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At least 145 records · Page 8

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DOE OSTI2020

Defect-Seeded Atomic Layer Deposition of Metal Oxides on the Basal Plane of 2D Layered Materials

Atomic layer deposition (ALD) on mechanically exfoliated 2D layered materials spontaneously produces network patterns of metal oxide nanoparticles in triangular and linear deposits on the basal surface. The network patterns formed under a range of ALD conditions and were independent of the orientation of the substrate in the ALD reactor. The patterns were produced on MoS 2 or HOPG when either tetrakis(dimethylamido)titanium or bis(ethylcyclopentadienyl)manganese were used as precursors, suggesting that the phenomenon is general for 2D materials. Transmission electron microscopy revealed the presence, prior to deposition, of dislocation networks along the basal plane of mechanically exfoliated 2D flakes, indicating that periodical basal plane defects related to disruptions in the van der Waals stacking of layers, such as perfect line dislocations and triangular extended stacking faults networks, introduce a surface reactivity landscape that leads to the emergence of patterned deposition.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Preliminary investigations into UHCRE thermal control materials (A0178)

An overview of the initial work that was done in the ESTEC Materials and Processes Division to evaluate the effect of space environment on the thermal blankets of the Ultra-Heavy Cosmic Ray Nuclei Experiments (UHCRE) is presented. The topics covered include: (1) a preliminary survey of the perforations of the two-thirds of the thermal blanket returned to ESTEC; (2) thermo-optical properties and thickness recessions of three samples cut from each of the third center parts of the 16 thermal blankets were measured and effects of environments (sun illumination and atomic oxygen fluences); (3) contamination was analyzed on trays, external blanket and internal aluminized Kapton foil by IR technique and scanning electron microscopy SEM/EDX examination; (4) the pattern of contamination on the Al Kapton foils was observed, sketched, and related to atomic oxygen flow; and (5) the Long Duration Exposure Facility (LDEF) yaw angle misorientation was evaluated from the contaminated areas visible on some of the trays. In addition, impacts of micrometeoroids and space debris were experimentally simulated on spare flight thermal blankets. Relations between penetration/perforation hole characteristics and projectile parameters were established.

Levadou, Francois↗

NASA NTRS2003

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

Palosz, B.↗

DOE OSTI2025

An atomic cluster expansion potential for twisted multilayer graphene

Twisted multilayer graphene, characterized by its moiré patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machine learning interatomic potentials (MLIPs) are a promising approach to model such systems. Our work develops a method to generate training and test datasets for fitting MLIPs that capture all possible misalignments but remain small-scale to facilitate efficient data generation and parameter estimation. To achieve this, we generate configurations with periodic boundary conditions suitable for density functional theory calculations, and then introduce an internal twist and shift within those supercell structures. Using this technique, supplemented with an active learning workflow, we fit an Atomic Cluster Expansion potential for simulating twisted multilayer graphene and test it for accuracy and robustness on a range of simulation tasks.

2D materials↗

NASA NTRS2005

Ferritin-Templated Quantum-Dots for Quantum Logic Gates

Quantum logic gates (QLGs) or other logic systems are based on quantum-dots (QD) with a stringent requirement of size uniformity. The QD are widely known building units for QLGs. The size control of QD is a critical issue in quantum-dot fabrication. The work presented here offers a new method to develop quantum-dots using a bio-template, called ferritin, that ensures QD production in uniform size of nano-scale proportion. The bio-template for uniform yield of QD is based on a ferritin protein that allows reconstitution of core material through the reduction and chelation processes. One of the biggest challenges for developing QLG is the requirement of ordered and uniform size of QD for arrays on a substrate with nanometer precision. The QD development by bio-template includes the electrochemical/chemical reconsitution of ferritins with different core materials, such as iron, cobalt, manganese, platinum, and nickel. The other bio-template method used in our laboratory is dendrimers, precisely defined chemical structures. With ferritin-templated QD, we fabricated the heptagonshaped patterned array via direct nano manipulation of the ferritin molecules with a tip of atomic force microscope (AFM). We also designed various nanofabrication methods of QD arrays using a wide range manipulation techniques. The precise control of the ferritin-templated QD for a patterned arrangement are offered by various methods, such as a site-specific immobilization of thiolated ferritins through local oxidation using the AFM tip, ferritin arrays induced by gold nanoparticle manipulation, thiolated ferritin positioning by shaving method, etc. In the signal measurements, the current-voltage curve is obtained by measuring the current through the ferritin, between the tip and the substrate for potential sweeping or at constant potential. The measured resistance near zero bias was 1.8 teraohm for single holoferritin and 5.7 teraohm for single apoferritin, respectively.

Choi, Sang H.↗

DOE OSTI2023

Circular dichroism in hard X-ray photoelectron diffraction observed by time-of-flight momentum microscopy

X-ray photoelectron diffraction (XPD) is a powerful technique that yields detailed structural information of solids and thin films that complements electronic structure measurements. Among the strongholds of XPD we can identify dopant sites, track structural phase transitions, and perform holographic reconstruction. High-resolution imaging of k ll -distributions (momentum microscopy) presents a new approach to core-level photoemission. It yields full-field k x -k y XPD patterns with unprecedented acquisition speed and richness in details. Here, we show that beyond the pure diffraction information, XPD patterns exhibit pronounced circular dichroism in the angular distribution (CDAD) with asymmetries up to 80%, alongside with rapid variations on a small k ll -scale (0.1 Å -1 ). Measurements with circularly-polarized hard X-rays (hν = 6 keV) for a number of core levels, including Si, Ge, Mo and W, prove that core-level CDAD is a general phenomenon that is independent of atomic number. The fine structure in CDAD is more pronounced compared to the corresponding intensity patterns. Additionally, they obey the same symmetry rules as found for atomic and molecular species, and valence bands. Further, the CD is antisymmetric with respect to the mirror planes of the crystal, whose signatures are sharp zero lines. Calculations using both the Bloch-wave approach and one-step photoemission reveal the origin of the fine structure that represents the signature of Kikuchi diffraction. To disentangle the roles of photoexcitation and diffraction, XPD has been implemented into the Munich SPRKKR package to unify the one-step model of photoemission and multiple scattering theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Role of Symmetry, Geometry, and Termination Chemistry on Misfit Dislocation Patterns at Semicoherent Heterointerfaces

Not Available

36 MATERIALS SCIENCE↗

DOE OSTI2022

Dual phase patterning during a congruent grain boundary phase transition in elemental copper

The phase behavior of grain boundaries can have a strong influence on interfacial properties. Little is known about the emergence of grain boundary phases in elemental metal systems and how they transform. Here, we observe the nanoscale patterning of a grain boundary by two alternating grain boundary phases with distinct atomic structures in elemental copper by atomic resolution imaging. The same grain boundary phases are found by computational grain boundary structure search indicating a first-order transformation. Finite temperature atomistic simulations reveal a congruent, diffusionless transition between these phases under ambient pressure. The patterning of the grain boundary at room temperature is dominated by the grain boundary phase junctions separating the phase segments. Our analysis suggests that the reduced mobility of the phase junctions at low temperatures kinetically limits the transformation, but repulsive elastic interactions between them and disconnections could additionally stabilize the pattern formation.

36 MATERIALS SCIENCE↗

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↗

NASA NTRS2003

Evaporative Cooling in a Holographic Atom Trap

We present progress on evaporative cooling of Rb-87 atoms in our Holographic Atom Trap (HAT). The HAT is formed by the interference of five intersecting YAG laser beams: atoms are loaded from a vapor-cell MOT into the bright fringes of the interference pattern through the dipole force. The interference pattern is composed of Talbot fringes along the direction of propagation of the YAG beams, prior to evaporative cooling each Talbot fringe contains 300,000 atoms at 50 micro-K and peak densities of 2 x 10(exp 14)/cu cm. Evaporative cooling is achieved through adiabatically decreasing the intensity of the YAG laser. We present data and calculations covering a range of HAT geometries and cooling procedures.

Newell, Raymond↗

NASA NTRS1991

Flow visualization of a rocket injector spray using gelled propellant simulants

A study was conducted at NASA-Lewis to compare the atomization characteristics of gelled and nongelled propellant simulants. A gelled propellant simulant composed of water, sodium hydroxide, and an acrylic acid polymer resin (as the gelling agent) was used to simulate the viscosity of an aluminum/PR-1 metallized fuel gel. Water was used as a comparison fluid to isolate the rheological effects of the water-gel and to simulate nongelled RP-1. The water-gel was injected through the central orifice of a triplet injector element and the central post of a coaxial injector element. Nitrogen gas flowed through the outer orifices of the triplet injector element and through the annulus of the coaxial injector element and atomized the gelled and nongelled liquids. Photographs of the water-gel spray patterns at different operating conditions were compared with images obtained using water and nitrogen. A laser light was used for illumination of the sprays. The results of the testing showed that the water sprays produced a finer and more uniform atomization than the water-gel sprays. Rheological analysis of the water-gel showed poor atomization caused by high viscosity of water-gel delaying the transition to turbulence.

Green, James M.↗

NASA NTRS1991

Flow visualization of a rocket injector spray using gelled propellant simulants

Green, James M.↗

DOE OSTI2026

Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data

Crystallographic structure identification is crucial for understanding material properties; however, current methodologies often depend on labor-intensive and time-consuming analyses of 2D X-ray diffraction (XRD) patterns. To address these limitations, this study employs synthetic 2D XRD patterns combined with deep learning (DL) techniques to enable automated and high-throughput classification of the seven crystal systems and 230 space groups. We introduce the novel Auto Diffraction Pipeline, designed to generate synthetic 2D XRD spot patterns from crystallographic information files under diverse conditions, including varying zone axes, atomic substitution, atomic depletion and mechanical loading. These conditions enhance the realism of synthetic data, mitigating the scarcity of experimental datasets and enabling the creation of large representative training sets. Convolutional neural networks were trained and validated on these synthetic datasets to classify crystallographic structures across multiple scenarios. Our results demonstrate that integrating synthetic 2D XRD patterns with DL facilitates rapid, accurate and automated crystallographic classification, promoting the wider adoption of data-driven approaches in materials science.

Shahnazari, Ayoub [Univ. of Rochester, NY (United ↗

NASA NTRS1986

Physics through the 1990s: Atomic, molecular and optical physics

The volume presents a program of research initiatives in atomic, molecular, and optical physics. The current state of atomic, molecular, and optical physics in the US is examined with respect to demographics, education patterns, applications, and the US economy. Recommendations are made for each field, with discussions of their histories and the relevance of the research to government agencies. The section on atomic physics includes atomic theory, structure, and dynamics; accelerator-based atomic physics; and large facilities. The section on molecular physics includes spectroscopy, scattering theory and experiment, and the dynamics of chemical reactions. The section on optical physics discusses lasers, laser spectroscopy, and quantum optics and coherence. A section elucidates interfaces between the three fields and astrophysics, condensed matter physics, surface science, plasma physics, atmospheric physics, and nuclear physics. Another section shows applications of the three fields in ultra-precise measurements, fusion, national security, materials, medicine, and other topics.

Source record↗

DOE OSTI2021

Search for topological defect dark matter with a global network of optical magnetometers

Ultralight bosons such as axion-like particles are viable candidates for dark matter. They can form stable, macroscopic field configurations in the form of topological defects that could concentrate the dark matter density into many distinct, compact spatial regions that are small compared with the Galaxy but much larger than the Earth. Here we report the results of the search for transient signals from the domain walls of axion-like particles by using the global network of optical magnetometers for exotic (GNOME) physics searches. We search the data, consisting of correlated measurements from optical atomic magnetometers located in laboratories all over the world, for patterns of signals propagating through the network consistent with domain walls. The analysis of these data from a continuous month-long operation of GNOME finds no statistically significant signals, thus placing experimental constraints on such dark matter scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Electronically reconfigurable complex oxide heterostructure freestanding membranes

In recent years, lanthanum aluminate/strontium titanate (LAO/STO) heterointerfaces have been used to create a growing family of nanoelectronic devices based on nanoscale control of LAO/STO metal-to-insulator transition. The properties of these devices are wide-ranging, but they are restricted by nature of the underlying thick STO substrate. Here, single-crystal freestanding membranes based on LAO/STO heterostructures were fabricated, which can be directly integrated with other materials via van der Waals stacking. The key properties of LAO/STO are preserved when LAO/STO membranes are formed. Conductive atomic force microscope lithography is shown to successfully create reversible patterns of nanoscale conducting regions, which survive to millikelvin temperatures. The ability to form reconfigurable conducting nanostructures on LAO/STO membranes opens opportunities to integrate a variety of nanoelectronics with silicon-based architectures and flexible, magnetic, or superconducting materials.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Control of second-harmonic generation in all-dielectric intersubband metasurfaces by controlling the polarity of χ (2)

All-dielectric metasurfaces have recently led to a paradigm shift in nonlinear optics as they allow for circumventing the phase matching constraints of bulk crystals and offer high nonlinear conversion efficiencies when normalized by the light-matter interaction volume. Unlike bulk crystals, in all-dielectric metasurfaces nonlinear conversion efficiencies primarily rely on the material nonlinearity, field enhancements, and the modal overlaps, therefore most efforts to date have only focused on utilizing these degrees of freedom. In this work, we demonstrate that for second-harmonic generation in all-dielectric metasurfaces, an additional degree of freedom is the control of the polarity of the nonlinear susceptibility. We demonstrate that semiconductor heterostructures that support resonant nonlinearities based on quantum-engineered intersubband transitions provide this new degree of freedom. We can flip and control the polarity of the nonlinear susceptibility of the dielectric medium along the growth direction and couple it to the Mie-type photonic modes. Here we demonstrate that engineering the χ (2) polarity in the meta-atom enables the control of the second-harmonic radiation pattern and conversion efficiency. Our results therefore open a new direction for engineering and optimizing second-harmonic generation using all-dielectric intersubband nonlinear metasurfaces.

42 ENGINEERING↗

DOE OSTI2023

Ultra-high Q alumina optical microresonators in the UV and blue bands

UV and visible photonics enable applications ranging from spectroscopic sensing to communication and quantum information processing. Photonics structures in these wavelength regimes, however, tend to experience higher loss than their IR counterpart. Particularly in the near-UV band, on-chip optical microresonators have not yet achieved a quality factor beyond 1 million. Here, we report ultra-low-loss photonic waveguides and resonators patterned from alumina thin films prepared by a highly scalable atomic layer deposition process. We demonstrate ultra high Q factor of 1.5×10 6 at 390 nm, a record value at UV bands, and 1.9×10 6 at 488.5 nm.

He, Chengxing (ORCID:0000000347166078)↗