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At least 667 records · Page 37

Novel SOLPS-ITER simulations of X-point target and snowflake divertors

Abstract The design and understanding of alternative divertor configurations may be crucial for achieving acceptable steady-state heat and particle material loads for magnetic confinement fusion reactors. Multiple X-point alternative divertor geometries such as snowflakes and X-point targets have great potential in reducing power loads, but have not yet been simulated widely in codes with kinetic neutrals. This paper discusses recent changes made to the SOLPS-ITER code to allow for the simulation of X-point target and low-field side snowflake divertor geometries. Snowflake simulations using this method are presented, in addition to the first SOLPS-ITER simulation of the X-point target. Analysis of these results show reasonable consistency with the simple modelling and theoretical predictions, supporting the validity of the methodology implemented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

LEC System Development

The Lajet Energy Company (LEC) 460 is described. A parabolic dish which incorporates a microprocessor to automatically point it toward the Sun from sunrise to sunset is used. The dish is composed of a set of mirrors (made of reflective polymeric film) which focus and concentrate the Sun's energy on a receiver, producing intense but controlled amounts of heat. The LEC 460 employs a design concept that permits the use of common and low cost materials. All major structural components are fabricated from low carbon, low alloy steel using methods adaptable to mass production. The mirrors are supported on a steel tubing frame. This frame is attached near its center of gravity to a cantilevered support structure. The mirrors and frame are counterbalanced by the weight of the receiver, thus reducing the energy needed to move the collector (parasitic load) and allowing movement on two axes. Each LEC 460 solar concentrator contains a reflective array consisting of twenty four 60 inch diameter mirrors.

Halbert, D. D.↗

Aerothermodynamics of Pyrolizing Surfaces in Hypersonic Rarefied Flows

Direct simulation Monte Carlo (DSMC) calculations of rarefied flows about entry bodies typically employ a fixed surface temperature or a radiative-equilibrium energy balance to compute that temperature. Such boundary conditions neglect any effects of heat capacitance and heat conduction in the spacecraft heat shield and, therefore, provide an upper bound for the surface temperature. Such calculations also neglect pyrolysis from the heat shield which can be significant for a high-energy incident flow at very low densities. Accurate prediction of both heating and aerodynamic forces requires including pyrolysis and surface heat transfer in the models for gas-surface interaction employed in DSMC methods. Although these physical models have long appeared in various continuum flow calculation codes, they have only recently appeared in DSMC codes which are required to simulate rarefied flows during entry at high altitudes. In the current implementation, routines from the widely distributed Charring Material Thermal Response and Ablation (CMA) program are coupled into a DSMC code to calculate the one-dimensional heat transfer into the carbon phenolic heat shield at each point on a vehicle surface. Temperature-dependent material properties, surface re-radiation, and in-depth pyrolysis were included in the calculation, but surface ablation was neglected. Sample calculations for entry of the Galileo probe into the atmosphere of Jupiter demonstrate that including pyrolysis in the model leads to significant differences in predicted aerodynamics. Granted, the drag coefficient does not depend strongly on the surface temperature which can itself be significantly below the radiative equilibrium value during entry. However, the surface mass flux due to pyrolysis of the material is significant once the probe drops to altitudes characterized by transition flow. This leads to a noticeable increase in drag and a decrease in heating compared to a body without pyrolysis.

Haas, Brian L.↗

NASA Tech Briefs, June 2011

Topics covered include: Wind and Temperature Spectrometry of the Upper Atmosphere in Low-Earth Orbit; Health Monitor for Multitasking, Safety-Critical, Real-Time Software; Stereo Imaging Miniature Endoscope; Early Oscillation Detection Technique for Hybrid DC/DC Converters; Parallel Wavefront Analysis for a 4D Interferometer; Schottky Heterodyne Receivers With Full Waveguide Bandwidth; Carbon Nanofiber-Based, High-Frequency, High-Q, Miniaturized Mechanical Resonators; Ultracapacitor-Based Uninterrupted Power Supply System; Coaxial Cables for Martian Extreme Temperature Environments; Using Spare Logic Resources To Create Dynamic Test Points; Autonomous Coordination of Science Observations Using Multiple Spacecraft; Autonomous Phase Retrieval Calibration; EOS MLS Level 1B Data Processing Software, Version 3; Cassini Tour Atlas Automated Generation; Software Development Standard Processes (SDSP); Graphite Composite Panel Polishing Fixture; Material Gradients in Oxygen System Components Improve Safety; Ridge Waveguide Structures in Magnesium-Doped Lithium Niobate; Modifying Matrix Materials to Increase Wetting and Adhesion; Lightweight Magnetic Cooler With a Reversible Circulator; The Invasive Species Forecasting System; Method for Cleanly and Precisely Breaking Off a Rock Core Using a Radial Compressive Force; Praying Mantis Bending Core Breakoff and Retention Mechanism; Scoring Dawg Core Breakoff and Retention Mechanism; Rolling-Tooth Core Breakoff and Retention Mechanism; Vibration Isolation and Stabilization System for Spacecraft Exercise Treadmill Devices; Microgravity-Enhanced Stem Cell Selection; Diagnosis and Treatment of Neurological Disorders by Millimeter-Wave Stimulation; Passive Vaporizing Heat Sink; Remote Sensing and Quantization of Analog Sensors; Phase Retrieval for Radio Telescope and Antenna Control; Helium-Cooled Black Shroud for Subscale Cryogenic Testing; Receive Mode Analysis and Design of Microstrip Reflectarrays; and Chance-Constrained Guidance With Non-Convex Constraints.

Source record↗

Modified Displacement Transfer Functions for Deformed Shape Predictions of Slender Curved Structures with Varying Curvatives

To eliminate the need to use finite-element modeling for structure shape predictions, a new method was invented. This method is to use the Displacement Transfer Functions to transform the measured surface strains into deflections for mapping out overall structural deformed shapes. The Displacement Transfer Functions are expressed in terms of rectilinearly distributed surface strains, and contain no material properties. This report is to apply the patented method to the shape predictions of non-symmetrically loaded slender curved structures with different curvatures up to a full circle. Because the measured surface strains are not available, finite-element analysis had to be used to analytically generate the surface strains. Previously formulated straight-beam Displacement Transfer Functions were modified by introducing the curvature-effect correction terms. Through single-point or dual-point collocations with finite-elementgenerated deflection curves, functional forms of the curvature-effect correction terms were empirically established. The resulting modified Displacement Transfer Functions can then provide quite accurate shape predictions. Also, the uniform straight-beam Displacement Transfer Function was applied to the shape predictions of a section-cut of a generic capsule (GC) outer curved sandwich wall. The resulting GC shape predictions are quite accurate in partial regions where the radius of curvature does not change sharply.

displacement transfer functions↗

Evaluating 239 Pu(n,f) cross sections via machine learning using experimental data, covariances, and measurement features

In this paper, the neutron-induced 239 Pu fission cross section, 239 Pu(n,f), is evaluated from 1–20 MeV using experimental data and associated covariances while also considering information on the measurement, termed features here. For instance, methods to determine the background, sample backing material, or impurities in the sample, are explicitly taken into account in the evaluation process. To this end, outliers in the experimental data are identified with a modified version of the Hybrid Robust Support Vector Machine. In a second step, two machine learning methods (logistic regression with elastic net regularization and random forest regression with SHAP feature importance metric) are used to highlight measurement features that are common among many of the outlying data points. Based on this analysis, penalty uncertainties are added to the experimental covariances of outlying data points that have outlier measurement features and are put through the generalized-least-squares evaluation. The resulting evaluated mean values and covariances differ distinctly from those data evaluated without the penalty uncertainties. These results highlight that certain measurement features should be more closely examined.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Experimental determination of material damping using vibration analyzer

Structural damping is an important dynamic characteristic of engineering materials that helps to damp vibrations by reducing their amplitudes. In this investigation, an experimental method is illustrated to determine the damping characteristics of engineering materials using a dual channel Fast Fourier Transform (FFT) analyzer. A portable Compaq III computer which houses the analyzer, is used to collect the dynamic responses of three metal rods. Time-domain information is analyzed to obtain the logarithmic decrement of their damping. The damping coefficients are then compared to determine the variation of damping from material to material. The variations of damping from one point to another of the same material, due to a fixed point excitation, and the variable damping at a fixed point due to excitation at different points, are also demonstrated.

Chowdhury, Mostafiz R.↗

Evaluation of the Edge Crack Torsion (ECT) Test for Mode 3 Interlaminar Fracture Toughness of Laminated Composites

An analytical and experimental investigation was carried out on G40-800/R6376 graphite epoxy laminates to evaluate the Edge Crack Torsion (ECT) test as a candidate for a standard Mode 3 interlaminar fracture toughness test for laminated composites. The ECT test consists of a (90/(+/- 45)(sub 3)/(+/- 45)(sub 3)/90))(sub s) laminate with a delamination introduced by a non-adhesive film at the mid-plane along one edge and loaded in a special fixture to create torsion along the length of the laminate. Dye penetrate enhanced X-radiograph of failed specimens revealed that the delamination initiated at the middle of the specimen length and propagated in a self similar manner along the laminate mid-plane. A three-dimensional finite element analysis was performed that indicated that a pure Mode 3 delamination exists at the middle of specimen length away from both ends. At the ends near the loading point a small Mode 2 component exists. However, the magnitude of this Mode 2 strain energy release rate at the loading point is small compared to the magnitude of Mode 3 component in the mid-section of the specimen. Hence, the ECT test yielded the desired Mode 3 delamination. The Mode 3 fracture toughness was obtained from a compliance calibration method and was in good agreement with the finite element results. Mode 2 End-Notched Flexure (ENF) tests and Mode 1 Double Cantilever Beam (DCB) tests were also performed for the same composite material. The Mode 1 fracture toughness was much smaller than both the Mode 2 and Mode 3 fracture toughness. The Mode 2 fracture toughness was found to be 75% of the Mode 3 fracture toughness.

Li, Jian↗

Pulse-Echo Ultrasonic Imaging Method for Eliminating Sample Thickness Variation Effects

A pulse-echo, immersion method for ultrasonic evaluation of a material which accounts for and eliminates nonlevelness in the equipment set-up and sample thickness variation effects employs a single transducer and automatic scanning and digital imaging to obtain an image of a property of the material, such as pore fraction. The nonlevelness and thickness variation effects are accounted for by pre-scan adjustments of the time window to insure that the echoes received at each scan point are gated in the center of the window. This information is input into the scan file so that, during the automatic scanning for the material evaluation, each received echo is centered in its time window. A cross-correlation function calculates the velocity at each scan point, which is then proportionalized to a color or grey scale and displayed on a video screen.

Roth, Don J.↗

Direct observation of polarization-induced two-dimensional electron/hole gases at ferroelectric-insulator interface

Abstract Two-dimensional electron gas or hole gas (2DEG or 2DHG) and their functionalities at artificial heterostructure interfaces have attracted extensive attention in recent years. Many theoretical calculations and recent experimental studies have shown the formation of alternating 2DEG and 2DHG at ferroelectric/insulator interfaces, such as BiFeO 3 /TbScO 3 , depending on the different polarization states. However, a direct observation based on the local charge distribution at the BiFeO 3 /TbScO 3 interface has yet to be explored. Herein we demonstrate the direct observation of 2DHG and 2DEG at BiFeO 3 /TbScO 3 interface using four-dimensional scanning transmission electron microscopy and Bader charge analysis. The results show that the measured charge state of each Fe/O columns at the interface undergoes a significant increase/reduction for the polarization state pointing away/toward the interface, indicating the existence of 2DHG/2DEG. This method opens up a path of directly observing charge at atomic scale and provides new insights into the design of future electronic nanodevices.

36 MATERIALS SCIENCE↗

Surface smoothing for laser powder-bed Ti-6Al-4V by a transient liquid phase

Surface roughness is the primary driver of fatigue for additively manufactured metals. To address surface roughness, this work introduces a new method to smooth features beyond line-of-sight without material removal. The method applies a coating that triggers local surface remelting by activating a eutectic reaction during heat treatment. The associated liquid phase then wets and isothermally solidifies into a smoother surface. For Ti-6Al-4V fabricated with laser powder bed fusion, samples with and without TLP smoothing (using a Cu coating) were characterized with a suite of techniques, including mechanical testing, electron backscatter diffraction, synchrotron X-ray tomography, and fractography. TLP smoothing reduced surface roughness by 80% and amplified compressive residual stress at the surface by about 50%. With statistically equivalent virtual microstructures, crystal plasticity scrutinized the roles of phases, porosity, and surface roughness. Although the tensile strain-to-failure was reduced to 1% strain, the TLP smoothing process increased high-cycle fatigue strength by about 20% compared to control samples, pointing to future opportunities to optimize the new process through various coating compositions and heat treatment schedules. Overall, this work establishes a new paradigm for treating surfaces of materials for smoothness and compressive residual stress.

Additive manufacturing↗

Unified analysis of finite-size error for periodic Hartree-Fock and second order Møller-Plesset perturbation theory

Despite decades of practice, finite-size errors in many widely used electronic structure theories for periodic systems remain poorly understood. For periodic systems using a general Monkhorst-Pack grid, there has been no comprehensive and rigorous analysis of the finite-size error in the Hartree-Fock theory (HF) and the second order Møller-Plesset perturbation theory (MP2), which are the simplest wavefunction based method, and the simplest post-Hartree-Fock method, respectively. Such calculations can be viewed as a multi-dimensional integral discretized with certain trapezoidal rules. Due to the Coulomb singularity, the integrand has many points of discontinuity in general, and standard error analysis based on the Euler-Maclaurin formula gives overly pessimistic results. The lack of analytic understanding of finite-size errors also impedes the development of effective finite-size correction schemes. We propose a unified analysis to obtain sharp convergence rates of finite-size errors for the periodic HF and MP2 theories. Our main technical advancement is a generalization of the result of Lyness [Math. Comp. 30 (1976), pp. 1–23] for obtaining sharp convergence rates of the trapezoidal rule for a class of non-smooth integrands. Our result is applicable to three-dimensional bulk systems as well as low dimensional systems (such as nanowires and 2D materials). Our unified analysis also allows us to prove the effectiveness of the Madelung-constant correction to the Fock exchange energy, and the effectiveness of a recently proposed staggered mesh method for periodic MP2 calculations (see X. Xing, X. Li, and L. Lin [J. Chem. Theory Comput. 17 (2021), pp. 4733–4745]). In conclusion, our analysis connects the effectiveness of the staggered mesh method with integrands with removable singularities, and suggests a new staggered mesh method for reducing finite-size errors of periodic HF calculations.

97 MATHEMATICS AND COMPUTING↗

Development of Ternary Transition Metal Oxide Catalysts for Oxygen Evolution Reaction

Electrochemical water splitting, a promising method for green hydrogen production, is currently hindered by the high cost of precious-group metal (PGM)-based catalysts for the oxygen evolution reaction (OER). This study addresses this challenge by advancing the development of catalysts for OER, focusing on the development of high-performance PGM-free catalysts using nickel-iron-cobalt (NiFeCo)-based aerogels. The catalysts were synthesized via a sol-gel method and critical point drying to achieve a highly porous structure with an exceptionally high surface area. The designed catalyst structure provides an ideal platform for maximizing catalytic active sites and enhancing mass transport kinetics. Co has been systematically incorporated into the current PGM-free state-of-the-art, NiFeOx catalyst, and the metal ratios have been optimized. In addition to the experimental studies, density functional theory calculations were performed to study the material’s properties of this ternary catalyst and the effect of Co addition on enhancing OER catalysis.

Mizrahi, Michal [Bar-Ilan University, Ramat Gan, I↗

Defect Detection Model Development for Large Scale Thermoplastic Printing

Large-format additive manufacturing (LFAM) offers several advantages, including high throughput, cost-effective pellet-fed extrusion, and the capability to produce large-scale structures. The main pain points of LFAM include start and stops during the printing process, warpage, long layer times that lead to bead freezing, and bead separation due to shrinkage. These issues can lead to overfill, underfill and buildup of material in different sections of a print. This can lead to hidden defects embedded within the printed layers, or even ultimate failure of the printed structure. This ensures these defects can only be identified through nondestructive testing (NDT) inspection methods after printing, which can be timely and costly. Aligned Vision work specializes in 2D projectors with visual inspection systems and machine learning. Traditionally system is used for composite layup and layup inspections. In this work we used the LFAM system at Oak Ridge National Laboratory to create defect rich samples. The Aligned Vision inspection system then performed in-situ monitoring of the print process after each part was printed. This in-situ vision inspection system was used to develop a layer-by-layer inspection model that looks for overfill, underfill, and the buildup of defects using only a camera-based vision system. This leads to the assurance of high-quality production components.

36 MATERIALS SCIENCE↗

Pulse-echo ultrasonic imaging method for eliminating sample thickness variation effects

A pulse-echo, immersion method for ultrasonic evaluation of a material is discussed. It accounts for and eliminates nonlevelness in the equipment set-up and sample thickness variation effects employs a single transducer, automatic scanning and digital imaging to obtain an image of a property of the material, such as pore fraction. The nonlevelness and thickness variation effects are accounted for by pre-scan adjusments of the time window to insure that the echoes received at each scan point are gated in the center of the window. This information is input into the scan file so that, during the automatic scanning for the material evaluation, each received echo is centered in its time window. A cross-correlation function calculates the velocity at each scan point, which is then proportionalized to a color or grey scale and displayed on a video screen.

Roth, Don J.↗

Preparation of low-sulfur platinum and platinum aluminide layers in thermal barrier coatings

A method for preparing a coated nickel-base superalloy article reduces the sulfur content of the surface region of the metallic coating layers to low levels, thereby improving the adhesion of the coating layers to the article. The method includes depositing a first layer of platinum overlying the surface of a substrate, depositing a second layer of aluminum over the platinum, and final desulfurizing the article by heating the article to elevated temperature, preferably in hydrogen, and removing a small amount of material from the surface that was exposed during the step of heating. A ceramic layer may be deposited over the desulfurized article. The article may also be similarly desulfurized at other points in the fabrication procedure.

Spitsberg, Irene T.↗

Multiphonon diffuse scattering in solids from first principles: Application to layered crystals and two-dimensional materials

Time-resolved diffuse scattering experiments have gained increasing attention due to their potential to reveal nonequilibrium dynamics of crystal lattice vibrations with full momentum resolution. Although progress has been made in interpreting experimental data on the basis of one-phonon scattering, understanding the role of individual phonons can be sometimes hindered by multiphonon excitations. In Ref. [M. Zacharias, H. Seiler, F. Caruso, D. Zahn, F. Giustino, P. C. Kelires, and R. Ernstorfer, Phys. Rev. Lett. 127, 207401 (2021)], we have introduced a rigorous approach for the calculation of the all-phonon inelastic scattering intensity of solids from first-principles. In the present work, we describe our implementation in detail and show that multiphonon interactions are captured efficiently by exploiting translational and time-reversal symmetries of the crystal. We demonstrate its predictive power by calculating the scattering patterns of monolayer molybdenum disulfide (MoS 2 ), bulk MoS 2 , and black phosphorus (bP), and we obtain excellent agreement with our measurements of thermal electron diffuse scattering. Remarkably, our results show that multiphonon excitations dominate in bP across multiple Brillouin zones, while in MoS 2 they play a less pronounced role. We expand our analysis for each system and examine the effect of individual atomic and interatomic vibrational motion on the diffuse scattering signals. We further demonstrate the high-throughput capability of our approach by reporting all-phonon scattering maps of two-dimensional MoSe 2 , WSe 2 , WS 2 , graphene, and CdI 2 , rationalizing in each case the effect of multiphonon processes. As a side point, we show that the special displacement method reproduces the thermally distorted configuration that generates precisely the all-phonon diffuse pattern. In conclusion, the present methodology opens the way for systematic calculations of the scattering intensity in crystals and the accurate interpretation of static and time-resolved inelastic scattering experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗