorithmic improvements necessary to also resolve single weakly scattering atoms in 3D.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Atom Probe Tomography for understanding microstructural and chemical changes in nuclear materials

Atom Probe Tomography (APT) is routinely employed to determine 3D microstructure and chemistry changes in structural materials used in reactor to understand irradiation effect. These findings help to correlate changes to mechanical and physical properties of nuclear materials which are subjected to extreme reactor conditions. With safety and economics of a reactor in mind, it is essential to be able to predict the changes in the fuel composition and microstructure as a function of burnup. Also, there is current need to develop advanced fuels with improved properties and performance which requires the experimental data on changes in microstructure, physical and chemical properties after irradiation for feedback process. A novel approach is presented to determine the local burnup in irradiated fuels using isotopic quantification obtained by Atom Probe Tomography (APT). Considering the volume of sample used (<100?µm3) for APT experiments using the lift-out process in a scanning electron microscope equipped with a Focused Ion Beam (FIB), the presented method determines the local burnup from a nuclear fuel, where a minimal amount of waste is produced. In this work, three samples were analyzed with different burnup conditions to quantify the isotopes of 235U, 236U, and 238U for burnup calculation in the irradiated metallic U–7Mo dispersion fuel. The calculated values were found in excellent agreement with MCNP calculations. With regard to structural materials, one of the primary factors limiting the utilization of fuel rods of Zr alloys is hydrogen pick up during oxidation. Past experimental studies have shown that the hydrogen pickup in Zirconium alloys is influenced by the alloy composition as well by irradiation temperature and neutron dose. Oftentimes, it is not feasible to carry out comprehensive studies on understanding the microstructural evolution in neutron irradiated materials since in reactor irradiation programs are extremely costly, lengthy and logistically complicated. The use of ion irradiation as a substitute has grown in recent years for several reasons including less radioactivity, faster irradiations and lower costs. In the framework of the MUZIC 3 project, samples of Zircaloy-4 have been proton and Zr2+ irradiated at the Michigan Ion Beam Lab (MIBL) facility with aim to create a microstructure that is similar to that observed after in-reactor service. The temperature of the environment is adjusted to compensate for the higher dose rate, as has been done previously. As a first step in this project the irradiated microstructures have been characterized using Transmission Electron Microscopy and Atom Probe Tomography to elucidate the microstructural changes, including precipitate amorphization and dissolution and the formation of dislocation loops. This presentation plans to highlight initial finding of this project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1998

Nuclear Instruments and Methods in Physics Research: Microstructural Characterization of Semi-Interpenetrating Polymer Networks by Positron Lifetime Spectroscopy - Section B

Thermoset and thermoplastic polyimides have complementary physical/mechanical properties. Whereas thermoset polyimides are brittle and generally easier to process, thermoplastic polyimides are tough but harder to process. It is expected that a combination of these two types of polyimides may help produce polymers more suitable for aerospace applications. Semi-Interpenetrating Polymer Networks (S-IPNs) of thermoset LaRC(Trademark)-RP46 and thermoplastic LARC(Trademark)-IA polyimides were prepared in weight percent ratios ranging from 100:0 to 0: 100. Positron lifetime measurements were made in these samples to correlate their free volume features with physical/mechanical properties. As expected, positronium atoms are not formed in these samples. The second life time component has been used to infer the positron trap dimensions. The "free volume" goes through a minimum at about 50:50 ratio, suggesting that S-IPN samples are not merely solid solutions of the two polymers. These data and related structural properties of the S-IPN samples have been discussed in this paper.

Singh, Jag J.↗

DOE OSTI2026

Vapor-cavity-QED system for quantum computation and communication

In this work, we propose performing key operations in quantum computation and communication using room-temperature atoms moving across a grid of high-quality-factor, small-mode-volume cavities. These cavities enable high-cooperativity interactions with single atoms to be achieved with a characteristic timescale much shorter than the atomic transit time, allowing multiple coherent operations to take place. We study scenarios where we can drive a Raman transition to generate photons with specific temporal shapes and to absorb, and hence detect, single photons. The strong atom-cavity interaction can also be used to implement the atom-photon controlled-phase gate, which can then be used to construct photon-photon gates, create photonic cluster states, and perform nondemolition detection of single photons. We provide numerics validating our methods and discuss the implications of our results for several applications.

Austin, Sharoon [National Institute of Standards a↗

DOE OSTI2023

Hydrogen and Silicon Effects on Hexagonal Close Packed Fe Alloys at High Pressures: Implications for the Composition of Earth's Inner Core

Hexagonal close-packed (hcp) structured Fe-Ni alloy is believed to be the dominant phase in the Earth's inner core. This phase is expected to contain 4%–5% light elements, such as Si and H. While the effects of individual light element candidates on the equation of state (EoS) of the hcp Fe metal have been studied, their combined effects remain largely unexplored. Here, in this study, we report the equations of state for two hcp-structured Fe-Si-H alloys, namely Fe 0.83 Si 0.17 H 0.07 and Fe 0.83 Si 0.17 H 0.46 , using synchrotron X-ray diffraction measurements up to 125 GPa at 300 K. These alloys were synthesized by cold compression of Fe-9wt%Si in either pure H 2 or Ar-H 2 mixture medium in diamond-anvil cells. The volume increase caused by a H atom in hcp Fe-Si-H alloys is approximately eight times greater than that by a Si atom. We used the improved data set to develop a composition-dependent EoS that covers a wide range of compositions. Our calculated density and bulk sound velocity of hcp Fe-Si-H alloys suggest a large trade-off between Si and H contents in fitting the seismic properties of the inner core. Combining our new EoS with geophysical and geochemical constraints, we propose 1.6–3 wt% Si and 0.15–0.6 wt% H in the Earth's inner core.

58 GEOSCIENCES↗

DOE OSTI2021

Nanoscale imaging of Gilbert damping using signal amplitude mapping

Ferromagnetic resonance force microscopy (FMRFM) is a powerful scanned probe technique that uses sub-micrometer-scale, spatially localized standing spin wave modes (LMs) to perform local ferromagnetic resonance (FMR) measurements. In this work, we show the spatially resolved imaging of Gilbert damping in a ferromagnetic material (FM) using FMRFM. Typically damping is measured from the FMR linewidth. We demonstrate an approach to image the spatial variation of Gilbert damping utilizing the LM resonance peak height to measure the LM resonance cone angle. This approach enables determination of damping through field-swept FMRFM at a single excitation frequency. The extreme force sensitivity of similar to 2 fN at room temperature can resolve changes of Gilbert damping as small as ~2 x 10 -4 at 2GHz, corresponding to ~0.16Oe in FMR linewidth resolution. This high sensitivity, high spatial resolution, and single frequency imaging of Gilbert damping creates the opportunity to study spin interactions at the interface between an insulating FM and a small volume of nonmagnetic material such as atomically thin two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Transport characterization and pinning analysis of BaFe 1.9 Ni 0.1 As 2.05 thin films

In this paper, we report on the vortex-glass transition and superconducting performance of BaFe 1.9 Ni 0.1 As 2.05 thin films with T c = 17.8 K on CaF 2 (00 l ) single crystals by pulsed laser deposition. Atomic force microscopy characterization indicates the volumes of droplets appearing on the film surface increase with thickness and Magneto-optical imaging proves slight inhomogeneities in the current flow within the ab -plane of thin film. The thin films show a transport current density J c of ~1.14 MA cm –2 in self-field, and 0.34 and 0.28 MA cm –2 for H // c and H // ab up to 9 T at 4.2 K. Pinning mechanism associated with the fluctuations in the mean free path of the charge carries is found to be dominant in the thin films. The vortex-glass (VG) to vortex-liquid phase transition is identified in terms of the plots of the logarithmic derivative of the resistivity curves under different fields, allowing us to deduce the values of the VG transition temperature T g , and the critical exponent s . The ρ – T curves are well scaled by VG theory. A phase diagram combining the VG transition temperature, irreversibility field and upper critical field is constructed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

A TOpographic Mapping (ATOM) Method to Design Magnetic Cores

Wireless power transfer offers safe, convenient, and efficient way of charging electric vehicles. Ongoing research is targeting wireless charging pad design optimization; designing the magnetic component is the most important part of the coupler design because the magnetic part determines the coupling factor and efficiency. Optimizing the coil layout and geometry as well as ferrite design requires finite elements analysis based modeling and simulation for minimized core losses, maximized magnetic coupling, and minimized material use for cost-effectiveness. Although parametric finite element analysis or emerging artificial intelligence methods can generate very accurate results, simulation times are extremely long. To address this issue, this study proposes a simple, effective core design called A TOpographic Mapping (ATOM). The proposed design is based on the design of magnetic core by using the magnetic flux distribution. The thickness of the core increases with increasing magnetic flux density, forming a variable thickness core design with less material and minimized core losses compared to conventional designs. A superimposing method is used to create an optimal design for a rotational magnetic field-based system. According to simulation results, the ATOM design reduces the required material volume by 13.19% and yields the lowest core loss and highest mutual inductance compared to other designs. In addition, misalignment, electromagnetic interference, and thermal performance were evaluated for the proposed design.

Aydin, Emrullah [Oak Ridge National Laboratory (OR↗

DOE OSTI2024

Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life

Abstract The high costs and geopolitical challenges inherent to the lithium-ion (Li-ion) battery supply chain have driven a rising interest in the development of sodium-ion (Na-ion) batteries as a potential alternative. Unfortunately, the larger ionic radius of Na limits the reversibility of cycling because of the extensive atomic rearrangements that accompany Na-ion insertion, which in turn limit diffusion and charging speed, and lead to rapid degradation of the electrodes. The Center for Strain Optimization for Renewable Energy (STORE) was established to address these challenges and develop new electrode materials for Na-ion cells. This article discusses the current state-of-the-art materials used in Na-ion cells and several directions that STORE believes are critical to understand and control the structural and volumetric changes during the reversible (de)insertion of large cations. Graphical abstract Highlights Understanding the fundamental way materials respond to localized strains at the atomic length-scale is a critical first step in the development of highly reversible, long cycle life, Na-ion insertion hosts. This perspective explores a variety of methods that can be employed to mitigate the detrimental effects of large strain. The insights gained from these investigations should help lay the foundation for the creation of more economical and sustainable batteries that could have immediate impact on global energy infrastructure. Discussion Although there is near universal agreement that electrochemical energy storage must be an integral part of a green-energy future, there is less agreement about how to reduce the cost of energy storage. Replacing high-cost lithium-ion cells with lower-cost sodium-ion batteries is one option frequently considered in future energy models, but the details of what can be achieve with optimized sodium cell performance remains unclear. Here we posit that developing methods to mitigating strain on the electrode particle length scale is a key factor for achieving long-cycle-life sodium-ion batteries. Mitigating strain on the atomic scale suppress electrode-level volume change. Allowing for fast cycling in materials without the problems of electrode cracking or delamination. We further posit that understanding volume change in sodium-ion electrodes at a fundamental level will lead to the designing new sodium-ion electrode materials that will allow for efficient, stable, lower-cost energy storage.

Brady, Michael J.↗

NASA NTRS1970

Hydrogen maser - Measurement of wall shift with a flexible bulb

Flexible bulb is squeezed to change mean free path of hydrogen atoms, and to change bulb's volume without changing its surface area. Volumes in the different configurations are measured to learn the change in mean free path and calculate wall shift. Various bulb coating materials are described.

Brenner, D.↗

NASA NTRS1987

Gas release and ordering of carbon in the Allende meteorite

An attempt is made to ascertain whether the inert gas atoms leave their carrier phases by volume diffusion, with intact internal phase frameworks, or are instead expelled from the solids as a results of substantial rearrangement, during release from samples of the Allende carbonaceous meteorite. Gas release over the 300-1100 C range was followed by Raman spectroscopic studies in the 1360 and 1580/cm wavelength bands of carbon. The results obtained indicate that the gas release at high temperatures is causally related to the ordering of carbon.

Heymann, D.↗