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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Investigation of the fine structure of antihydrogen

At the historic Shelter Island Conference on the Foundations of Quantum Mechanics in 1947, Willis Lamb reported an unexpected feature in the fine structure of atomic hydrogen: a separation of the 2S 1/2 and 2P 1/2 states. The observation of this separation, now known as the Lamb shift, marked an important event in the evolution of modern physics, inspiring others to develop the theory of quantum electrodynamics. Quantum electrodynamics also describes antimatter, but it has only recently become possible to synthesize and trap atomic antimatter to probe its structure. Mirroring the historical development of quantum atomic physics in the twentieth century, modern measurements on anti-atoms represent a unique approach for testing quantum electrodynamics and the foundational symmetries of the standard model. Here we report measurements of the fine structure in the n = 2 states of antihydrogen, the antimatter counterpart of the hydrogen atom. Using optical excitation of the 1S–2P Lyman-α transitions in antihydrogen, we determine their frequencies in a magnetic field of 1 tesla to a precision of 16 parts per billion. Assuming the standard Zeeman and hyperfine interactions, we infer the zero-field fine-structure splitting (2P 1/2 –2P 3/2 ) in antihydrogen. The resulting value is consistent with the predictions of quantum electrodynamics to a precision of 2 per cent. Using our previously measured value of the 1S–2S transition frequency, we find that the classic Lamb shift in antihydrogen (2S 1/2 –2P 1/2 splitting at zero field) is consistent with theory at a level of 11 per cent. Our observations represent an important step towards precision measurements of the fine structure and the Lamb shift in the antihydrogen spectrum as tests of the charge–parity–time symmetry8 and towards the determination of other fundamental quantities, such as the antiproton charge radius, in this antimatter system.

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

Versatile stochastic model for predictive KMC simulation of fcc metal nanostructure evolution with realistic kinetics

Stochastic lattice-gas models provide the natural framework for analysis of the surface diffusion-mediated evolution of crystalline metal nanostructures on the appropriate time scale (often 10 1 –10 4 s) and length scale. Model behavior can be precisely assessed by kinetic Monte Carlo simulation, typically incorporating a rejection-free algorithm to efficiently handle the broad range of Arrhenius rates for hopping of surface atoms. The model should realistically prescribe these rates, or the associated barriers, for a diversity of local surface environments. However, commonly used generic choices for barriers fail, even qualitatively, to simultaneously describe diffusion for different low-index facets, for terrace vs step edge diffusion, etc. We introduce an alternative Unconventional Interaction–Conventional Interaction formalism to prescribe these barriers, which, even with few parameters, can realistically capture most aspects of behavior. Here, the model is illustrated for single-component fcc metal systems, mainly for the case of Ag. It is quite versatile and can be applied to describe both the post-deposition evolution of 2D nanostructures in homoepitaxial thin films (e.g., reshaping and coalescence of 2D islands) and the post-synthesis evolution of 3D nanocrystals (e.g., reshaping of nanocrystals synthesized with various faceted non-equilibrium shapes back to 3D equilibrium Wulff shapes).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A new approach to removing H atoms in hydrogen depassivation lithography

Hydrogen deppasivation lithography (HDL) carried out by a scanning tunneling microscope (STM) is used to make patterns of Si dimers on a hydrogen passivated silicon surface. In this paper we discuss a new STM mode of operation that is highly suitable for removing single H atoms from the surface. This is made possible by changes we have made to the STM feedback control system that allows the STM to remove hydrogen atoms without switching the operational mode from imaging to lithography. Employing this method can potentially reduce the chance of tip-sample crash and increase the lithography precision.

Moheimani, S. O. Reza↗
DOE OSTI2025

Unveiling the Hidden Evolution of Crystal Defects and Disorder in Energy Materials

Control of point defects and disorder in functional thin films and 2D materials is critical to realizing their full potential in applications ranging from energy storage to advanced electronics. However, these phenomena are often poorly understood, difficult to characterize, and challenging to direct with precision. This presentation explores emerging multi-modal computer vision to decipher and predict order in materials across multiple length scales in the electron microscope, from the atomic to the nanoscale. By fusing data from diverse sources, these powerful models provide unprecedented insights into materials' lifecycles, enabling the control of defects and their associated properties at a fundamental level. This capability promises to transform materials design and accelerate the development of next-generation technologies.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Laboratory Methods for the Measurement of Pollutants in Water and Waste Effluents

The requirement for accurate, precise, and rapid analytical procedures for the examination of water and waste samples requires the use of a variety of instruments. The instrumentation in water laboratories includes atomic absorption, UV-visible. and infrared spectrophotometers, automatic colorimetric analyzers, gas chromatographs and mass spectrometers. Because of the emphasis on regulatory action, attention is being directed toward quality control of analytical results. Among the challenging problems are the differentiation of metallic species in water at nanogram concentrations, rapid measurement of free cyanide and free ammonia, more sensitive methods for arsenic and selenium and improved characterization of organic contaminants.

Ballinger, Dwight G.↗
NASA NTRS2014

CO2 Reduction Assembly Prototype Using Microlith-Based Sabatier Reactor for Ground Demonstration

The utilization of CO2 to produce life support consumables, such as O2 and H2O, via the Sabatier reaction is an important aspect of NASA's cabin Atmosphere Revitalization System (ARS) and In-Situ Resource Utilization (ISRU) architectures for both low-earth orbit and long-term manned space missions. Carbon dioxide can be reacted with H2, obtained from the electrolysis of water, via Sabatier reaction to produce methane and H2O. Methane can be stored and utilized as propellant while H2O can be either stored or electrolyzed to produce oxygen and regain the hydrogen atoms. Depending on the application, O2 can be used to replenish the atmosphere in human-crewed missions or as an oxidant for robotic and return missions. Precision Combustion, Inc. (PCI), with support from NASA, has previously developed an efficient and compact Sabatier reactor based on its Microlith® catalytic technology and demonstrated the capability to achieve high CO2 conversion and CH4 selectivity (i.e., ≥90% of the thermodynamic equilibrium values) at high space velocities and low operating temperatures. This was made possible through the use of high-heat-transfer and high-surface-area Microlith catalytic substrates. Using this Sabatier reactor, PCI designed, developed, and demonstrated a stand-alone CO2 Reduction Assembly (CRA) test system for ground demonstration and performance validation. The Sabatier reactor was integrated with the necessary balance-of-plant components and controls system, allowing an automated, single "push-button" start-up and shutdown. Additionally, the versatility of the test system prototype was demonstrated by operating it under H2-rich (H2/CO2 of >4), stoichiometric (ratio of 4), and CO2-rich conditions (ratio of <4) without affecting its performance and meeting the equilibrium-predicted water recovery rates. In this paper, the development of the CRA test system for ground demonstration will be discussed. Additionally, the performance results from testing the system at various operating conditions and the results from durability testing will be presented.

Junaedi, Christian↗
DOE OSTI2026

Calibration-free analysis of Li isotope ratios using laser ablation and laser absorption spectroscopy

We introduce a rapid, calibration-free, all-optical method for high-precision lithium isotope ratio measurements in solid materials using laser ablation combined with tunable laser absorption spectroscopy. A new asynchronous acquisition method is used to acquire time-resolved, high-resolution spectra of the 6Li and 7Li D1 and D2 transitions near 671 nm. Isotope ratios and atomic column densities are extracted from measured spectra via a physics-based fitting model including hyperfine structure. Under 1 Torr air, spectra recorded = 0.75 ms after plasma onset exhibit narrow linewidths corresponding to Doppler temperatures = 400 K, enabling resolution of the isotope peaks with high signal-to-noise ratios. Analysis of LiAlO2 samples with varying 6Li:7Li ratios demonstrates isotopic precisions of 0.6–1.7% for spectra acquired in 30 s. Isotope ratios determined from the spectral fits show accuracy within –0.3% to –1.7% of reference ICP-MS measurements without requiring calibration to external standards. By eliminating sample preparation and enabling spatially resolved isotopic mapping, this method offers a rapid analysis approach to lithium isotope determination in solid materials relevant to nuclear energy, safeguards, and geochemistry.

Phillips, Mark C.↗
DOE OSTI2024

Precise mass measurements of A = 133 isobars with the Canadian Penning Trap: Resolving the Q β − anomaly at 133Te

We report precision mass measurements of 133 Sb 133g,m Te, and 133g,m I, produced at CARIBU at Argonne National Laboratory's ATLAS facility and measured using the Canadian Penning Trap mass spectrometer. These masses clarify an anomaly in the 133 Te β-decay. The masses reported in the 2020 Atomic Mass Evaluation (M. Wang et al., 2021) produce Q B - ( 133 Te)=2920(6) keV; however, the highest-lying 133 I level populated in this decay is observed at E i = 2935.83(15) keV, resulting in an anomalous Q$^i_B-$ = -16(6)keV. Our new measurements give Q B - ( 133 Te)=2934.8(11) keV, a factor of five more precise, yielding Q$^i_B$ = -1.0(12) keV, a 3σ shift from the previous results. This resolves this anomaly, but indicates further anomalies in our understanding of the structure of this isotope.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Hydride and Seek: Comparing Crystallographic Hydride Placement Techniques with an Open-Shell Cobalt Complex

Locating hydrides is crucial in organometallic chemistry but difficult to do accurately using X-ray diffraction. Electron diffraction has been proposed as a way to overcome this problem but has not been systematically compared to neutron diffraction and to quantum crystallography (Hirshfeld atom refinement, HAR) to test this hypothesis. Here, we present a comparative analysis of methods for a terminal cobalt hydride complex by comparing a single-crystal neutron diffraction reference structure to results from single-crystal X-ray diffraction with and without Hirshfeld atom refinement (HAR, NoSpherA2), density functional theory (DFT), and electron diffraction (3D-ED/MicroED) refined under kinematical and dynamical formalisms. Conventional X-ray diffraction gives lower precision than neutron diffraction as expected. Despite expected improvements, HAR gives systematic deviation from the neutron benchmark. Interestingly, optimized DFT equilibrium geometries are closer to the neutron value than the value from HAR. On the other hand, electron diffraction with a high-quality data set coupled with dynamical refinement localizes the hydride in difference maps and gives excellent agreement with the neutron data. Dynamical refinement is crucial, as kinematical refinement does not allow assignment of a hydride peak. This cross-modal comparison defines the conditions under which 3D-ED/MicroED delivers high-precision metal–hydride distances for this open-shell cobalt hydride.

anions↗
DOE OSTI2023

Toward direct spatial and intensity characterization of ultra-high-intensity laser pulses using ponderomotive scattering of free electrons

Spatial distributions of electrons ionized and scattered from ultra-low-pressure gases are proposed and experimentally demonstrated as a method to directly measure the intensity of an ultra-high-intensity laser pulse. Analytic models relating the peak scattered electron energy to the peak laser intensity are derived and compared to paraxial Runge–Kutta simulations highlighting two models suitable for describing electrons scattered from weakly paraxial beams (f#>5) for intensities in the range of 1018−1021 W cm−2. Scattering energies are shown to be dependent on gas species, emphasizing the need for specific gases for given intensity ranges. Direct measurements of the laser intensity at full power of two laser systems are demonstrated, both showing a good agreement between indirect methods of intensity measurement and the proposed method. One experiment exhibited the role of spatial aberrations in the scattered electron distribution, motivating a qualitative study on the effect. We propose the use of convolutional neural networks as a method for extracting quantitative information on the spatial structure of the laser at full power. We believe the presented technique to be a powerful tool that can be immediately implemented in many high-power laser facilities worldwide.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Study of the lineshape of the χ c1 (3872) state

A study of the lineshape of the χ c1 (3872) state is made using a data sample corresponding to an integrated luminosity of 3 fb –1 collected in pp collisions at center-of-mass energies of 7 and 8 TeV with the LHCb detector. Candidate χ c1 (3872) and ψ(2S) mesons from b-hadron decays are selected in the J/ψπ + π – decay mode. Describing the lineshape with a Breit-Wigner function, the mass splitting between the χ c1 (3872) and ψ(2S) states, Δm, and the width of the χ c1 (3872) state, Γ BW , are determined to be Δm=185.598 ± 0.067 ± 0.068 MeV, Γ BW = 1.39 ± 0.24 ± 0.10 MeV, where the first uncertainty is statistical and the second systematic. Using a Flatté-inspired model, the mode and full width at half maximum of the lineshape are determined to be mode = 3871.69+0.00+0.05 – 0.04–0.13 MeV, FWHM=0.22 +0.07+0.11–0.06–0.13 MeV. An investigation of the analytic structure of the Flatté amplitude reveals a pole structure, which is compatible with a quasibound D 0 D¯ *0 state but a quasivirtual state is still allowed at the level of 2 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Factors influencing quantum evaporation of helium from polar semiconductors from first principles

While there is much indirect evidence for the existence of dark matter (DM), to date it has evaded detection. Current efforts focus on DM masses over ~GeV—to push the sensitivity of DM searches to lower masses, new DM targets and detection schemes are needed. In this work, we focus on the latter—a novel detection scheme recently proposed to detect 10–100 meV phonons in polar target materials. Previous work showed that well-motivated models of DM can interact with polar semiconductors to produce an athermal population of phonons. This new sensing scheme proposes that these phonons then facilitate quantum evaporation of 3 He from a van der Waals film deposited on the target material. However, a fundamental understanding of the underlying process is still unclear, with several uncertainties related to the precise rate of evaporation and how it can be controlled. In this work, we use ab initio density functional theory calculations to compare the adsorption energies of helium atoms on a polar target material, sodium iodide, to understand the underlying evaporation physics. We explore the role of surface termination, monolayer coverage, and elemental species on the rate of He evaporation from the target material. Using this, we discuss the optimal target features for He-evaporation experiments and their range of tunability through chemical and physical modifications such as applied field and surface termination.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Smallest Nanoelectronics with Adatom Chains

This viewgraph presentation is focused on the general aspect of atomic chain electronics that I have been studying. Results have been published before, but are being rederived here using a new physical/mathematical picture/model, which deepens the physical understanding. Precise adatom structures can be used as a template on a regulated surface with no uncertainty.

Yamada, Toshishige↗
DOE OSTI2023

Beam-Based Target Alignment for Mu2e

The Mu2e Experiment is a precision experiment at Fermi National Accelerator Laboratory, searching for charged lepton flavor violation (CLFV) in the conversion of a muon to an electron in the presence of an atomic nucleus. In order to achieve the expected single-event sensitivity of $3\times 10^{-17}$ , Mu2e will require an intense muon beam, generated via pion decay. These pions are the product of a proton beam striking a radiatively-cooled tungsten target. In order to maximize pion production and prevent target failure, the beam will have to be aligned with the target center to within 0.5 mm. The production target monitor (PTM) will ensure this alignment. The PTM consists of a series of proportional wire chambers (PWC’s) upstream and downstream of the production target. In this dissertation, I explain the requirements of this detector system and derive the decisions about which detector model to use and how they should be arranged from these requirements. After this, I describe my e xperience building the detectors and show an early use for them in the Mu2e proton beam. I also performed a study of the sensitivity and time resolution of this model of PWC and its electronics, and give the results here. I then describe a series of simulation campaigns which shed light on the interactions between the beam and the target, and how these interactions manifest on the downstream detectors. Finally, I give the target scanning procedure to be used to align the beam and target during experiment start up.

43 PARTICLE ACCELERATORS↗
NASA NTRS2004

The Investigation Of Carbon Contamination And Sputtering Effects Of Xenon Ion Thrusters

The Electro-Physics Branch of the NASA Glenn Research Center investigates the effect of atomic oxygen, environmental durability of high performance power materials and surfaces, and low earth orbit. One of its current projects involves the analysis of ion thrusters. Ion thrusters are devices that initiate a beam of ions to a target area. The type of ion thruster that I have been working with this Summer of 2004 emits positively charged Xenon (Xe(+)) atoms through two grids, the screen grid and the accelerator grid, after it enters an ionization chamber. Insulators are used to mechanically hold and separate these two grids. A propellant isolator, an instrument that closely resembles insulators, is placed in front of the ionization chamber. Both the insulator and isolator are made with a ceramic compound and filled with insulating beads. The main difference between the two devices is that the propellant isolator allows gas to flow through, in this case, the gas is Xe(+) and the insulators do not. In order to avoid carbon deposits and other contaminating chemicals to settle on the insulators and propellant isolator, a metal shadow shield is placed around them. These shadow shields function as a protectant and can be shaped in numerous configurations. Part of my job responsibility this summer is to investigate the effectiveness of different shadow shields that are utilized on three different ion engines: the NSTAR (NASA Solar Electric Propulsion Technology Application Readiness), JIMO (Jupiter Icy Moons Orbiter), and NEXIS (Nuclear Electric Xenon Ion System). Using calculus and other mathematical tactics, I was asked to find the total flux of carbon contamination that was able to pass the protectant shadow shield. I familiarized myself with the software program, MathCad2004, to help perform some mathematical computations such as complex integration. Another method of studying the probability of contamination is by experimental simulation. After attaining the precise parameters of the actual shadow shields, I created replicas of three types of shadow shielding to be used to undergo testing. It will be placed in a machine that produces carbon atoms at a high temperature of 200 C. or beam is aimed at a targeted material. As a result of this collision, atoms and other particles are ejected out of the target surface. Another part of my internship consisted of research on sputter ejection, or the angle distribution of sputtered material. This research entailed finding the past results of sputter ejection investigation as well as creating another type of mock simulation. Other minor projects include calculating the path of Xe(+) gas through the insulating beads of the isolators and assisting my mentor in collecting data for his paper for the Joint Propulsion Conference & Exhibit to be held July 11-14,2004 in Fort Lauderdale, Florida.

Prak, Moline K.↗
DOE OSTI2025

Continuous Encodable Reshaping of Gold Nanocrystals through Facet Modulation

Shape control of nanocrystals (NCs) is crucial for tuning their assembly behavior and functional properties, yet the precise manipulation of facet composition remains challenging. Here, we present a nanocrystal reshaping strategy to control and modulate the facets of gold (Au) NCs. Our one-pot approach, conducted at room temperature, requires only initial Au NCs, Au 3+ ions, and surfactants, distinguishing it from conventional reduction-mediated “etching-and-regrowth” methods. Detailed structural studies using electron microscopy, small-angle X-ray scattering (SAXS), and UV−vis spectroscopy reveal the surfactant-encoded pathway for NC transformation from shaped particles to spheres and then into various polyhedral shapes while preserving the individual particles' volume. The proposed reshaping mechanism involves the dissolution of surface Au atoms into Au + complexes in the presence of Au 3+ and surfactant, followed by surfactant-guided redeposition and formation of facets with different atomic planes. Using the ethanol oxidation reaction (EOR) as a probe, we observe a quasi-linear decrease in onset potential and an increase in activity with increasing {100} facet exposure. This work broadens synthetic strategies by offering precise NC reshaping and facet control.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Beagle 2: The Next Exobiology Mission to Mars

Beagle 2 is a 60 kg probe (with a 30 kg lander) developed in the United Kingdom for inclusion on the European Space Agency's 2003 Mars Express. Beagle 2 will deliver to the Martian surface a payload which consists of a high percentage of science instruments to landed spacecraft mass. Beagle 2 will be launched in June, 2003 with Mars Express on a Soyuz-Fregat rocket from the Baikonur Cosmodrome in Kazakhstan. Beagle 2 will land on Mars on December 26, 2003 in the Isidis Planitia basin (approximately 10 degrees N and 275 degrees W), a large sedimentary basin that overlies the boundary between ancient highlands and northern plains. Isidis Planitia, the third largest basin on Mars, which is possibly filled with sediment deposited at the bottom of long-standing lakes or seas, offers an ideal environment for preserving traces of life. Beagle 2 was developed to search for organic material and other volatiles on and below the surface of Mars in addition to the study of the inorganic chemistry and mineralogy. Beagle 2 will utilize a mechanical mole and grinder to obtain samples from below the surface, under rocks and inside rocks. A pair of stereo cameras will image the landing site along with a microscope for examination of surface and rock samples. Analyses will include both rock and soil samples at various wavelengths, X-ray spectrometer and Mossbauer spectrometer as well as a search for organics and other light element species (e.g. carbonates and water) and measurement of their isotopic compositions. Beagle 2 has as its focus the goal of establishing whether evidence for life existed in the past on Mars at the Isidis Planitia site or at least establishing if the conditions were ever suitable. Carbonates and organic components were first recognized as existing on Mars when they were found in the Martian meteorite Nakhla. Romanek et al showed the carbonates in ALH84001 were formed at low temperatures. McKay et al noted possible evidence of early life on Mars within the ALH84001 meteorite. Thomas-Keprta et al showed the magnetite biomarkers in ALH84001's carbonates are indistinguishable from those formed by magnetotactic bacteria found on Earth. Gibson et al showed there was significant evidence for liquid water and biogenic products present on Mars across a 3.9 billion year period. A mechanical arm (PAW) operates from the lander and is used for science operations along with sample acquisition. Instruments attached to the PAW include: stereo cameras, Mossbauer instrument, X-ray fluorescence instrument, microscope, environmental sensors, rock corer/grinder, a spoon, mirror, brushes, a mole attachment for acquisition of subsurface to depths of 1 to 2 meters and an illumination device. Each camera has 14 filters which have been optimized for mineralogy composition, dust and water vapor detection. The microscope's camera is designed for viewing the size and shape of dust particles, rock surfaces, microfossils, and characteristics of the samples prior to introduction into the gas analysis package (GAP). The camera has a resolution of 4 microns/pixel, features four color capability (red, green, blue and UV (ultraviolet) fluoresence), a depth of focus of 40 micrometers and translation stage of +3 millimeters. The heart of the Beagle 2's life detection package is the gas analysis package (GAP), which consists of a mass spectrometer with collectors at fixed masses for precise isotopic ratio measurements and voltage scanning for spectral analysis. Primary aim of the GAP is to search for the presence of bulk constituents, individual species, and isotopic fractionations for both extinct and extent life along with studying the low-temperature geochemistry of the hydrogen, carbon, nitrogen and oxygen components on Mars from both the surface and atmosphere. GAP is a magnetic sector mass spectrometer with the range of 1 to 140 amu which can be operated in both the static and dynamic modes. A triple Faraday collector array will be used for C, N and O ratios along with a double Faraday array for H/D. Pulse counting electron multiplier will be utilized for noble gases and selected organics. Anticipated detection limits are at the picomole level for operation in the static mode of operation and high precision isotopic measurements will be made in the dynamic mode. Sample processing and preparation system consists of reaction vessels along with references. Sample ovens capable of being heated are attached to the manifold for sample combustion. Surface, subsurface materials and interior rock specimens will be combusted in pure oxygen gas at various temperature intervals to release organic matter and volatiles. Combustion process will permit detection of all forms and all atoms of carbon present in the samples. A chemical processing system is capable of a variety of conversion reactions. Gases are manipulated either by cryogenic or chemical reactions and passed through the gas handling portion of the vacuum system. There are two modes of operation: quantitative analysis and precise isotopic measurements. Additional information is contained in the original extended abstract.

Gibson, Everett K., Jr.↗