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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dynamics of plasma atomic layer etching: Molecular dynamics simulations and optical emission spectroscopy

Atomic layer etching is intrinsically dynamic as it involves sequential and repeated exposures of a surface to be etched with different species at different energies. The composition and structure of the near surface region change in both time and depth. Full understanding of this process requires resolving both temporal and spatial variations. In this work, we consider silicon (Si) atomic layer etching (ALE) by alternating exposure to chlorine gas (Cl 2 ) and argon ions (Ar + ). Molecular dynamics (MD) simulations are compared to experimental measurements with the aim of better understanding the dynamics of ALE and to test the simulation procedure. The simulations help to more fully interpret the experimental measurements. Further, optical emission measured just above the surface being etched can be related to etch products and can, therefore, be directly compared to simulation predictions. The simulations capture the measured initial product distribution leaving the surface and match the measured etch per cycle reasonably well. While simulations demonstrate the importance of ion-induced surface damage and mixing into a layer below the surface, the depth of which depends mainly on ion energy, the experiments suggest there is more Cl mixed into the layer than the MD procedure predicts.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Test of Causal Nonlinear Quantum Mechanics by Ramsey Interferometry with a Trapped Ion

Quantum mechanics requires the time evolution of the wave function to be linear. While this feature has been associated with the preservation of causality, a consistent causal nonlinear theory was recently developed. Interestingly, this theory is unavoidably sensitive to the full physical spread of the wave function, rendering existing experimental tests for nonlinearities inapplicable. Here, in this work, using well-controlled motional superpositions of a trapped ion, we set a stringent limit of 5.4×10 –12 on the magnitude of the unitless scaling factor $\tilde{ε}_γ$ for the predicted causal nonlinear perturbation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A three-layer magnetic shielding for the MAIUS-1 mission on a sounding rocket

Bose-Einstein-Condensates (BECs) can be used as a very sensitive tool for experiments on fundamental questions in physics like testing the equivalence principle using matter wave interferometry. Since the sensitivity of these experiments in ground-based environments is limited by the available free fall time, the QUANTUS project started to perform BEC interferometry experiments in micro-gravity. After successful campaigns in the drop tower, the next step is a space-borne experiment. The MAIUS-mission will be an atom-optical experiment that will show the feasibility of experiments with ultra-cold quantum gases in microgravity in a sounding rocket. The experiment will create a BEC of 10{sup 5} {sup 87}Rb-atoms in less than 5 s and will demonstrate application of basic atom interferometer techniques over a flight time of 6 min. The hardware is specifically designed to match the requirements of a sounding rocket mission. Special attention is thereby spent on the appropriate magnetic shielding from varying magnetic fields during the rocket flight, since the experiment procedures are very sensitive to external magnetic fields. A three-layer magnetic shielding provides a high shielding effectiveness factor of at least 1000 for an undisturbed operation of the experiment. The design of this magnetic shielding, the magnetic properties, simulations, and tests of its suitability for a sounding rocket flight are presented in this article.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Scattering-type scanning near-field optical microscopy with Akiyama piezo-probes

Recent developments of the scattering-type scanning near-field optical microscope at cryogenic temperatures (cryogenic s-SNOM or cryo-SNOM) have led to many breakthroughs in the studies of low energy excitations in quantum materials. However, the simultaneous demands on vibration isolation, low base temperature, precise nano-positioning, and optical access make the construction of a cryo-SNOM a daunting task. Adding to the overhead space required for a cryo-SNOM is the atomic force microscopy control, which predominantly utilizes a laser-based detection scheme for determining the cantilever tapping motion. In this work, we provide an alternative and straightforward route to performing s-SNOM using metal-coated Akiyama probes, where the cantilever tapping motion is detected through a piezoelectric signal. We show that the Akiyama-based cryo-SNOM attains high spatial resolution, good near-field contrast, and is able to perform imaging with a significantly more compact system compared to other cryo-SNOM implementations. Our results firmly establish the potential of s-SNOM based on self-sensing piezo-probes, which can easily accommodate far-infrared wavelengths and high magnetic fields in the future.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Set-up of a high-resolution 300 mK atomic force microscope in an ultra-high vacuum compatible {sup 3}He/10 T cryostat

The design of an atomic force microscope with an all-fiber interferometric detection scheme capable of atomic resolution at about 500 mK is presented. The microscope body is connected to a small pumped {sup 3}He reservoir with a base temperature of about 300 mK. The bakeable insert with the cooling stage can be moved from its measurement position inside the bore of a superconducting 10 T magnet into an ultra-high vacuum chamber, where the tip and sample can be exchanged in situ. Moreover, single atoms or molecules can be evaporated onto a cold substrate located inside the microscope. Two side chambers are equipped with standard surface preparation and surface analysis tools. The performance of the microscope at low temperatures is demonstrated by resolving single Co atoms on Mn/W(110) and by showing atomic resolution on NaCl(001).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Determination of the conformational ensemble of the TAR RNA by X-ray scattering interferometry

The conformational ensembles of structured RNA’s are crucial for biological function, but they remain difficult to elucidate experimentally. We demonstrate with HIV-1 TAR RNA that X-ray scattering interferometry (XSI) can be used to determine RNA conformational ensembles. X-ray scattering interferometry (XSI) is based on site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribution of inter-probe distances that arise from a heterogeneous mixture of RNA solution structures. We show that the XSI-based model of the TAR RNA ensemble closely resembles an independent model derived from NMR-RDC data. Further, we show how the TAR RNA ensemble changes shape at different salt concentrations. Finally, we demonstrate that a single hybrid model of the TAR RNA ensemble simultaneously fits both the XSI and NMR-RDC data set and show that XSI can be combined with NMRRDC to further improve the quality of the determined ensemble. The results suggest that XSI-RNA will be a powerful approach for characterizing the solution conformational ensembles of RNAs and RNA-protein complexes under diverse solution conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

A new experiment to test parity symmetry in cold chiral molecules using vibrational spectroscopy

We present a brief review of our progress towards measuring parity violation in heavy-metal chiral complexes using mid-IR Ramsey interferometry. We discuss our progress addressing the main challenges, including the development of buffer-gas sources of slow, cold polyatomic molecules, and the frequency-stabilisation of quantum cascade lasers calibrated using primary frequency standards. We report investigations on achiral test species of which promising chiral derivatives have been synthesised. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Requirements for probing chiral Casimir-Polder forces in a molecular Talbot-Lau interferometer

We theoretically investigate the influence of chiral Casimir-Polder (CP) forces in Talbot-Lau interferometry, based on three nanomechanical gratings. We study scenarios where the second grating is either directly written into a chiral material or where the nanomask is coated with chiral substances. We show requirements for probing enantiospecific effects in matter-wave interferometry in the transmission signal and the interference fringe visibility, which depend on the de Broglie wavelength and the molecular chirality. The proposed setup is particularly sensitive to CP forces in the nonretarded regime where chiral effects can be comparable in magnitude to their electric and magnetic counterparts. While the first and third gratings do not change the phase of the matter wave, applying a coating of chiral substances to them enhances the instrument's chiral selectivity. Published by the American Physical Society 2024

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Probing Light Atoms at Subnanometer Resolution: Realization of Scanning Transmission Electron Microscope Holography

Atomic resolution imaging of light elements in electron-transparent materials has long been a challenge. Biomolecular materials, for example, are rapidly altered by incident electrons. We demonstrate a scanning transmission electron microscopy (STEM) technique, called STEM holography, capable of efficient structural analysis of beam-sensitive nanomaterials. STEM holography measures the absolute phase and amplitude of electrons passed through a specimen via interference with a vacuum reference wave. We use an amplitude-dividing nanofabricated grating to prepare multiple beams focused at the sample. We configure the postspecimen microscope imaging system to overlap the beams, forming an interference pattern. We record and analyze the pattern at each 2D-raster-scan-position, reconstructing the complex object wave. As a demonstration, we image gold nanoparticles on an amorphous carbon substrate at 2.4 Å resolution. In conclusion STEM holography offers higher contrast of the carbon while maintaining gold atomic lattice resolution compared to high angle annular dark field STEM.

4D-STEM↗
DOE OSTI2026

Titanium alloy response sensitivity to variations in spectral reconstructions of National Ignition Facility xenon line-emission x-ray sources

Thermomechanical shock experiments on the National Ignition Facility (NIF) aim to study high strain rate dynamic material response. In such experiments, the NIF laser is used to generate high fluence x-ray emission sources, which irradiate material samples of interest. Under sufficiently high x-ray energy deposition, thermomechanical impulses are generated in the materials. While it is known that the characteristics of x-ray generated impulses vary as a function of incident x-ray spectra, it remains unclear how spectral assumptions and uncertainties in NIF spectral reconstructions affect our interpretation of impulsive loading. Here, in this paper, we simulate the response of a standard titanium alloy baseline sample to synthetic analytically derived and measured NIF xenon line-emission x-ray sources with a radiation hydrodynamics code. We vary the source spectral characteristics based on different source reconstruction techniques to understand the resulting variation in baseline sample response and compare the simulated response with experimental results. We find that the response is highly sensitive to assumptions made about the spectral contents and that knowledge of spectral uncertainties bounds our understanding of the resulting material response. The results of this effort help to extend our ability to use baseline material samples to extract quantitative properties from x-ray experiments on the NIF.

Alloys↗
DOE OSTI2018

A Laboratory Atom Interferometer Instrument

We have demonstrated a laboratory based, high bandwidth atom interferometer instrument and have performed an incipient gravity measurement with a fractional statistical uncertainty of ag/g = 4.4 x 10 -6 where g is the acceleration due to gravity. We have designed, constructed, and optimised numerous laser systems for this purpose, most notably a powerful Raman laser (12 W at 780 nm) which will allow large momentum transfer and large detuning interferometry to be carried out at high bandwidth for the first time. This experiment is a general purpose test bed for exploring the fundamental limitations of atom interferometer techniques.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

High-throughput nuclear resonance time domain interferometry using annular slits

Nuclear resonance time domain interferometry (NR-TDI) is used to study the slow dynamics of liquids (that do not require Mössbauer isotopes) at atomic and molecular length scales. Here the TDI method of using a stationary two-line magnetized 57 Fe foil as a source and a stationary single-line stainless steel foil analyzer is employed. The new technique of adding an annular slit in front of a single silicon avalanche photodiode detector enables a wide range of momentum transfers (1 to 100 nm -1 by varying the distance between the annular slits and sample) with a high count rate of up to 160 Hz with a Δ q resolution of ±1.7 nm -1 at q = 14 nm -1 . The sensitivity of this method in determining relaxation times is quantified and discussed. The Kohlrausch–Williams–Watts (KWW) model was used to extract relaxation times for glycerol. These relaxation times give insight into the dynamics of the electron density fluctuations of glycerol as a function of temperature and momentum transfers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Generation of gamma radiation by a subterawatt ultrashort laser pulse: optimisation of preplasma and pulse duration

We report an experimental and numerical study of the acceleration of electrons in a plasma interacting with a subterawatt laser pulse (intensity of ∼3 × 10{sup 18} W cm{sup −2} at a pulse duration of 50 fs). A preplasma layer on the surface of a molybdenum target is formed by an additional laser pulse with a duration of 8 ns and an intensity of ∼2 × 10{sup 12} W cm{sup −2}. It is shown that an increase in the laser pulse duration to 1700 fs at a constant energy (and a proportional decrease in intensity) leads to an increase in the yield of bremsstrahlung γ-radiation by more than an order of magnitude when the nanosecond pulse is ahead of the femtosecond one by 15 − 25 ns. Interferometry data and results of diagnostics of optical and γ-radiation of a plasma demonstrate that the collisional ionisation of atoms by electrons oscillating in the field of such a laser pulse plays an essential role in the formation of electron density profile. The sensitivity of the described effect to the level of amplified spontaneous emission is determined, despite the nanosecond pulse impact. Numerical simulations show that at a large pulse duration, the acceleration of electrons is stipulated by the beaking of plasma waves excited during stimulated Raman scattering of laser radiation. (paper)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Complete spectroscopy in the attosecond regime

Harnessing light waveforms at attosecond time scales provides information of the structure and dynamics of matter on it's natural time scales. For this reason attosecond metrology has been at the forefront of the optical sciences for more than a decade, and it represents the latest time-domain frontier of the quantum world. Attosecond light pulses are commonly generated using higher-order harmonic generation (HHG) , a process capable of generating XUV coherent pulses. In addition to generate attosecond pulses, HHG can be used to study the structure and dynamics of atoms and molecules by analyzing the spectral content of the XUV pulses. This approach is known as HHG spectroscopy and it provides a coherent, time-dependent approach to study structure and dynamics in the quantum world. In this proposal we will generate harmonics from two optical foci produced by a system of a two-dimensional spatial light modulator (SLM) and a lens. In the far eld the train of attosecond pulses will interfere creating harmonic-dependent fringes. The position of such fringes is a direct measurement of the relative phase between the two foci and they also carry information about the quantum state of the target atom or molecule. Therefore, by measuring the amplitude and relative phase of the emitted harmonics we will have access to both, the amplitude and phase of the dipole moments of the studied target. Because the two beams are completely indistinguishable from each other up to a few millimeters from the focus, both driving pulses share the exact beam path. So far we have measured a jitter of 700 zeptoseconds with a 12.5 attosecond resolution in the delay control of the two foci. These two time scales represent some of the best time controls ever achieved to date.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Investigation of the Effect of Residual Stress Gradient on the Wear Behavior of PVD Thin Films

The control of residual stresses has been seldom investigated in multilayer coatings dedicated to improvement of wear behavior. Here, we report the preparation and characterization of superposed structures composed of Cr, CrN and CrAlN layers. Nano-multilayers CrN/CrAlN and Cr/CrN/CrAlN were deposited by Physical Vapor Deposition (PVD) onto Si (100) and AISI4140 steel substrates. The Cr, CrN and CrAlN monolayers were developed with an innovative approach in PVD coatings technologies corresponding to deposition with different residual stresses levels. Composition and wear tracks morphologies of the coatings were characterized by scanning electron microscopy, high-resolution transmission electron microscopy, atomic force microscopy, x-ray photoelectron spectroscopy, energy-dispersive x-ray spectroscopy, x-ray diffraction and 3D-surface analyzer. The mechanical properties (hardness, residual stresses and wear) were investigated by nanoindentation, interferometry and micro-tribometry (fretting-wear tests). Observations suggest that multilayer coatings are composed mostly of nanocrystalline. The residual stresses level in the films has practically affected all the physicochemical and mechanical properties as well as the wear behavior. Consequently, it is demonstrated that the coating containing moderate stresses has a better wear behavior compared to the coating developed with higher residual stresses. The friction contact between coated samples and alumina balls shows also a large variety of wear mechanisms. In particular, the abrasive wear of the coatings was a combination of plastic deformation, fine microcracking and microspallation. The application of these multilayers will be wood machining of green wood.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Experimental investigation on the energy deposition and morphology of the electrical explosion of copper wire in vacuum

This paper presents the experimental results of the electrical explosion of copper wires in vacuum using negative nanosecond-pulsed current with magnitude of 1–2 kA. The 20 μm-diameter copper wires with different lengths are exploded with three different current rates. A laser probe is applied to construct the shadowgraphy and interferometry diagnostics to investigate the distribution and morphology of the exploding product. The interference phase shift is reconstructed from the interferogram, by which the atomic density distribution is calculated. Experimental results show that there exist two voltage breakdown modes depending on the amount of the specific energy deposition. For the strong-shunting mode, shunting breakdown occurs, leading to the short-circuit-like current waveform. For the weak-shunting mode with less specific energy deposition, the plasma generated during the voltage breakdown is not enough to form a conductive plasma channel, resulting in overdamped declining current waveform. The influence of the wire length and current rate on the characteristics of the exploding wires is also analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Shock compression of crystalline TeO 2 to the high-pressure fluid regime: Insights from ab initio molecular dynamics simulations

The shock response of fully-dense and porous crystalline tellurium dioxide (TeO 2 ⁠) to the high-pressure and high-temperature fluid regime was investigated within the framework of density functional theory with Mermin’s generalization to finite temperatures. The principal and porous shock Hugoniot curves were predicted from canonical ab initio molecular dynamics (AIMD) simulations, with the phase space sampled along isotherms up to 80 000 K, for densities ranging from ρ = 3 to 17 g/cm 3 . The polymorphs investigated are α-TeO 2 paratellurite (⁠P4 1 2 1 2), TeO 2 cotunnite (⁠Pnma⁠), and TeO 2 post-cotunnite (⁠P2 1 /m⁠). Based on the discontinuity found in the calculated U s – u p slope of TeO 2 post-cotunnite at a shock velocity of U s ≃ 8.35km/s and a particle velocity of u p ≃ 3.64 km/s, the shock melting temperature and pressure are predicted to be ≃ 6500 K and ≃ 170 GPa. Results from the AIMD simulations are in line with the static compression data of TeO 2 paratellurite and cotunnite, and with the recent shock Hugoniot data for single-crystal α- TeO 2 for pressures up to 85 GPa, obtained using the inclined-mirror method and the velocity interferometer system for any reflector combined with powder gun and two-stage light-gas gun.

74 ATOMIC AND MOLECULAR PHYSICS↗