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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates

We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov–de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi 2 Sr 2 CaCu 2 O 8 can only be understood by accounting for the tails of the Cu Wannier functions, which include significant weight on apical O sites in neighboring unit cells. This calculation thus puts earlier crude “filter” theories on a microscopic foundation and solves a long-standing puzzle. We then study quasiparticle interference phenomena induced by out-of-plane weak potential scatterers, and show how patterns long observed in cuprates can be understood in terms of the interference of Wannier functions above the surface. Furthermore, our results show excellent agreement with experiment and enable a better understanding of novel phenomena in the cuprates via STM imaging.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Large eddy simulation of particle dispersion analysis in a pressurized reactive fluid–particle system

Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Designing an effective burner plays a vital role in developing new combustion technologies. Because of high pressure, the volumetric fraction of particles in a pressurized oxy-combustor could be higher than that in the conventional combustor, consequently, the particle dynamics in the pressurized vessel need to be evaluated accordingly. Specifically, the present computational work analyzes the pattern of the particle dispersion by extracting the particle mass flow rate and the particle size distribution in the pressurized combustor. A large eddy simulation (LES) with the environment pressure 15-bar and 100 kWth thermal input of fuel particle has been performed. The particle mass flow rates sampled in several cross-section planes strongly fluctuate, indicating the impacts of the flame as well as the gas-phase flow on the particle movement. Animations of the particle-gas flow show that the flow recirculation plays a major role in producing the pulsing phenomenon of the particle mass flow rate.

Li, Lei↗
DOE OSTI2024

The geometry of the modular bootstrap

Abstract We explore the geometry behind the modular bootstrap and its image in the space of Taylor coefficients of the torus partition function. In the first part, we identify the geometry as an intersection of planes with the convex hull of moment curves onR + ⊗ℤ, with boundaries characterized by the total positivity of generalized Hankel matrices. We phrase the Hankel constraints as a semi-definite program, which has several advantages, such as the validity of bounds irrespective of spin truncation. We derive bounds on the gap, twist-gap, and the space of Taylor coefficients themselves. We find that if the gap is above$$ {\Delta }_{\textrm{gap}}^{\ast } $$ ∆ gap ∗ , where$$ \frac{c-1}{12}<{\Delta}_{\textrm{gap}}^{\ast }<\frac{c}{12} $$ c − 1 12 < Δ gap ∗ < c 12 , all coefficients become bounded on both sides and kinks develop in the space. In the second part, we propose an analytic method of imposing the integrality condition for the degeneracy number in the spinless bootstrap, which leads to a non-convex geometry. We find that even at very low derivative order this condition rules out regions otherwise allowed by bootstraps at high derivative order.

Physics↗
DOE OSTI2012

Fabrication and characterization of Bismuth-Cerium composite iron garnet epitaxial films for magneto optical applications

The Bi{sub x}Ce{sub 3-x}Fe{sub 5}O{sub 12} (x = 0.8) epitaxial films of high quality were grown by means of pulsed laser deposition on paramagnetic substrates of Gadolinium Gallium Garnet. We study the modifications of substitutions in the parent garnet Y{sub 3}Fe{sub 5}O{sub 12} that produces a higher magneto-optical response at communication wavelengths. These films displayed a strong in plane textures which are treated in argon as well as reduced atmosphere conditions. The elemental constituents of these films were confirmed by energy dispersive-X ray analysis, elastic recoil detection system, Rutherford backscattering spectroscopy, and X-ray photoelectron spectroscopy measurements. The transmittance spectra were measured and found these films exhibit good transmittance values. The transmittance-spectra were fitted with the theoretical model and the optical constants such as refractive index and absorption edge were evaluated. The highest (negative) Faraday rotation was found for these films treated in the environment of Ar + H{sub 2}. A density matrix theory has been developed for the Faraday rotation and a good agreement between the theory and experiment is found. These epitaxial garnet films can be used in a wide range of frequencies from visible to infrared spectra making them ideal for many magneto optical applications. Therefore, these films may overcome many issues in fabricating all optical isolators which is the viable solution for integrated photonics.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Efficient modeling of photonic crystals with local Hermite polynomials

Developing compact algorithms for accurate electrodynamic calculations with minimal computational cost is an active area of research given the increasing complexity in the design of electromagnetic composite structures such as photonic crystals, metamaterials, optical interconnects, and on-chip routing. We show that electric and magnetic (EM) fields can be calculated using scalar Hermite interpolation polynomials as the numerical basis functions without having to invoke edge-based vector finite elements to suppress spurious solutions or to satisfy boundary conditions. This approach offers several fundamental advantages as evidenced through band structure solutions for periodic systems and through waveguide analysis. Compared with reciprocal space (plane wave expansion) methods for periodic systems, advantages are shown in computational costs, the ability to capture spatial complexity in the dielectric distributions, the demonstration of numerical convergence with scaling, and variational eigenfunctions free of numerical artifacts that arise from mixed-order real space basis sets or the inherent aberrations from transforming reciprocal space solutions of finite expansions. The photonic band structure of a simple crystal is used as a benchmark comparison and the ability to capture the effects of spatially complex dielectric distributions is treated using a complex pattern with highly irregular features that would stress spatial transform limits. This general method is applicable to a broad class of physical systems, e.g., to semiconducting lasers which require simultaneous modeling of transitions in quantum wells or dots together with EM cavity calculations, to modeling plasmonic structures in the presence of EM field emissions, and to on-chip propagation within monolithic integrated circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Angular dependent light emission from planar waveguides

We have investigated the angular dependence of amplified spontaneous emission (ASE) and laser emission from an asymmetric and free-standing polymer thin films doped with rhodamine 6G, which is transversely pumped by a pulsed Nd:YAG laser. A semi-leaky waveguide or quasi-waveguide structure has been developed by spin coating technique. In these waveguides, the light was confined by the film/air-film/glass substrate interfaces. At the film/substrate interface, a portion of light will reflect back into the film (guided mode) and the remaining refracted to the substrate resulting in cutoff modes. A blue-shift in ASE has been observed when the pump power was increased from 8 to 20 mW allowing a limited range of tuning of emission wavelength. To study the directionality of the ASE from the waveguide, we have measured the output intensity and FWHM of emission spectra as a function of viewing angle (θ) from the plane parallel to film. From the detailed examination of the output emission spectra, as +θ increases from 0° there has been an initial decrease in output intensity, but at a particular angle ≈10° an increase in output intensity was observed. This additional peak in output intensity as +θ is a clear indication of coexistence of the cutoff mode. We also present a compact solid-state laser based on leaky mode propagation from the dye-doped polymer free-standing film (∼50 μm thickness) waveguide. The partial reflections from the broad lateral surfaces of the free-standing films provided the optical feedback for the laser emission with high directionality. For a pump power of 22 mW, an intense line with FWHM <0.2 nm was observed at 578 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On-chip photonic system using suspended p-n junction InGaN/GaN multiple quantum wells device and multiple waveguides

We propose, fabricate, and characterize the on-chip integration of suspended p-n junction InGaN/GaN multiple quantum wells (MQWs) device and multiple waveguides on the same GaN-on-silicon platform. The integrated devices are fabricated via a wafer-level process and exhibit selectable functionalities for diverse applications. As the suspended p-n junction InGaN/GaN MQWs device operates under a light emitting diode (LED) mode, part of the light emission is confined and guided by the suspended waveguides. The in-plane propagation along the suspended waveguides is measured by a micro-transmittance setup. The on-chip data transmission is demonstrated for the proof-of-concept photonic integration. As the suspended p-n junction InGaN/GaN MQWs device operates under photodiode mode, the light is illuminated on the suspended waveguides with the aid of the micro-transmittance setup and, thus, coupled into the suspended waveguides. The guided light is finally sensed by the photodiode, and the induced photocurrent trace shows a distinct on/off switching performance. These experimental results indicate that the on-chip photonic integration is promising for the development of sophisticated integrated photonic circuits in the visible wavelength region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Imaging the magnetic nanowire cross section and magnetic ordering within a suspended 3D artificial spin-ice

Artificial spin-ice systems are patterned arrays of magnetic nanoislands arranged into frustrated geometries and provide insight into the physics of ordering and emergence. The majority of these systems have been realized in two-dimensions, mainly due to the ease of fabrication, but with recent developments in advanced nanolithography, three-dimensional artificial spin ice (ASI) structures have become possible, providing a new paradigm in their study. Such artificially engineered 3D systems provide new opportunities in realizing tunable ground states, new domain wall topologies, monopole propagation, and advanced device concepts, such as magnetic racetrack memory. Direct imaging of 3DASI structures with magnetic force microscopy has thus far been key to probing the physics of these systems but is limited in both the depth of measurement and resolution, ultimately restricting measurement to the uppermost layers of the system. In this work, a method is developed to fabricate 3DASI lattices over an aperture using two-photon lithography, thermal evaporation, and oxygen plasma exposure, allowing the probe of element-specific structural and magnetic information using soft x-ray microscopy with x-ray magnetic circular dichroism (XMCD) as magnetic contrast. The suspended polymer–permalloy lattices are found to be stable under repeated soft x-ray exposure. Analysis of the x-ray absorption signal allows the complex cross section of the magnetic nanowires to be reconstructed and demonstrates a crescent-shaped geometry. Measurement of the XMCD images after the application of an in-plane field suggests a decrease in magnetic moment on the lattice surface due to oxidation, while a measurable signal is retained on sub-lattices below the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin waves above and below the Verwey transition in TbBaFe 2 O 5

TbBaFe 2 O 5+δ (TBFO) is a mixed valence compound with an antiferromagnetic order (T N =450K) that changes along with the crystal structure and conductivity upon cooling below a Verwey-like transition (TV=280K). This type of double-cell-layered perovskite is useful to study putative charge ordering in fractional valence systems because the crystal structure develops unique sites for the different valence states. While the evolution of the static magnetic structure in the different charge ordered states of TBFO is known, in this study we investigate the effect of charge ordering on the magnetic interactions. Dispersive magnetic excitations measured using single crystal inelastic neutron scattering experiments at T=4K V and T=320K>T V are modeled with linear-spin-wave theory to extract anisotropy and superexchange parameters. Below T V , we observe a sizable magnon gap due to an easy-axis magnetic anisotropy that closes above T V due to the evolution of easy-plane anisotropy. The magnetic interactions are found to be highly three-dimensional and change across T V . Above T V , where the conductivity is greater, a damping term is required to model the spin waves that suggests a coupling to valence fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

A New Model for Simulating the Imbibition of a Wetting-Phase Fluid in a Matrix-Fracture Dual Connectivity System

The imbibition experiment is an effective approach for measuring petrophysical properties of porous media, with many such experiments performed over the past decade. Quite some empirical, analytical, and numerical models have been developed to simulate spontaneous imbibition of the wetting phase fluid into porous media, but limitations still exist. In previous studies, the imbibition process has been considered to give a piston-like displacement or the porous medium modeled as multiply-sized pores linked with bonds; both approaches fail to yield comprehensive results due to their neglect of the presence of irregular fractures or nonuniform flow paths through the matrix. By building a numerical model for simulating laboratory-scale experimental data, we performed imbibition tests on several fractured Barnett Shale samples having fractures either parallel ( P ) or transverse ( T ) to the bedding plane and used MATLAB to build a new numerical model by combining the imbibition process in fractures and the matrix using concepts from percolation theory. The experimental data show that the rocks with P -direction fractures have a more steady increase of imbibition rates than the case of T -direction one. As the shale matrix with low pore connectivity hampers the upward water movement, the imbibition rate of shales with T -direction fractures will decrease suddenly after the bottom layer in contact with water is saturated during the initial period. This wetting phase movement (WPM) model can simulate 3D porous media with 2D fractures. The rate of imbibition by fractured porous media is associated with physical parameters such as porosity and fracture distribution (e.g., the number and angle of fractures). Using Monte Carlo methods, we examined fracture parameters and predicted elapsed time and cumulative water imbibition, for the Barnett Shale samples. The results show that the rate of imbibed water mass is sensitive to the number of fractures directly connected to water source, and the connectivity between two neighboring grid cells is a key parameter for the wetting-front progression. The findings of this study can help to better understand the imbibition process with multiple influencing processes and factors in fractured-matrix rocks. Although the experiments, data simulation, and prediction results are based only on Barnett Shale samples, the model is readily applicable to imbibition tests of other fractured rocks to show the spatial and temporal behavior during a dynamic imbibition process that are not easily captured experimentally.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Elucidation of perovskite film micro-orientations using two-photon total internal reflectance fluorescence microscopy

The emergence of efficient hybrid organic-inorganic perovskite photovoltaic materials has caused the rapid development of a variety of preparation and processing techniques designed to maximize their performance. As processing methods continue to emerge, it is important to understand how the optical properties of these materials are affected on a microscopic scale. Here polarization resolved two-photon total internal reflectance microscopy (TIRFM) was used to probe changes in transition dipole moment orientation as a function of thermal annealing time in hybrid organic-inorganic lead iodide based perovskite (CH 3 NH 3 PbI 3 ) thin films on glass. These results show that as thermal annealing time is increased the distribution of transition moments pointing out-of-plane decreases in favor of forming areas with increased in-plane orientations. As a result, it was also shown through the axial sensitivity of TIRFM that the surface topography is manifested in the signal intensity and can be used to survey aspects of morphology in coincidence with the optical properties of these films.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tough and circular glass fiber composites via a tailored dynamic boronic ester interface

Glass fiber reinforced polymer (GFRP) composites are valued for their strength and cost-effectiveness. However, traditional GFRPs often face challenges for end-of-life recycling due to their non-depolymerizable thermoset matrices, and long-term performance due to inadequate interfacial adhesion, which can lead to fiber–matrix delamination. Here, in this work, we have designed dynamic fiber–matrix interfaces to allow tough and closed-loop recyclable GFRPs by utilizing a vitrimer, derived from upcycled polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (SEBS) with boronic ester (S-Bpin) and amine-based diol crosslinker. The boronic ester groups in S-Bpin form dynamic covalent bonds with the naturally present hydroxyl groups on the unsized GF surface, which eliminates the need for fiber sizing and enables facile closed-loop recyclability of both the fibers and the vitrimer matrix. The resulting strong fiber–matrix interface, depicted by the Raman mapping, leads to a 552% increase in-plane shear toughness (6.2 ± 0.3 MJ m -3 ) and 27% ultimate tensile strength (361 ± 89.2 MPa) compared to those of the conventional epoxy-based matrix (0.95 ± 0.05 MJ m -3 and 264 ± 59.7 MPa, respectively). The network rearrangement through dynamic boronic ester exchange enables fast thermoformability and repairability of micro-cracks at elevated temperatures. Additionally, both the matrix and composite demonstrate strong adhesion to various surfaces including steel and glasses exhibiting ≥6 MPa lap shear strength, which expands their suitability for diverse industrial applications. The readily created dynamic interface between boronic ester functionalized vitrimer and neat GFs presents a promising strategy for developing closed-loop recyclable, multifunctional structural materials, offering a sustainable alternative to non-recyclable thermoset GFRPs and contributes to a circular economy in composite materials.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The role of the gas/plasma plume and self-focusing in a gas-filled capillary discharge waveguide for high-power laser-plasma applications

The role of the gas/plasma plume at the entrance of a gas-filled capillary discharge plasma waveguide in increasing the laser intensity has been investigated. Distinction is made between neutral gas and hot plasma plumes that, respectively, develop before and after discharge breakdown. Time-averaged measurements show that the on-axis plasma density of a fully expanded plasma plume over this region is similar to that inside the waveguide. Above the critical power, relativistic and ponderomotive self-focusing lead to an increase in the intensity, which can be nearly a factor of 2 compared with the case without a plume. When used as a laser plasma wakefield accelerator, the enhancement of intensity can lead to prompt electron injection very close to the entrance of the waveguide. Self-focusing occurs within two Rayleigh lengths of the waveguide entrance plane in the region, where the laser beam is converging. Analytical theory and numerical simulations show that, for a density of 3.0 × 10{sup 18} cm{sup −3}, the peak normalized laser vector potential, a{sub 0}, increases from 1.0 to 1.85 close to the entrance plane of the capillary compared with a{sub 0} = 1.41 when the plume is neglected.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Characterization of a detector chain using a FPGA-based time-to-digital converter to reconstruct the three-dimensional coordinates of single particles at high flux

We report on the development of a novel FPGA-based time-to-digital converter and its implementation in a detection chain that records the coordinates of single particles along three dimensions. The detector is composed of micro-channel plates mounted on top of a cross delay line and connected to fast electronics. We demonstrate continuous recording of the timing signals from the cross delay line at rates up to 4.1 × 10{sup 6} s{sup −1} and three-dimensional reconstruction of the coordinates up to 3.2 × 10{sup 6} particles per second. From the imaging of a calibrated structure we measure the in-plane resolution of the detector to be 140(20) μm at a flux of 3 × 10{sup 5} particles per second. In addition, we analyze a method to estimate the resolution without placing any structure under vacuum, a significant practical improvement. While we use UV photons here, the results of this work apply to the detection of other kinds of particles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-T-244: Designing Low-Z Targets To Enhance Surface Dose: A Monte Carlo Simulation

Purpose: Recent developments in The Varian Truebeam linac platform allows for the introduction of low-Z targets into the beam line for the imaging purposes. We have proposed using a low-Z target for radiation therapy purposes to enhance the surface dose during radiation treatment. The target arm of the Varian Truebeam accelerator consists of multiple targets with are linearly translated into the beam line. We have designed two Low-Z targets made of carbon: 1) a step target consisting of three steps of 15%, 30% and 60% CSDA range for 2.5 MeV electrons Figure 1a; 2) and a ramp target, an incline plane 2cm long with thicknesses ranging from 0% to 60% CSDA range, Figure 1b. The purpose of this work will determine the spectral characteristics of these target designs and determine if they have practical clinical applications for enhancing surface dose. Methods: To calculate the spectral characteristics of these targets, a standard Monte Carlo model of a Varian Clinac accelerator was used. Simulations were performed with a carbon step target, and a carbon ramp target, located at the same position as the electron foil in the rotating carousel. Simulations were carried out using a 2.5 MeV electron beam. Results: The step target design produced spectral characteristics which were similar to spectral model using a single disk target of the same thickness. The ramp target provides a means to have positional variation of the spectral components of the beam, however, the electron component as 60% CSDA us much broader than the step target. Conclusion: The carbon step-target provides a spectral distribution which is similar to a carbon disk of comparable thickness. The spectral distribution from the ramp-target can be modified as a function of position to provide a wide range of low energy electrons for surface dose enhancement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Marine Corps Base Camp Lejeune CLARIS-measured beach topography

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of encroachment pressures in surrounding areas, impairments due to other anthropogenic disturbances, and changes in climate and sea level. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and also optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the second 5 years of the program (DCERP2) are presented in the DCERP2 Final Report.There were four overarching objectives of DCERP2. The first objective was to understand the effects of climate change impacts, including warming temperatures, variability in the hydrological cycle, storm events, and sea level rise on the coastal ecosystems at MCBCL from observations and measurements made over the 10-year program. The second objective was to understand the carbon cycle of the coastal and terrestrial ecosystems at MCBCL through a highly integrated sampling program. The third objective was to develop models, tools, and indicators to evaluate current and projected future ecosystem state changes and translate scientific findings into actionable information for installation managers. The last objective was to recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.Coastal Lidar And Radar Imaging System collects X-band radar and terrestrial lidar from a mobile platform. Sensor position, orientation and elevation are corrected from simultaneous observations of platform motion and position via a POS LV (Applanix). Topography data are referenced to NAVD88 meters in the vertical and horizontal position, were originally collected in NAD83 North Carolina State plane meters, and have been transformed to geographic coordinates. Dense point cloud data from terrestrial lidar have been gridded to grid node spacing of 2m. Data span from the primary dune to the lower foreshore down the length of Onslow Beach (excluding northern ordinance exclusion zone).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Image-optimized Coronal Magnetic Field Models

We have reported previously on a new method we are developing for using image-based information to improve global coronal magnetic field models. In that work, we presented early tests of the method, which proved its capability to improve global models based on flawed synoptic magnetograms, given excellent constraints on the field in the model volume. In this follow-up paper, we present the results of similar tests given field constraints of a nature that could realistically be obtained from quality white-light coronagraph images of the lower corona. We pay particular attention to difficulties associated with the line-of-sight projection of features outside of the assumed coronagraph image plane and the effect on the outcome of the optimization of errors in the localization of constraints. We find that substantial improvement in the model field can be achieved with these types of constraints, even when magnetic features in the images are located outside of the image plane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Probing nuclear effects in neutrino induced pion production

The discovery of neutrino oscillations has opened the door to searches for matterantimatter asymmetries in the lepton sector. Current accelerator-based longbaseline neutrino oscillation experiments, like T2K and NOnA, probing this phenomenon are moving into the realm of high statistics but systematically limited measurements. As a result work in reducing the dominant uncertainties in neutrino oscillations has become crucial in developing our understanding of leptonic CP Violation. One of the dominant uncertainties lies in our understanding of neutrinonucleus interactions. These affect our ability to determine the selection efficiencies for the respective signal and backgrounds, and the reconstruction of the neutrino energy spectra. This is due to our limited knowledge of nuclear effects and has renewed interest in neutrino-nucleus scattering measurements. This thesis presents work on a novel method of isolating nuclear effects which can be applied to isolate interactions on hydrogen. Using Double Transverse Momentum— a kinematic imbalance of the final state hadronic system transverse to the neutrino direction and muon momentum plane, phenomenological studies are performed into its ability to probe nuclear effects. We assess the feasibility of isolating neutrino-interactions on hydrogen in composite nuclear targets using the T2K near detector, ND280. This work is extended on to the MINERnA Experiment where work is undertaken in order to understand the heavy nuclear background. The first differential dpTT cross section measurement for final states containing at least one proton and p0 using the MINERnA detector is reported.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗