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DOE OSTI2022

Atomic-Scale Insights into the Lateral and Vertical Epitaxial Growth in Two-Dimensional Pd 2 Se 3 –MoS 2 Heterostructures

Two-dimensional (2D) materials form heterostructures in both the lateral and vertical directions when two different materials are interfaced, but with totally different bonding mechanisms of covalent in-plane to van der Waal’s layered interactions. Understanding how the competition between lateral and vertical forces influences the epitaxial growth is important for future materials development of complex mixed layered heterostructures. In this study, we use atomic-resolution annular dark-field scanning transmission electron microscopy to study the detailed atomic arrangements at mixed 2D heterostructure interfaces composed of two semiconductors with distinctly different crystal symmetry and elemental composition, Pd 2 Se 3 :MoS 2 , in order to understand the role of different chemical bonds on the resultant epitaxy. Pd 2 Se 3 is grown off the step edge in bilayer MoS 2 , and the vertical and lateral epitaxial relationships of the Pd 2 Se 3 –MoS 2 heterostructures are investigated. We find that the similarity of geometry at the interface with one metal (Pd or Mo) atoms bonded with two chalcogens (S or Se) are the crucial factors to make the atomically stitched lateral junction of 2D heterostructures. In addition, the vertical van der Waal interactions that are normally dominant in layered materials can be overcome by in-plane forces if the interfacial atomic stitching is high in quality and low in defect density. This knowledge should help guide the approaches for improving the epitaxy in mixed 2D heterostructures and seamless stitching of in-plane 2D heterostructures with various complex monolayer structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2013

Fast, High-Precision Readout Circuit for Detector Arrays

The GEO-CAPE mission described in NASA's Earth Science and Applications Decadal Survey requires high spatial, temporal, and spectral resolution measurements to monitor and characterize the rapidly changing chemistry of the troposphere over North and South Americas. High-frame-rate focal plane arrays (FPAs) with many pixels are needed to enable such measurements. A high-throughput digital detector readout integrated circuit (ROIC) that meets the GEO-CAPE FPA needs has been developed, fabricated, and tested. The ROIC is based on an innovative charge integrating, fast, high-precision analog-to-digital circuit that is built into each pixel. The 128×128-pixel ROIC digitizes all 16,384 pixels simultaneously at frame rates up to 16 kHz to provide a completely digital output on a single integrated circuit at an unprecedented rate of 262 million pixels per second. The approach eliminates the need for off focal plane electronics, greatly reducing volume, mass, and power compared to conventional FPA implementations. A focal plane based on this ROIC will require less than 2 W of power on a 1×1-cm integrated circuit. The ROIC is fabricated of silicon using CMOS technology. It is designed to be indium bump bonded to a variety of detector materials including silicon PIN diodes, indium antimonide (InSb), indium gallium arsenide (In- GaAs), and mercury cadmium telluride (HgCdTe) detector arrays to provide coverage over a broad spectral range in the infrared, visible, and ultraviolet spectral ranges.

Rider, David M.↗

NASA NTRS1993

Transient development of perturbations in stratified shear flow

Transient development of perturbations in inviscid stratified shear flow is investigated. Use is made of closed form analytic solutions that allow concise identification of optimally growing plane-wave solutions for the case of an unbounded flow with constant shear and stratification. For the case of channel flow, variational techniques are employed to determine the optimally growing disturbances. The maximum energy growth attained over a specific time interval decreases continuously with increasing stratification, and no special significance attaches to Ri = 0.25. Indeed, transient growth can be substantial even for Ri = O(1). A general lower bound on the energy growth attained by an optimal perturbation in a stratified flow over a given time interval is the square root of the growth attained by the corresponding perturbation in unstratified flow. Enhanced perturbation persistence is found for mean-flow stratification lying in the range Ri between 0.1 and 0.3. Small but finite perturbations in mean flow with Ri less than 0.4 produce regions with locally negative total density gradient, which are expected to overturn. Although the perturbations are of wave form, buoyancy fluxes mediate transfer between perturbation kinetic and potential energy during transient development, thus implying that buoyancy flux is not a determinative diagnostic for distinguishing between waves and turbulence in stratified flows.

Farrell, Brian F.↗

NASA NTRS1980

Second moments of optical degradation due to a thin turbulent layer

The effect of thin turbulent layers, including boundary layers and shear layers, on light propagation is examined from a theoretical point of view. In particular, a mathematical model is developed to describe the interaction between the aerodynamic or, more precisely, the density fluctuations and the electromagnetic field. It is assumed that the turbulence induces a normally distributed phase aberration which is a homogeneous random function in the plane of the aperture. Hypotheses concerning the density fluctuations in the layer sufficient to guarantee such a phase aberration are exhibited. The optical degradation is described in terms of the optical transfer function (OTF) and the Strehl ratio (I/I O ) which are random. Expressions for the first and second moments of these two parameters are developed from the definitions. Asymptotic ("large" aperture) approximations to these expressions are derived and discussed. Finally, the exact and approximate results are compared for several "typical" values of the ratios of aperture diameter to scale of density fluctuations and rms phase aberration to wave length respectively.

W J Steinmetz↗

DOE OSTI2015

MO-DE-210-06: Development of a Supercompounded 3D Volumetric Ultrasound Image Guidance System for Prone Accelerated Partial Breast Irradiation (APBI)

Purpose: For early-stage breast cancer, accelerated partial breast irradiation (APBI) is a cost-effective breast-conserving treatment. Irradiation in a prone position can mitigate respiratory induced breast movement and achieve maximal sparing of heart and lung tissues. However, accurate dose delivery is challenging due to breast deformation and lumpectomy cavity shrinkage. We propose a 3D volumetric ultrasound (US) image guidance system for accurate prone APBI Methods: The designed system, set beneath the prone breast board, consists of a water container, an US scanner, and a two-layer breast immobilization cup. The outer layer of the breast cup forms the inner wall of water container while the inner layer is attached to patient breast directly to immobilization. The US transducer scans is attached to the outer-layer of breast cup at the dent of water container. Rotational US scans in a transverse plane are achieved by simultaneously rotating water container and transducer, and multiple transverse scanning forms a 3D scan. A supercompounding-technique-based volumetric US reconstruction algorithm is developed for 3D image reconstruction. The performance of the designed system is evaluated with two custom-made gelatin phantoms containing several cylindrical inserts filled in with water (11% reflection coefficient between materials). One phantom is designed for positioning evaluation while the other is for scaling assessment. Results: In the positioning evaluation phantom, the central distances between the inserts are 15, 20, 30 and 40 mm. The distances on reconstructed images differ by −0.19, −0.65, −0.11 and −1.67 mm, respectively. In the scaling evaluation phantom, inserts are 12.7, 19.05, 25.40 and 31.75 mm in diameter. Measured inserts’ sizes on images differed by 0.23, 0.19, −0.1 and 0.22 mm, respectively. Conclusion: The phantom evaluation results show that the developed 3D volumetric US system can accurately localize target position and determine target volume, and is a promising image-guidance tool for prone APBI.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1996

A New Higher-Order Composite Theory for Analysis and Design of High Speed Tilt-Rotor Blades

A higher-order theory is developed to model composite box beams with arbitrary wall thicknesses. The theory, based on a refined displacement field, represents a three-dimensional model which approximates the elasticity solution. Therefore, the cross-sectional properties are not reduced to one-dimensional beam parameters. Both inplane and out-of-plane warping are automatically included in the formulation. The model accurately captures the transverse shear stresses through the thickness of each wall while satisfying all stress-free boundary conditions. Several numerical results are presented to validate the present theory. The developed theory is then used to model the load carrying member of a tilt-rotor blade which has thick-walled sections. The composite structural analysis is coupled with an aerodynamic analysis to compute the aeroelastic stability of the blade. Finally, a multidisciplinary optimization procedure is developed to improve the aerodynamic, structural and aeroelastic performance of the tilt-rotor aircraft. The Kreisselmeier-Steinhauser function is used to formulate the multiobjective function problem and a hybrid approximate analysis is used to reduce the computational effort. The optimum results are compared with the baseline values and show significant improvements in the overall performance of the tilt-rotor blade.

McCarthy, Thomas Robert↗

NASA NTRS1994

NbN A/D Conversion of IR Focal Plane Sensor Signal at 10 K

We are implementing a 12 bit SFQ counting ADC with parallel-to-serial readout using our established 10 K NbN capability. This circuit provides a key element of the analog signal processor (ASP) used in large infrared focal plane arrays. The circuit processes the signal data stream from a Si:As BIB detector array. A 10 mega samples per second (MSPS) pixel data stream flows from the chip at a 120 megabit bit rate in a format that is compatible with other superconductive time dependent processor (TDP) circuits being developed. We will discuss our planned ASP demonstration, the circuit design, and test results.

conversion↗

NASA NTRS1988

A fiber-resin micromechanics analysis of the delamination front in a DCB specimen

A 3-D finite element model was developed to analyze the fiber-resin behavior near the delamination front in a graphite-epoxy double cantilever beam (DCB) specimen. The specimen interior was analyzed using a typical one-fiber slice, represented by a local 3-D fiber-resin model. The resin stresses were computed for the resin-rich layer at the ply interface as well as for the regions between the fibers close to the delamination front. However, the computed strain energy release rate G sub I along the delamination front varied by less than two percent, and was within about four percent of the plane-strain value. The von Mises yield criterion was used to estimate the extent of yielding near the delamination front. The yielding extended ahead of the delamination and also developed between the fibers. Although the fibers had only a negligible effect on G sub I, they caused yielding within the ply and therefore could influence delamination fracture toughness. The normal and shear stresses at the fiber-resin interface were computed near the delamination front. These results suggest that multi-axial stress criteria may be required to analyze fiber-resin interfaces.

Crews, J. H.↗

NASA NTRS2003

Orbital Space Plane (OSP) Program at Lockheed Martin

Lockheed Martin has been an active participant in NASA's Space Launch Initiative (SLI) programs over the past several years. SLI, part of NASA's Integrated Space Transportation Plan (ISTP), was restructured in November 2002 to focus the overall theme of safer, more affordable space transportation along two paths the Orbital Space Plane (OSP) and the Next Generation Launch Technology programs. The Orbital Space Plane program has the goal of providing rescue capability from the International Space Station by 2008 or earlier and transfer capability for crew (and contingency cargo) by 2012. The Next Generation Launch Technology program is combining research and development efforts from the 2d Generation Reusable Launch Vehicle (2GRLV) program with cutting-edge, advanced space transportation programs (previously designated 31d Generation) into one program aimed at enabling safe, reliable, cost-effective reusable launch systems by the middle of the next decade. Lockheed Martin is one of three prime contractors working to bring Orbital Space Plane system concepts to a system design level of maturity by December 2003. This paper and presentation will update the aerospace community on the progress of the OSP program, from an industry perspective, and provide insights into Lockheed Martin's role in enabling the vision of a safer, more affordable means of taking people to and from space.

Ford, Robert↗

DOE OSTI2016

SU-G-BRB-09: Kompeito-Shot: Development of a Novel Verification System for 3D Beam Alignment Including the Sag of Gantry Head

Purpose: High accuracy of beam axis is required for high-precision radiation therapy. It is impossible to quantitatively and directly evaluate the sagging effect of the gantry head using current methods (star-shot and Winston-Lutz tests) when the gantry head sags under the weight of MLC and X-Y jaws. We introduce a novel method “Kompeito-shot (3D star-shot)” for the verification of 3D beam alignment (3D isocentricity). This method enables direct measurement of the sagging effect. We developed the system and examined the concept of this system. Methods: The system composed of a plastic scintillator (PS), a truncated cone-shaped mirror, a plane mirror and a CCD camera. Two types of PS were compared. One consisted of a column PS (Co system), the other consisted of a column PS inserted into a barrel PS with shading film in between (Co-Ba system). The system was irradiated with a 6-MV photon beam and the scintillation light was measured using the CCD camera through the mirror system. The gantry angle was set from 270 to 300 degrees to mimic the sagging of the gantry head for evaluating the accuracy of the system. The distance between a center of PS and entrance / exit points were calculated to analyze the gantry angle. And, the calculated gantry angle and the irradiated gantry angle were compared. Results: We compared the measured image of Co system and that of Co-Ba system. Entrance and exit areas were visualized clearly. The histogram showing the difference between the calculated gantry angle and the irradiated gantry angle was fitted with a Gaussian function. Mean and standard deviation of Co-Ba system were smaller than that of Co system by one order of magnitude. Conclusion: We developed the Kompeito-shot system and evaluated the accuracy of the system. The basic concept works for the verification of 3D isocentricity.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1992

Telescience Testbed Program: A study of software for SIRTF instrument control

As a continued element in the Telescience Testbed Program (TTP), the University of Arizona Steward Observatory and the Electrical and Computer Engineering Department (ECE) jointly developed a testbed to evaluate the Operations and Science Instrument System (OASIS) software package for remote control of an instrument for the Space Infrared Telescope Facility (SIRTF). SIRTF is a cryogenically-cooled telescope with three focal plane instruments that will be the infrared element of NASA's Great Observatory series. The anticipated launch date for SIRTF is currently 2001. Because of the complexity of the SIRTF mission, it was not expected that the OASIS package would be suitable for instrument control in the flight situation, however, its possible use as a common interface during the early development and ground test phases of the project was considered. The OASIS package, developed at the University of Colorado for control of the Solar Mesosphere Explorer (SME) satellite, serves as an interface between the operator and the remote instrument which is connected via a network. OASIS provides a rudimentary windowing system as well as support for standard spacecraft communications protocols. The experiment performed all of the functions required of the MIPS simulation program. Remote control of the instrument was demonstrated but found to be inappropriate for SIRTF at this time for the following reasons: (1) programming interface is too difficult; (2) significant computer resources were required to run OASIS; (3) the communications interface is too complicated; (4) response time was slow; and (5) quicklook of image data was not possible.

Young, Erick T.↗

NASA NTRS1992

Doppler global velocimetry - The next generation?

A new measurement technique is being developed by NASA to measure off-surface flow fields. This method, Doppler global velocimetry, will allow quantification of complex three-dimensional flow fields at video camera rates. The entire flow field structure within a selected plane is measured simultaneously rather than by scanned, point-by-point measurements using conventional laser velocimetry. To assess the capability of this new technique, velocity measurements of the vortical flow field above a thin 75-degree delta wing were made in the NASA Langley Basic Aerodynamics Research Tunnel. The operation of the system is described along with the techniques developed to process the output images. The results are then compared with similar measurements obtained using a three component laser velocimeter.

Meyers, James F.↗

NASA NTRS1991

Doppler Global Velocimetry: The Next Generation?

Meyers, James F.↗

NASA NTRS2017

Thermal Analysis of the X3 Hall Thruster

Electric propulsion has generated significant interest recently as a mass efficient thrust option for deep space missions. This increased interest has drawn a renewed focus on improving the efficiency of electric propulsion thrusters, specifically Hall thrusters. Hall thrusters are a specific subset of ion engines that accelerate charged particles using a Hall current. Recent research into the 12.5 kW HERMeS (Hall Effect Rocket with Magnetic Shielding) for use on the proposed Asteroid Redirect Robotic Mission (ARRM) has shown the desire to use these devices on flight missions outside of earth orbit. This paper will focus on another Hall thruster, the X3. The X3 is a 100 kW class Hall effect thruster used for laboratory technology development. What makes the X3 unique, relative to more contemporary Hall thrusters beyond the order of magnitude increase in discharge power, is that the X3 is a 3 channel, nested Hall thruster. Common Hall thrusters typically have one annular channel where the plasma is constrained and used to charge the fuel and accelerated. The X3’s 3 channels are nested in a concentric format, with each channel fitting in a single plane. This presents very unique thermal modeling challenges with respect to quantifying the impact of plasma thermal loading and cross talk between the power dissipating components for each channel. This work will discuss the development of the X3 thermal model and the efforts to validate it with experimental data. Furthermore, some of the unique challenges that appear when trying to model high power components will be discussed. The X3 represents a challenging and interesting example of the issues affecting thermal modeling of high power electric propulsion thrusters which will become more prevalent as their use becomes more common. II

Hofer, Richard Jr.↗

DOE OSTI2019

Characterization of Oxygenaceous Species Formed by Exposure of Ag(111) to Atomic Oxygen

The uptake and chemical speciation of oxygen in and on Ag(111) surface is described herein. An Ag(111) surface was exposed to gas-phase oxygen atoms under ultrahigh vacuum compatible conditions at various surface temperatures. The O uptake was quantified using temperature-programmed desorption measurements and showed that oxygen exposures at temperatures above 500 K yielded only surface-adsorbed oxygen in a single surface reconstruction. At temperatures below 500 K, O uptake continued past O surface saturation, and a maximum in the uptake with respect to exposure temperature was observed at 450 K. A model where O atoms must diffuse out of subsurface absorption sites to free room for further O describes this observation. The chemical speciation of the oxygenaceous species formed under these conditions was achieved using X-ray photoelectron spectroscopy. These data show that a single O species initially formed on the surface, but at higher coverages, a new, three-dimensional oxygenaceous phase developed. Because of the importance of silver in heterogeneously catalyzed partial oxidation reactions, these results show that oxygen species embedded below the surface plane must be incorporated into accurate models of Ag-surface catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Two-dimensional plasma density evolution local to the inversion layer during sawtooth crash events using Beam Emission Spectroscopy

Here, we present methods for analyzing Beam Emission Spectroscopy (BES) data to obtain the plasma density evolution associated with rapid sawtooth crash events at the DIII-D tokamak. BES allows coverage over a 2D spatial plane, inherently local measurements, with fast time responses, and, therefore, provides a valuable new channel for data during sawtooth events. A method is developed to remove sawtooth-induced edge-light pulses contained in the BES data. The edge light pulses appear to be from the D α emission produced by edge recycling during sawtooth events, and are large enough that traditional spectroscopic filtering and data analysis techniques are insufficient to deduce physically meaningful quantities. A cross-calibration of 64 BES channels is performed by using a novel method to ensure accurate measurements. For the large-amplitude density oscillations observed, we discuss and use the non-linear relationship between the BES signal δI/ I 0 and the plasma density variation δn e / n e0 . The 2D BES images cover an 8 × 20 cm 2 region around the sawtooth inversion layer and show large-amplitude density oscillations, with additional significant spatial variations across the inversion layer that grows and peaks near the time of the temperature crash. The edge light removal technique and method of converting large-amplitude δI/ I 0 to δn e / n e0 presented here may help analyze other impulsive MHD phenomena in tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

A new generation of effective core potentials: Selected lanthanides and heavy elements

Here, we construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and ƒ-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt, Gd, and Tb. As is customary, ccECPs consist of spin orbit averaged relativistic effective potential (AREP) and effective spin-orbit (SO) terms. For the AREP part, our constructions are carried out within a relativistic coupled-cluster framework while also taking into account objective function one-particle characteristics for improved convergence in optimizations. The transferability is adjusted using binding curves of hydride and oxide molecules. We address the difficulties encountered with ƒ-elements, such as the presence of large cores and multiple near-degeneracies of excited levels. For these elements, we construct ccECPs with core valence partitioning that includes 4ƒ-subshell in the valence space. The developed ccECPs achieve an excellent balance between accuracy, size of the valence space, and transferability and are also suitable to be used in plane wave codes with reasonable energy cutoffs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Pressure evolution equation for the particulate phase in inhomogeneous compressible disperse multiphase flows

An analytical expression describing the unsteady pressure evolution of the dispersed phase driven by variations in the carrier phase is presented. In this article, the term “dispersed phase” represents rigid particles, droplets, or bubbles. Letting both the dispersed and continuous phases be inhomogeneous, unsteady, and compressible, the developed pressure equation describes the particle response and its eventual equilibration with that of the carrier fluid. The study involves impingement of a plane traveling wave of a given frequency and subsequent volume-averaged particle pressure calculation due to a single wave. The ambient or continuous fluid's pressure and density-weighted normal velocity are identified as the source terms governing the particle pressure. Analogous to the generalized Faxén theorem, which is applicable to the particle equation of motion, the pressure expression is also written in terms of the surface average of time-varying incoming flow properties. The surface average allows the current formulation to be generalized for any complex incident flow, including situations where the particle size is comparable to that of the incoming flow. Further, the particle pressure is also found to depend on the dispersed-to-continuous fluid density ratio and speed of sound ratio in addition to dynamic viscosities of both fluids. The model is applied to predict the unsteady pressure variation inside an aluminum particle subjected to normal shock waves. The results are compared against numerical simulations and found to be in good agreement. Furthermore, it is shown that, although the analysis is conducted in the limit of negligible flow Reynolds and Mach numbers, it can be used to compute the density and volume of the dispersed phase to reasonable accuracy. Finally, analogous to the pressure evolution expression, an equation describing the time-dependent particle radius is deduced and is shown to reduce to the Rayleigh-Plesset equation in the linear limit.

42 ENGINEERING↗