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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na 3 OBr and Na 4 OI 2 : An in Situ Neutron Diffraction Study

Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-state battery. In this work, the sodium ionic transport pathways of the parent compound Na3OBr, as well as the modified layered antiperovskite Na4OI2, were studied and compared through temperature dependent neutron diffraction combined with the maximum entropy method. In the cubic Na3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions hop within and among oxygen octahedra, and Br- ions are not involved. In the tetragonal Na4OI2 antiperovskite, Na ions, which connect octahedra in the ab plane, have the lowest activation energy barrier. The transport of sodium ions along the c axis is assisted by I- ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Performance of preconditioned iterative solvers in MFiX–Trilinos for fluidized beds

MFiX, a general-purpose Fortran-based suite, simulates the complex flow in fluidized bed applications via BiCGStab and GMRES methods along with plane relaxation preconditioners. Trilinos, an object-oriented framework, contains various first- and second-generation Krylov subspace solvers and preconditioners. We developed a framework to integrate MFiX with Trilinos as MFiX does not possess advanced linear methods. The framework allows MFiX to access advanced linear solvers and preconditioners in Trilinos. The integrated solver is called MFiX–Trilinos, here after. In the present work, we study the performance of variants of GMRES and CGS methods in MFiX–Trilinos and BiCGStab and GMRES solvers in MFiX for a 3D gas–solid fluidized bed problem. Two right preconditioners employed along with various solvers in MFiX–Trilinos are Jacobi and smoothed aggregation. The flow from MFiX–Trilinos is validated against the same from MFiX for BiCGStab and GMRES methods. And, the effect of the preconditioning on the iterative solvers in MFiX–Trilinos is also analyzed. In addition, the effect of left and right smoothed aggregation preconditioning on the solvers is studied. Finally, the performance of the first- and second-generation solver stacks in MFiX–Trilinos is studied as well for two different problem sizes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Predictions of macro-scale fracture geometries from acoustic emission point cloud data in a hydraulic fracturing experiment

Observations of laboratory fracture testing by means of acoustic emission (AE) can provide a wealth of information regarding the fracturing process and the subsequent damage of the material or structure under load. A method for determining the structure of macro-scale fractures from a point cloud of AE events was developed and tested at the laboratory scale. An unconfined hydraulic fracturing experiment was performed on granite while monitoring acoustic emissions from six piezoelectric transducers on the surfaces of the specimen. The granite specimen dimensions were 30 × 30 × 25 cm 3 . The motivation of the AE analysis was to provide location information for a secondary wellbore placement which intersects the hydraulic fracture to complete a hydraulically connected binary well-hydraulic fracture system. Information gained from the 3D event source locations was used to optimize the location and orientation of secondary production well placement to intersect the induced hydraulic fracture. A direct method was developed to predict the location, orientation and shape of the hydraulic fracture from a dense cloud of AE events. The predicted fracture plane, which was assumed to be planar, was rotated in both the pitch and roll directions, while an average error of AE event distance between the assumed plane and the individual event locations was determined for each rotation iteration, resulting with a predicted fracture plane in the minimum error orientation. Post-test fracture observations were made and digitized in 3D space from coring and slabbing the granite specimen. The actual fracture observations were compared with the predicted fracture structure from AE and showed marked correlation. In conclusion, the simple method of determining macro-scale fracture location, orientation, and extents provided a useful tool for materials that exhibit large and disperse clouds of AE activity where coalesced fracture structure is not apparent.

42 ENGINEERING↗
DOE OSTI2025

A compact electromagnetic neutron nutator for precise neutron spin manipulation

A superconducting electromagnetic nutator (EMN) capable of generating a magnetic field vector along an arbitrary direction on a 2D plane has been designed. Its performance in precisely manipulating the neutron polarization vector has been tested at the HB2-D polarized development beamline at the High Flux Isotope Reactor. Unlike mechanical nutators that require physical handling or motor-driven actuation to rotate the magnetic field, the magnitude and orientation of the magnetic field produced by the EMN can be controlled electromagnetically. Further, the compact design (~15 mm depth, not including cryogenic housing) of this device ensures ease of coupling within existing superconducting neutron spin manipulation devices, such as magnetic Wollaston prisms (MWP), resonant radio frequency (RF) flippers, spherical neutron polarimetry (SNP) devices, etc.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Template Assisted Lithium Superoxide Growth for Lithium-Oxygen Batteries

Developing batteries with energy densities comparable to internal combustion technology is essential for a worldwide transition to electrified transportation. Li-O2 batteries are seen as the ‘holy grail’ of battery technologies since they have the highest theoretical energy density of all battery technologies. Current lithium-oxygen (Li-O2) batteries suffer from large charge overpotentials related to electronic resistivity of the insulating lithium peroxide (Li2O2) discharge product. One potential solution is the formation and stabilization of a lithium superoxide (LiO2) discharge intermediate that exhibits good electronic conductivity. However, LiO2 is reported to be unstable at ambient temperature despite its favorable formation energy at -1.0 eV/atom. In this paper, based on our recent work on the development of cathode materials for aprotic lithium oxygen batteries including two intermetallic compounds, LiIr3 and LiIr, that are found to form good template interfaces with LiO2, a simple goodness of fit R factor to gauge how well a template surface structure can support LiO2 growth is developed. The R factor is a quantitative measurement to calculate the geometric difference in the unit cells of specific Miller Index 2D planes of the template surface and LiO2. Using this as a guide, the R factors for LiIr3, LiIr, and La2NiO4+, are found to be good. This guide is attested by simple extension to other noble metal intermetallics with electrochemical cycling data including LiRh3, LiRh, and Li2Pd. Finally, the template concept is extended to main group elements and the R factors for LiO2 (111) and Li2Ca suggest that Li2Ca is a possible candidate for the template assisted LiO2 growth strategy.

Intermetallics↗
DOE OSTI2015

Mathematical model of massive dynamics in the neighborhood of disturbance focus

We consider a model problem for the research of Earth’s surface state caused by discharge of tectonic stress on the deep cracks in the earth’s crust. Using the numerical method of bicharacteristics, algorithm is developed and solution of the problem of non-stationary dynamics of a homogeneous isotropic elastic half-space is built under plane strain when one resets the vertical stress on crack. Diffraction of waves on the surface is studied, pictures of wave fields and stress-strain state of the medium and the surface for different moments of time are built.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Observation of runaway electrons by infrared camera in J-TEXT

When the energy of confined runaway electrons approaches several tens of MeV, the runaway electrons can emit synchrotron radiation in the range of infrared wavelength. An infrared camera working in the wavelength of 3-5 μm has been developed to study the runaway electrons in the Joint Texas Experimental Tokamak (J-TEXT). The camera is located in the equatorial plane looking tangentially into the direction of electron approach. The runaway electron beam inside the plasma has been observed at the flattop phase. With a fast acquisition of the camera, the behavior of runaway electron beam has been observed directly during the runaway current plateau following the massive gas injection triggered disruptions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Flatbands and Perfect Metal in Trilayer Moiré Graphene

We investigate the electronic structure of a twisted multilayer graphene system forming a moiré pattern. We consider small twist angles separating the graphene sheets and develop a low-energy theory to describe the coupling of Dirac Bloch states close to the K point in each individual plane. Extending beyond the bilayer case, we show that, when the ratio of the consecutive twist angles is rational, a periodicity emerges in quasimomentum space with moiré Bloch bands even when the system does not exhibit a crystalline lattice structure in real space. For a trilayer geometry, we find flatbands in the spectrum at certain rotation angles. Performing a symmetry analysis of the band model for the trilayer, we prove that the system is a perfect metal in the sense that it is gapless at all energies. Furthermore, this striking result originates from the three Dirac cones which can only gap in pairs and produce bands with an infinite connectivity. It also holds quite generally for multilayer graphene with an odd number of planes under the condition of C 2z T symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Measured Biaxial Residual Stress Maps in a Stainless Steel Weld

Here, this paper describes a sequence of residual stress measurements made to determine a two-dimensional map of biaxial residual stress in a stainless steel weld. A long stainless steel (316L) plate with an eight-pass groove weld (308L filler) was used. The biaxial stress measurements follow a recently developed approach, comprising a combination of contour method and slitting measurements, with a computation to determine the effects of out-of-plane stress on a thin slice. The measured longitudinal stress is highly tensile in the weld- and heat-affected zone, with a maximum around 450 MPa, and compressive stress toward the transverse edges around ₋250 MPa. The total transverse stress has a banded profile in the weld with highly tensile stress at the bottom of the plate (y = 0) of 400 MPa, rapidly changing to compressive stress (at y = 5 mm) of ₋200 MPa, then tensile stress at the weld root (y = 17 mm) and in the weld around 200 MPa, followed by compressive stress at the top of the weld at around ₋150 MPa. Finally, the results of the biaxial map compare well with the results of neutron diffraction measurements and output from a computational weld simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A weak subducting slab at intermediate depths below northeast Japan

Knowledge of the state of stress in subducting slabs is essential for understanding their mechanical behavior and the physical processes that generate earthquakes. Here, we develop a framework which uses a high-resolution focal mechanism catalog to determine the change in the position of the neutral plane before and after the M9 Tohoku-oki earthquake to determine that the deviatoric stress within the slab at intermediate depths must be very low (~1 MPa). We show that by combining the static stress calculated from coseismic slip distributions with the stress orientations before and after the mainshock, we can determine the full deviatoric stress tensor within the subducting slab at intermediate depths. These results preclude earthquake source mechanisms that require large background driving stresses, favoring a mechanically weak subducting slab, thus providing quantitative constraints on the physical processes that generate intermediate-depth earthquakes.

58 GEOSCIENCES↗
DOE OSTI2023

Observations of Boundary Layer Convergence Lines and Associated Updrafts in the U.S. Southern Great Plains

Abstract Boundary layer convergence lines (CLs) are highly effective at deep-convection initiation (DCI), suggesting that their associated updraft properties differ from those of more widespread turbulent updrafts in the planetary boundary layer (PBL). This study exploits observations at the Atmospheric Radiation Measurement Southern Great Plains (ARM SGP) observatory in Oklahoma from 2011 to 2016 to quantify CL properties and their relation to turbulent PBL eddies preceding CL arrival. Two independent methods for estimating CL properties are developed at two locations in the SGP region, both relying on the assumption of a 2D circulation in the CL-normal plane but using different combinations of instruments. The first (the radar method) relies mainly on scanning radar data and is applied to 61 CLs passing near a high-resolution scanning radar based in Nardin, Oklahoma, while the second (the surface method) relies mainly on surface wind data and is applied to 68 CLs crossing the SGP facility in nearby Lamont, Oklahoma. Mean daytime (1000–1900 LST) CL width (∼2 km) and convergence magnitude (∼0.003 s −1 ) are similar for both methods, and mean daytime CL depth is ∼0.75 km. The two methods disagree at night (0000–1000 and 1900–2400 LST), where the surface method estimates wider and weaker CLs than the radar method. This difference may stem from the radar beam overshooting the shallow, highly stable nocturnal PBL. The largest CL updrafts are slightly wider (∼20%) and stronger (∼40%) than the largest PBL updrafts in the pre-CL period, generating 50%–100% larger updraft mass fluxes over most of the PBL depth. Significance Statement Deep convection is commonly initiated by boundary layer convergence lines (CLs), which are associated with intense surface-based wind convergence and strong updrafts that may lift air to saturation. Although CLs form regularly, they are far less common than ordinary, short-lived turbulent thermals in the daytime boundary layer. To better understand why CLs are so effective at deep-convection initiation, we observationally quantify their morphologies and strengths and compare these properties to those of surrounding turbulent updrafts. Perhaps surprisingly, the CLs are found to exhibit only slightly larger scales and strengths as the turbulent updrafts. Although these marginal increases help to explain the preference for storms to initiate along CLs, they likely are not the whole story.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Piston geometry effects in a light-duty, swirl-supported diesel engine: Flow structure characterization

This work studied how in-cylinder flow structure is affected in a light-duty, swirl-supported diesel engine when equipped with three different piston geometries: the first two featuring a conventional re-entrant bowl, either with or without valve cut-outs on the piston surface and the third featuring a stepped-lip bowl. Particle image velocimetry experiments were conducted inside an optical engine to measure swirl vortex intensity and structure during the intake and compression strokes. A full computational model of the optical diesel engine was built using the FRESCO code, a recently developed object-oriented parallel computational fluid dynamics platform for engine simulations. The model was first validated against the measured swirl-plane velocity fields, and the simulation convergence for multiple cycles was assessed. Flow topology was studied by addressing bulk flow and turbulence quantities, including swirl structure, squish flux, plus geometric and operating parameters, such as the presence of valve cut-outs on the piston surface, compression ratio and engine speed. The results demonstrated that conventional re-entrant bowls have stronger flow separation at intake, hampering bowl swirl, but higher global swirl than for stepped-lip bowls thanks to a stronger and more axisymmetric squish mechanism and less tilted swirl. Stepped-lip bowls have larger inhomogeneities (tilt and axisymmetry) and higher turbulence levels, but also faster turbulence dissipation toward top dead center. They have weaker squish flux but larger squish inversion momentum as a result of the smaller inertia.

Perini, Federico↗
DOE OSTI2024

Degradation of performance in Z-pinch implosions due to shell and magnetic-drive asymmetries

Achieving maximum performance in a Z-pinch Magnetized Liner Inertial Fusion (MagLIF) implosion requires high levels of symmetry to reach high pressures, high areal densities, and high efficiency energy coupling between the compressed fuel and the imploding shell. In this work, we present the development of a nonlinear model to describe an asymmetric MagLIF liner undergoing magneto-Rayleigh-Taylor (MRT) instabilities in the z = 0 plane. We investigate and present results from our model that show the degradation of the pressure at stagnation under various kinds of asymmetries that can arise during MagLIF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Update on the JLEIC Electron Collider Ring Design

The design concept of electron collider ring in the Jefferson Lab Electron-Ion Collider (JLEIC) is based on a small beam size at the interaction point (IP) to boost the luminosity. With a chosen beta-star at the IP, electron beam size is determined by the equilibrium emittance obtained by the linear optics design. In this paper, we present an update on the lattice design of the electron ring considering not only preservation of low beam emittance, but also optimization of geometric arrangement. In particular, recently development of the lattice design has been focused on incorporating the vertical dogleg, which brings the electron beam to the ion beam plane for collisions, in the spin rotator design. The vertical dogleg is designed with no horizontal emittance growth, controlled vertical emittance and no first-order effect on the electron polarization. Single particle nonlinear beam dynamics study is also performed to explore the momentum acceptance and dynamic aperture in this updated design.

Lin, F.↗
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↗
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↗
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↗
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↗