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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Atom Probe Tomography for the Observation of Hydrogen in Materials: A Review

Atom probe tomography (APT) is an emerging microscopy technique that has high sensitivity for hydrogen with sub-nanometre-scale spatial resolution, which makes it a unique method to investigate the atomic-scale distribution of hydrogen at interfaces and defects in materials. This article introduces the basics of APT-based hydrogen analysis, particularly the challenge of distinguishing a hydrogen background signal in APT by using hydrogen isotopes, along with strategies to yield high-quality analysis. This article also reviews several important findings on hydrogen distribution in a range of materials, including both structural alloys and functional materials, enabled by using APT. Limitations and future opportunities for hydrogen analysis by APT are also discussed.

42 ENGINEERING↗
DOE OSTI2022

1 / ω electric-field noise in surface ion traps from correlated adsorbate dynamics

Ion traps are promising architectures for implementing quantum computers, but they suffer from excessive “anomalous” ion motional heating that limit their overall coherence and practicality for scalable quantum computing. The exact microscopic origins of anomalous heating remain an open question, but experiments point to adsorbates on trap electrodes as one likely source. Many different models of anomalous heating have been proposed, but these models have yet to pinpoint the atomistic origin of the experimentally observed 1/ω electric-field noise scaling seen in ion traps at frequencies between 0.1–10 MHz. In this work, we show that a model based on previously proposed surface-induced dipole fluctuations on adsorbates, but which also incorporates interparticle interaction dynamics through molecular dynamics simulations of up to multiple monolayers of adsorbates, gives rise to 1/ω frequency scaling at the MHz frequencies typically employed in ion traps. Overall, these results demonstrate that moderate-to-high densities of adsorbates can give rise to a set of activated motions that produce the 1/ω noise observed in ion traps and that collective adsorbate motions produce the observed noise spectra that a noninteracting model does not capture.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Models of Rapid Solidification

Laser annealing studies provide much information on various consequences of rapid solidification, including the trapping of impurities in the crystal, the generation of vacancies and twins, and on the fundamental limits to the speed of the crystal-melt interface. Some results obtained by molecular dynamics methods of the solidification of a Lennard-Jones liquid are reviewed. An indication of the relationship of interface speed to undercooling for certain materials can be derived from this model. Ising model simulations of impurity trapping in silicon are compared with some of the laser annealing results. The consequences of interface segregation and atomic strain are discussed.

Gilmer, G. H.↗
NASA NTRS1987

Gigarad-tolerant power switches and memory elements

A new class of silicon devices operating without p-n junctions has been studied for radiation hardness. The electric field in these devices is uniform over most of the device, thus causing high-voltage breakdown to increase with electrode spacing. Deep acceptor levels are created in the silicon by diffusing gold atoms into the lattice, or by electron radiation. These acceptor levels, near the center of the band gap, trap out electrons so that the low resistivity of the n-type doped wafer can be raised to intrinsic resistivity. Switching between a high-resistivity state at low currents and a low-resistivity state at high currents occurs at a definite threshold voltage, exhibiting characteristics similar to silicon-controlled rectifiers. Compensating 0.1 ohm-meter (10 ohm-cm) silicon wafers requires electron fluxes of 10 to the 23rd electrons per square meter (10 to the 19th electrons per square centimeter). Experiments demonstrating gamma tolerance to 1 Gigarad(Si) are described. Calculations for maximum tolerable neutron fluence are shown, and a phenomenological explanation for these results is presented.

Joyner, W. T.↗
NASA NTRS1996

Microstructural Characterization of Semi-Interpenetrating Polymer Networks by Positron Lifetime Spectroscopy

Thermoset and thermoplastic polyimides have complementary physical and mechanical properties. Whereas thermoset polyimides are brittle and generally easier to process, thermoplastic polyimides are tough but harder to process. A combination of these two types of polyimides may help produce polymers more suitable for aerospace applications. Semi-Interpenetrating Polymer Networks (S-IPN) of thermoset LaRC(TM)-RP46 and thermoplastic LaRC(TM)-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 and mechanical properties. As expected, positronium atoms are not formed in these samples. The second lifetime component has been used to infer the positron trap dimensions. The 'free volume' goes through a minimum at a ratio of about 50:50, and this suggests that S-IPN samples are not merely solid solutions of the two polymers. These data and related structural properties of the S-IPN samples are discussed.

Singh, Jag J.↗
DOE OSTI2026

Multiscale study of helium diffusion in Ni-Cr alloys: Short-range trapping versus long-range channeling

Ni-Cr alloys are widely employed as structural materials in fast nuclear reactors but are vulnerable to high-temperature helium (He) embrittlement (HTHE) under fast neutron irradiation. A comprehensive understanding of He diffusion in Ni-Cr alloys, which governs the kinetics of HTHE, is therefore essential for developing resilient materials and preventing failure. In this work, we reveal the underlying mechanisms of He diffusion in pure Ni and Ni-Cr alloys by integrating density functional theory (DFT) with atomic kinetic Monte Carlo (AKMC) simulations. Our findings uncover a non-monotonic dependence of He diffusivity on Cr concentration, contradicting the monotonic trends predicted by DFT-parameterized theories. At low Cr concentrations, He diffusion is dominated by short-range trapping, characterized by multiple trapping sites and a distinct mechanism within the first nearest neighbor of Cr, differing from that in pure Ni. At high Cr concentrations, these local traps become interconnected, forming long-range fast diffusion channels that enhance He mobility. The competition between localized trapping and extended channeling results in a diffusivity that first decreases, then increases with rising Cr content. These atomic-scale insights offer critical guidance for the design of radiation-tolerant Ni-based alloys. Moreover, the combined DFT-AKMC methodology and the concept of random walker diffusion through interconnected energy basins present a broadly applicable framework for studying transport phenomena in disordered systems.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Mitigation of birefringence in cavity-based quantum networks using frequency-encoded photons

Atom-cavity systems offer unique advantages for building large-scale distributed quantum computers by providing strong atom-photon coupling while allowing for high-fidelity local operations of atomic qubits. However, in prevalent schemes where the photonic state is encoded in polarization, cavity birefringence introduces an energy splitting of the cavity eigenmodes and alters the polarization states, thus limiting the fidelity of remote entanglement generation. To address this challenge, we propose a scheme that encodes the photonic qubit in the frequency degree-of-freedom. The scheme relies on resonant coupling of multiple transverse cavity modes to different atomic transitions that are well-separated in frequency. We numerically investigate the temporal properties of the photonic wavepacket, two-photon interference visibility, and atom-atom entanglement fidelity under various cavity polarization-mode splittings and find that our scheme is less affected by cavity birefringence. Finally, we propose practical implementations in two trapped ion systems, using the fine structure splitting in the metastable D state of 40 Ca + , and the hyperfine splitting in the ground state of 225 Ra + . Furthermore, our study presents an alternative approach for cavity-based quantum networks that is less sensitive to birefringent effects, and is applicable to a variety of atomic and solid-state emitter-cavity interfaces.

Cavity quantum electrodynamics↗
DOE OSTI2021

Molecular dynamics studies of lattice defect effects on tritium diffusion in zirconium

Tritium diffusion in α-Zr containing point defects such as vacancies or self-interstitial atoms (SIAs) is simulated using molecular dynamics. Point defects rapidly aggregate to form extended defects, such as 3D nanoclusters and Frank loops. The geometry of extended defects is affected by the presence of tritium. At low temperature and in the absence of tritium, vacancies aggregate to form stacking fault pyramids. Addition of tritium at these temperatures promotes aggregation of vacancies to form 3D nanoclusters, within which the tritium concentration can be sufficiently high to suggest that these defects may serve as nucleation sites for hydride precipitation. Trapping of tritium in vacancy nanocluster reduces the calculated bulk diffusivity by an amount proportional to the vacancy concentration. At high temperature, vacancy clusters change shape to form planar basal dislocation loops, which bind tritium less strongly, leading to a sharp reduction in the fraction of trapped tritium and a corresponding increase in tritium diffusivity at high temperature. In contrast, SIAs increase tritium diffusion through α-Zr. Analysis of atomic trajectories shows that tritium does not interact directly with SIAs. In conclusion, diffusion enhancement is instead related to expansion of the lattice.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Heavy ion plasma confinement in an RF quadrupole trap

The confinement of an electron free plasma in a pure quadrupole RF electric trap was considered. The ultimate goal was to produce a large density of mercury ions, in order to realize a trapped ion frequency standard using the hyperfine resonance of 199 Hg(+) at 40.7 GHz. An attempt was made to obtain an iodine plasma consisting of equal numbers of positive and negative ions of atomic iodine, the positive iodine ions, being susceptible to charge-exchange with mercury atoms, will produce the desired mercury ions. The experiment showed that the photoproduction of ions pairs in iodine using the necessary UV radiation occurs with a small cross-section, making it difficult to demonstrate the feasibility of space charge neutralization in a quadrupole trap. For this reason it was considered expedient to choose thallium iodide, which has a more favorable absorption spectrum (in the region of 2000 to 2100 A). The results indicate that, although the ionic recombination is a serious limiting factor, a considerable improvement can be obtained in practice for the density of trapped ions, with a considerable advantage in lifetimes for spectroscopic purposes. The ion pair formation by photoionization is briefly reviewed.

Schermann, J.↗
NASA NTRS1984

Absolute Transition Probabilities of Lines in the Spectra of Astrophysical Atoms, Molecules, and Ions

Progress in the investigation of absolute transition probabilities (A-values or F values) for ultraviolet lines is reported. A radio frequency ion trap was used for measurement of transition probabilities for intersystem lines seen in astronomical spectra. The intersystem line at 2670 A in Al II, which is seen in pre-main sequence stars and symbiotic stars, was studied.

Parkinson, W. H.↗
DOE OSTI2022

The seeds and homogeneous nucleation of photoinduced nonthermal melting in semiconductors due to self-amplified local dynamic instability

Laser-induced nonthermal melting in semiconductors has been studied over the past four decades, but the underlying mechanism is still under debate. Here, by using an advanced real-time time-dependent density functional theory simulation, we reveal that the photoexcitation-induced ultrafast nonthermal melting in silicon occurs via homogeneous nucleation with random seeds originating from a self-amplified local dynamic instability. Because of this local dynamic instability, any initial small random thermal displacements of atoms can be amplified by a charge transfer of photoexcited carriers, which, in turn, creates a local self-trapping center for the excited carriers and yields the random nucleation seeds. Because a sufficient amount of photoexcited hot carriers must be cooled down to band edges before participating in the self-amplification of local lattice distortions, the time needed for hot carrier cooling is the response for the longer melting time scales at shorter laser wavelengths. This finding provides fresh insights into photoinduced ultrafast nonthermal melting.

42 ENGINEERING↗
NASA NTRS1996

Cooperative Effects in a One Photon Micromaser

For small photon numbers, trapping states are difficult to detect due to the influence of the collective effects. We find that if the atoms are injected with atomic polarization, the micromaser becomes more insensitive to these effects. In particular, the squeezing properties of the cotangent states are basically unchanged.

Orszag, Miguel↗
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 OSTI2024

Defect-Limited Mobility and Defect Thermochemistry in Mixed A-Cation Tin Perovskites: (CH3NH3)1-xCsxSnBr3

Hybrid organic-inorganic semiconductors crystallizing in the perovskite structure present a significant opportunity for realizing defect-tolerant semiconductors. In this work, we examine the solid solution, (CH3NH3)1-xCsxSnBr3, and identify the thermochemistry dictating the intrinsic carrier concentrations and how local structural distortions influences this electronic behavior. This family of compounds exhibits the expected systematic trend in decreasing optical gap with the cesium to methylammonium A-site mixing ratio, x, in the visible region. However, the carrier mobility, as determined from time-resolved microwave conductivity measurements, trends opposite to that expected from first-principles calculations combined with Boltzmann scattering theory calculations of the carrier mobility. We propose that this is a result of increasing carrier scattering with x in (CH3NH3)1-xCsxSnBr3 due to a significant increase in the carrier density with x. By examining the dependence of the carrier density as a function of x, we infer the compositional-dependence of the average enthalpy and nonconfigurational entropy per defect. While diffraction reveals a cubic aristotypic perovskite structure as a function of x at room temperature, the pair distribution functions obtained from synchrotron X-ray total scattering from these materials are better described by symmetry-adapted displacement modes of the Pm3m crystal structure, which we attribute to a large degree of anharmonic dynamics of the atom positions. This analysis shows that CH3NH3+-rich compositions retain mostly linear Sn-Br-Sn bonding environments through the displacements, while Cs+-rich compositions lead to more significantly bent Sn-Br-Sn environments. We propose that these bent bonding arrangements in Cs-rich compositions yield a higher propensity for defect formation. This also provides a rationale for carrier trapping that gives rise to anomalous microwave transients. Together, these results provide insight into the structure-dynamics-properties relationships in this highly anharmonic system with high amplitude atomic motions and low defect formation energies.

defect thermochemistry↗
NASA NTRS1978

Gravitational and radiative effects on the escape of helium from the moon

On the moon, and probably on Mercury and other similar regolith-covered bodies with tenuous atmosphere, the dominant gas is He-4. It arises as the radiogenic product of the decay of uranium and thorium within any planet, but its major source appears to be the alpha particle flux of the solar wind. The moon intercepts solar wind helium at an average rate of 1.1 times 10 to the 24th atom/sec, and loses it at the same rate. Some helium may escape directly as the result of the process of solar wind soil bombardment which may release previously trapped helium at superthermal speeds. Atmospheric models have been calculated with the total helium influx as source. Subsequent comparison of model and measured helium concentrations indicates that the fraction of helium escaping via the atmosphere may range from 20% to 100% of the solar wind influx. Of the escaping atmosphere, most of the helium (about 93%) becomes trapped in earth orbit, while about 5% gets trapped in satellite orbits about the moon. Owing to a 6 month lifetime for helium in solar radiation, the satellite atoms form a lunar corona that exceeds the lunar atmosphere in total abundance by a factor of 4 to 5.

Hodges, R. R., Jr.↗
NASA NTRS1984

Measurement of heavy cosmic-ray nuclei on LDEF (M0002-2)

The objective of this experiment is to measure the elemental and isotopic abundamces of heavy cosmic-ray nuclei with nuclear charge Z equal to or greater than 3. The chemical and energy spectra will be measured for particles that have energies in the range from 20 to 1000 MeV per atomic mass unit. Two points of great interest are geomagneticaly forbidden cosmic-ray particles and heavy ions of the trapped radiation.

Beaujean, R.↗
NASA NTRS2007

Progress in Spacecraft Environment Interactions: International Space Station (ISS) Development and Operations

The set of spacecraft interactions with the space flight environment that have produced the largest impacts on the design, verification, and operation of the International Space Station (ISS) Program during the May 2000 to May 2007 time frame are the focus of this paper. In-flight data, flight crew observations, and the results of ground-based test and analysis directly supporting programmatic and operational decision-making are reported as are the analysis and simulation efforts that have led to new knowledge and capabilities supporting current and future space explorations programs. The specific spacecraft-environment interactions that have had the greatest impact on ISS Program activities during the first several years of flight are: 1) spacecraft charging, 2) micrometeoroids and orbital debris effects, 3) ionizing radiation (both total dose to materials and single event effects [SEE] on avionics), 4) hypergolic rocket engine plume impingement effects, 5) venting/dumping of liquids, 6) spacecraft contamination effects, 7) neutral atmosphere and atomic oxygen effects, 8) satellite drag effects, and 9) solar ultraviolet effects. Orbital inclination (51.6deg) and altitude (nominally between 350 km and 460 km) determine the set of natural environment factors affecting the performance and reliability of materials and systems on ISS. ISS operates in the F2 region of Earth s ionosphere in well-defined fluxes of atomic oxygen, other ionospheric plasma species, solar UV, VUV, and x-ray radiation as well as galactic cosmic rays, trapped radiation, and solar cosmic rays. The micrometeoroid and orbital debris environment is an important determinant of spacecraft design and operations in any orbital inclination. The induced environment results from ISS interactions with the natural environment as well as environmental factors produced by ISS itself and visiting vehicles. Examples include ram-wake effects, hypergolic thruster plume impingement, materials out-gassing, venting and dumping of fluids, and specific photovoltaic (PV) power system interactions with the ionospheric plasma. Vehicle size (L) and velocity (v), combined with the magnitude and direction of the geomagnetic field (B) produce operationally significant magnetic induction voltages (VxB.L) in ISS conducting structure during high latitude flight (>+/- 45deg) during each orbit. In addition, ISS is a large vehicle and produces a deep wake structure from which both ionospheric plasma and neutrals species are largely excluded. ISS must fly in a very limited number of approved flight attitudes, so that exposure of a particular material or system to environmental factors depends upon: 1) location on ISS, 2) ISS flight configuration, 3) ISS flight attitude, and 4) variation of solar exposure (Beta angle), and hence thermal environment, with time. Finally, an induced ionizing radiation environment is produced by trapped radiation and solar/cosmic ray interactions with the relatively massive ISS structural shielding.

Koontz, Steve↗