Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Atomic techniques”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

High-sensitivity multi-channel atomic magnetometer

High-sensitivity multi-channel atomic magnetometers are described. Methods for operating multi-channel atomic magnetometers are also described. Moreover, devices incorporating a plurality of multi-channel atomic magnetometers are described. A multi-channel atomic magnetometer may use the spin-exchange relaxation-free (SERF) technique. A multi-channel atomic magnetometer may achieve multi-channel operation in a single module, reducing the cost of sensors. A multi-channel atomic magnetometer may be a 16-channel atomic magnetometer. A multi-channel atomic magnetometer may include a single large vapor cell including alkali-metal atoms and at least one buffer gas that restricts motion of atomic spins of the alkali-metal atoms, thereby making relatively small internal cell volumes act as a multiple independent local sensing channels. A multi-channel atomic magnetometer may include a broad pump beam that simultaneously polarizes all (or substantially all) of the alkali-metal atoms in each internal sensing volume of the vapor cell, and a broad probe beam that simultaneously measures magnetic fields at multiple sensing volumes with a photodiode array.

Kim, Young Jin↗
DOE OSTI2020

High‐Performance Zinc Tin Oxide TFTs with Active Layers Deposited by Atomic Layer Deposition

Abstract New deposition techniques for amorphous oxide semiconductors compatible with silicon back end of line manufacturing are needed for 3D monolithic integration of thin‐film electronics. Here, three atomic layer deposition (ALD) processes are compared for the fabrication of amorphous zinc tin oxide (ZTO) channels in bottom‐gate, top‐contact n‐channel transistors. As‐deposited ZTO films, made by ALD at 150–200 °C, exhibit semiconducting, enhancement‐mode behavior with electron mobility as high as 13 cm 2 V −1 s −1 , due to a low density of oxygen‐related defects. ZTO deposited at 200 °C using a hybrid thermal‐plasma ALD process with an optimal tin composition of 21%, post‐annealed at 400 °C, shows excellent performance with a record high mobility of 22.1 cm 2 V –1 s –1 and a subthreshold slope of 0.29 V dec –1 . Increasing the deposition temperature and performing post‐deposition anneals at 300–500 °C lead to an increased density of the X‐ray amorphous ZTO film, improving its electrical properties. By optimizing the ZTO active layer thickness and using a high‐ k gate insulator (ALD Al 2 O 3 ), the transistor switching voltage is lowered, enabling electrical compatibility with silicon integrated circuits. This work opens the possibility of monolithic integration of ALD ZTO‐based thin‐film electronics with silicon integrated circuits or onto large‐area flexible substrates.

Allemang, Christopher R.↗
DOE OSTI2021

In situ and operando force-based atomic force microscopy for probing local functionality in energy storage materials

Electrochemical energy storage is the key enabling component of electric vehicles and solar-/wind-based energy technologies. The enhancement of energy stored requires the detailed understanding of charge storage mechanisms and local electrochemical and electromechanical phenomena over a variety of length scales from atoms to full cells. Classical electrochemical techniques, such as voltammetry, represent the macroscopic electrochemical properties, and consequently do not allow to extract important information about local electrochemical reactions, ions adsorption, intercalations, and transport. Understanding, controlling, and tuning the local electrochemical functionalities in functional energy materials require in situ/operando techniques which limit the use of structural and functional characterization techniques that provide local information. Here, force-based atomic force microscopies (AFMs) have provided novel insights into locally probing electrochemical mechanisms on tens of nanometer and even molecular length scales and provide a viable pathway to probe electrochemical processes in situ/operando. In this review, we highlight the contributions in the development and application of force-based AFM methods to elucidate the local charge storage mechanism in a variety of energy-related materials. We will focus in particular on methods or AFM modalities in a liquid electrolyte environment.

25 ENERGY STORAGE↗
DOE OSTI2021

Assessment of the Second-Ionization Potential of Lawrencium: Investigating the End of the Actinide Series with a One-Atom-at-a-Time Gas-Phase Ion Chemistry Technique

Experiments were performed at the Lawrence Berkeley National Laboratory 88-Inch Cyclotron facility to investigate the electron-transfer reduction reaction of dipositive Lr ( Z = 103) with O 2 gas. Ions of 255 Lr were produced in the fusion-evaporation reaction 209 Bi( 48 Ca,2n) 255 Lr and were studied with a novel gas-phase ion chemistry technique. The produced 255 Lr 2+ ions were trapped and O 2 gas was introduced, such that the charge-exchange reaction to reduce 255 Lr 2+ to 255 Lr 1+ was observed and the reaction rate constant was determined to be k = 1.5(7) × 10 -10 cm 3 /mol/s. The observation that this reaction proceeds establishes the lower limit on the second ionization potential of Lr to be 13.3(3) eV. This gives further support that the actinide series terminates with Lr. Additionally, this result can be used to better interpret the situation concerning the placement of Lu and Lr on the periodic table within the current framework of the actinide hypothesis. The success of this experimental approach now identifies unique opportunities for future gas-phase reaction studies on actinide and super heavy elements.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural tunability and origin of two-level systems in amorphous silicon

Amorphous silicon films prepared by electron-beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si when films of thickness greater than ~300 nm are grown at 425 °C and at <1 Å/s. Here, a combination of spectroscopic techniques provide insight into atomic disorder, local strains, dangling bonds, and nanovoids. Electron diffraction shows that the short-range order of the amorphous silicon is similar at all growth temperatures, but fluctuation electron microscopy shows that films grown above room temperature show a form of medium-range order not previously observed in amorphous silicon. Atomic disorder and local strain obtained from Raman spectroscopy are reduced with increasing growth temperature and show a nonmonotonic dependence on thickness. Dangling bond density decreases with increasing growth temperature and is only mildly dependent on thickness. Positron annihilation Doppler broadening spectroscopy and electron energy loss spectroscopy show that nanovoids, and not density variations within the network, are responsible for reduced atomic density. Specific heat and mechanical loss measurements, which quantify the density of tunneling two-level systems, in combination with the structural data, suggest that two-level systems in amorphous silicon films are associated with nanovoids and their surroundings, which are in essence loosely bonded regions where atoms are less constrained.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction

Amorphous bulk metallic glasses with the composition Fe 48 Cr 15 Mo 14 C 15 B 6 Y 2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with our ab initio simulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Unravelling Disorder in Aperiodic Crystals – Diffuse Scattering and Atomic Resolution Holography

The atomic–scale disorder of aperiodic crystals, and quasicrystals in particular, is inherently difficult to explore by experimental methods due to their complex atomic arrangements. Two advanced characterization techniques, a revived and an emerging one, offer direct experimental access even to such complex atomic structures: Diffuse Scattering and Atomic Resolution Holography. Finally, in this overview, we introduce their specific application to aperiodic crystals and discuss their merits and difficulties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evidence of Xe-incorporation in the bubble superlattice in irradiated U-Mo fuel

For years, researchers have reported competing ideas on the formation of fission gas bubble super lattices in metallic fuels, which was postulated to be comprised of elemental xenon (Xe) atoms. However, the chemical and physical arrangement of these elements within this gas bubble superlattice has not been verified. In this contribution, Xe was chemically profiled using atomic resolution scanning transmission electron microscopy (STEM) and atom probe tomography (APT) techniques in irradiated uranium-molybdenum (U-Mo) fuels. These complementary techniques provide conclusive evidence of Xe presence in bubble superlattice up to fission densities of 4.5×10 21 fissions/cm 3 and provide quantitative assessment of Xe content within the bubble superlattice. Based on the results of simultaneous imaging and spectroscopy using STEM, the chemical composition of the Xe bubble superlattice present in fission densities less than 4.5x10 21 fissions/cm 3 in U-Mo fuel was measured and found to be up to 8±1.3 atomic %. APT data complements STEM findings on Xe distribution in irradiated U-Mo fuel sample. APT showed a chemical composition of 0.7±0.1 atomic%. Finally, this study concludes by providing conclusive evidence that Xe is not only present within an atomically arranged bubble superlattice but provides fundamental insight the physical state of Xe in low enriched U-Mo monolithic fuel.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nonstoichiometric Salt Intercalation as a Means to Stabilize Alkali Doping of 2D Materials

Although doping with alkali atoms is a powerful technique for introducing charge carriers into physical systems, the resulting charge-transfer systems are generally not air stable. Here, in this paper, we describe computationally a strategy towards increasing the stability of alkali-doped materials that employs stoichiometrically unbalanced salt crystals with excess cations (which could be deposited during, e.g., in situ gating) to achieve doping levels similar to those attained by pure alkali metal doping. The crystalline interior of the salt crystal acts as a template to stabilize the excess dopant atoms against oxidation and deintercalation, which otherwise would be highly favorable. We characterize this doping method for graphene, NbSe 2 , and Bi 2 Se 3 and its effect on direct-to-indirect band gap transitions, 2D superconductivity, and thermoelectric performance. Salt intercalation should be generally applicable to systems which can accommodate this “ionic crystal” doping (and particularly favorable when geometrical packing constraints favor nonstoichiometry).

2-dimensional systems↗
DOE OSTI2025

Facet-dependent growth and dissolution of hematite resulting from autocatalytic interactions with Fe(II) and oxalic acid

The ability to simultaneously monitor the flux of iron atoms within the solution and solid phases can provide considerable insight into mechanisms of iron oxide mineral transformations. The autocatalytic interaction between hematite and Fe(II)-oxalate has long been of interest for its environmental and industrial relevance. In this study we take advantage of iron isotopic labelling and mass-sensitive imaging at the single particle scale to determine how changes in solution composition correlate with the morphologic evolution of faceted, micrometer-sized hematite platelets. Net dissolution is confirmed through analyses of aqueous iron chemistry, as well as by quantitative atomic force microscopy. Isotopic mapping techniques show that Fe(II) readily adsorbs to (001) and (012) surfaces in the absence of oxalate, but when oxalate is present selective dissolution of the (001) surface prevails and 57Fe deposition via recrystallization is not observed. Comparison between particle microtopographies following reaction with Fe(II), oxalate, and Fe(II)-oxalate show substantially different behavior, consistent with distinct mechanisms of interaction with hematite surfaces. The extensive characterization conducted on the coupled solution/solid dynamics in this system provides new insight for distinguishing crystal growth, dissolution, and recrystallization processes.

Taylor, Sandra D. [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2025

Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations

Using all-atom molecular dynamics simulations and a variety of experimental methods, we previously reported on a linear polyethylene with pendant phenyl sulfonated groups precisely on every fifth carbon along the backbone. With increasing relative humidity this fluorine-free polymer self-assembled to form nanoscale water channels and exhibited exceptional proton conductivity. Expanding upon those findings, here we explore partially sulfonated random copolymers, referred to as p 5PhSH-Y. Using either acetyl sulfate or sulfuric acid, a wide range of sulfonation levels were prepared ( Y = 34−98%) corresponding to ion-exchange capacities (IEC) of 2.0−4.4 mmol/g. Combining experimental techniques and all-atom molecular dynamics simulations, we study the effect of Y on water uptake, nanoscale morphology, and the proton/water transport properties of p5PhSH- Y . The proton conductivity of p 5PhSH- Y increases with relative humidity and with Y and achieves values in excess of 0.1 S/cm. These high conductivities are attributed to high IEC and welldeveloped nanoscale percolated hydrophilic domains made possible by the flexible backbone. We quantitatively describe the nature of the water channels using the characteristic distance, channel width distribution, the area per sulfonate group at the hydrophilic/ hydrophobic interface, and the fractal dimension. Notably, the channel widths and the areas per sulfonate group are nominally independent of the level of sulfonation, while depending significantly on the level of hydration. The fractal dimension of the water channels correlates strongly with the water diffusion coefficients calculated from the molecular dynamics (MD) simulations. These findings demonstrate that the p 5PhSH- Y hydrocarbon copolymers can be modified to tune properties, particularly proton conductivity.

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

A Thin Alumina Film as a Tritium Adsorption Inhibitor for Stainless Steel 316

The effect of a thin alumina coating on stainless-steel 316 (SS316) samples on tritium adsorption and transport are discussed. Compact films of alumina were produced on the surfaces of pristine SS316 samples using an atomic layer deposition (ALD) technique. Subsequently, these samples were exposed for 24 hours to a deuterium-tritium gas mixture (P T =0.5 atm, 25°C). A combination of methods including selective-etching and programmed thermal desorption were employed to assess both, the depth profile of the tritium concentration in the sample and the total quantity of tritium absorbed respectively. Tritium was quantitatively determined through the measurement of beta radioactivity using liquid-scintillation counting techniques. Data suggest that SS316 with a thin film of alumina reduces the total tritium uptake by ~25% relative to uncoated samples. Significantly, such films appear to reduce, by a factor of 200, tritium diffusion into SS316 and therefore constitute an effective barrier against tritium transport. This observation is of practical importance for tritium and, generally, reactive gas handling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Toward Low-Thermal-Budget Hafnia-Based Ferroelectrics via Atomic Layer Deposition

Since the first report of ferroelectricity in fluorite structure oxides a decade ago, significant attention has been devoted to studying hafnia-based ferroelectric material systems due to their promising properties and opportunities. To achieve such ferroelectric fluorite structure oxides at low temperatures (below 400 °C), stabilizing the metastable noncentrosymmetric orthorhombic phase is crucial. This review provides a comprehensive overview of atomic layer deposition (ALD) techniques for obtaining the orthorhombic phase for low-temperature ferroelectric applications. We discuss optimization of the ALD process for synthesizing high-quality, low-temperature crystallizing ferroelectric films, including doping, precursor and oxygen source selection, deposition temperature, and interface engineering. In addition, the techniques for stabilizing the ferroelectric phase by regulating the thermal budget and stress with various annealing methods and stressors are discussed. In conclusion, the review focuses on different techniques to reduce the thermal budget required to acquire ferroelectricity, making hafnia-based ferroelectric materials compatible with back-end-of-line and three-dimensional integration for a variety of future applications, including flexible electronics applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Bottom-up fabrication of scalable room-temperature diamond quantum computing and sensing technologies

The nitrogen-vacancy (NV) centre in diamond is a premier solid-state defect for quantum information processing and metrology. An integrated diamond quantum device harnesses the collective properties of multiple NV centres, enabling room-temperature quantum computing and sensing. While large-scale devices are poised to fill an important gap in the burgeoning quantum technology landscape, their practical realisation has not been achieved using current top-down fabrication techniques such as ion implantation. Consequently, this necessitates the development of a bottom-up fabrication technique, which is scalable, deterministic, and possesses atomic-scale precision. Informed by existing methods for fabricating phosphorous defect qubits in silicon, we envision a hydrogen depassivation lithography technique for atomically-precise manufacturing of nitrogen-vacancy centres in diamond. This perspective article outlines a viable multi-step procedure for realising scalable fabrication of diamond quantum devices and identifies the key challenges in its development.

CVD↗
DOE OSTI2021

Topological superconductivity in skyrmion lattices

Atomic manipulation and interface engineering techniques have provided an intriguing approach to custom-designing topological superconductors and the ensuing Majorana zero modes, representing a paradigm for the realization of topological quantum computing and topology-based devices. Magnet-superconductor hybrid (MSH) systems have proven to be experimentally suitable to engineer topological superconductivity through the control of both the complex structure of its magnetic layer and the interface properties of the superconducting surface. Here, we demonstrate that two-dimensional MSH systems containing a magnetic skyrmion lattice provide an unprecedented ability to control the emergence of topological phases. By changing the skyrmion radius, which can be achieved experimentally through an external magnetic field, one can tune between different topological superconducting phases, allowing one to explore their unique properties and the transitions between them. In these MSH systems, Josephson scanning tunneling spectroscopy spatially visualizes one of the most crucial aspects underlying the emergence of topological superconductivity, the spatial structure of the induced spin–triplet correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Development and Application of In Situ Nanocharacterization to Photocatalytic Materials for Solar Fuel Generation

Photocatalytic materials offer an attractive approach for converting solar energy into chemical energy but the performance of the current generation of materials is insufficient to make a technology viable. To address this deficiency, it is necessary to develop a fundamental atomic level understanding of the functioning of such materials so that strategies can be developed to improve performance. This project was undertaken to explore the fundamental structure and properties of photocatalytic materials using atomic resolution imaging and spectroscopy techniques available on advanced transmission electron microscopy. Specifically, there is a need to develop an understanding of how atomic structures/defects and nanoparticle configurations regulate electronic, optical, and catalytic properties to facilitate the design of next generation photocatalysts for solar fuel production. The work focused on fundamental materials information that can be gained from advanced transmission electron microscopy study on novel and existing photocatalytic systems with an emphasis on the hydrogen evolution reaction (HER). Throughout the project, new instrumentation and microscopy characterization tools were developed. Two focus areas were: developing in situ TEM methods and advanced electron energy-loss spectroscopic for nanoscale analysis of catalysts. The work spanned a period of 12 years and for convenience, the report is divided into four phases, approximately corresponding to the four funding periods of the program. Most of the significant results are reported in archival journal publications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unveiling the Stability of Encapsulated Pt Catalysts Using Nanocrystals and Atomic Layer Deposition

Platinum exhibits desirable catalytic properties, but it is scarce and expensive. Optimizing its use in key applications such as emission control catalysis is important to reduce our reliance on such a rare element. Supported Pt nanoparticles (NPs) used in emission control systems deactivate over time because of particle growth in sintering processes. Here, in this work, we shed light on the stability against sintering of Pt NPs supported on and encapsulated in Al 2 O 3 using a combination of nanocrystal catalysts and atomic layer deposition (ALD) techniques. We find that small amounts of alumina overlayers created by ALD on preformed Pt NPs can stabilize supported Pt catalysts, significantly reducing deactivation caused by sintering, as previously observed by others. Combining theoretical and experimental insights, we correlate this behavior to the decreased propensity of oxidized Pt species to undergo Ostwald ripening phenomena because of the physical barrier imposed by the alumina overlayers. Furthermore, we find that highly stable catalysts can present an abundance of under-coordinated Pt sites after restructuring of both Pt particles and alumina overlayers at a high temperature (800 °C) in C 3 H 6 oxidation conditions. The enhanced stability significantly improves the Pt utilization efficiency after accelerated aging treatments, with encapsulated Pt catalysts reaching reaction rates more than two times greater than those of a control supported Pt catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗