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Results for “Contour method”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Cauchy-type integral method for solving the linearized one-dimensional Vlasov-Poisson equation

Here, we present a method for solving the linearized Vlasov-Poisson equation, based on analyticity properties of the equilibrium and initial condition through Cauchy-type integrals, that produces algebraic expressions for the distribution and field, i.e., the solution is expressed without integrals. Standard extant approaches involve deformations of the Bromwich contour that give erroneous results for certain physically reasonable configurations or eigenfunction expansions that are misleading as to the temporal structure of the solution. Our method is more transparent, lacks these defects, and predicts previously unrecognized behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Constraining Galaxy-Halo connection using machine learning

We investigate the potential of machine learning (ML) methods to model small-scale galaxy clustering for constraining Halo Occupation Distribution (HOD) parameters. Our analysis reveals that while many ML algorithms report good statistical fits, they often yield likelihood contours that are significantly biased in both mean values and variances relative to the true model parameters. This highlights the importance of careful data processing and algorithm selection in ML applications for galaxy clustering, as even seemingly robust methods can lead to biased results if not applied correctly. ML tools offer a promising approach to exploring the HOD parameter space with significantly reduced computational costs compared to traditional brute-force methods if their robustness is established. Using our ANN-based pipeline, we successfully recreate some standard results from recent literature. Properly restricting the HOD parameter space, transforming the training data, and carefully selecting ML algorithms are essential for achieving unbiased and robust predictions. Among the methods tested, artificial neural networks (ANNs) outperform random forests (RF) and ridge regression in predicting clustering statistics, when the HOD prior space is appropriately restricted. We demonstrate these findings using the projected two-point correlation function (w p (r p )), angular multipoles of the correlation function (ξ ℓ (r)), and the void probability function (VPF) of Luminous Red Galaxies from Dark Energy Spectroscopic Instrument mocks. Our results show that while combining w p (r p ) and VPF improves parameter constraints, adding the multipoles ξ 0 , ξ 2 , and ξ 4 to w p (r p ) does not significantly improve the constraints.

cosmology↗
DOE OSTI2024

Identifying Topological Defects in Lamellar Phases through Contour Analysis of Complex Wave Fields

Lamellar phases frequently contain structural imperfections that significantly affect their behaviors and properties. Our previous research successfully reconstructed real-space configurations of defective lamellar phases from diffuse scattering patterns, indicating the presence of phase vortices as a potential method for identifying topological defects disrupting the smectic ordering. Here, this report presents a mathematical framework using regularized wave fields to represent defective lamellar structures in real space. Phase singularities, resulting from the interference of random waves and indicating lamellar order disruption, are identified through a contour integral. These wave fields, derived from coherent scattering in reciprocal space, were validated via computational benchmarks analyzing small-angle neutron scattering data from AOT surfactant solutions, facilitating further statistical analysis of the defects. Our study highlights the potential to extract meaningful information about topological defects in lyotropic phases by inversely analyzing experimentally measured two-point static correlations. Our method allows for detailed structural analysis of various lyotropic phases, both particulate and nonparticulate, in their quiescent states and facilitates quantitative investigation of defects’ role in phase transitions. By integrating small-angle scattering, deep learning, and vortex tangle analysis, our comprehensive approach shows promise in addressing complex challenges in the structural analysis of soft matter systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Real-time spin systems from lattice field theory

We construct a lattice field theory method for computing the real-time dynamics of spin systems in a thermal bath. This is done by building on previous work of Takano with Schwinger-Keldysh and functional differentiation techniques. We derive a Schwinger-Keldysh path integral for generic spin Hamiltonians, then demonstrate the method on a simple system. Our path integral has a sign problem, which generally requires exponential run time in the system size, but requires only linear storage. The latter may place this method at an advantage over exact diagonalization, which is exponential in both. Our path integral is amenable to contour deformations, a technique for reducing sign problems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Uncertainty Analysis of Consequence Management Data Products

An interlaboratory effort has developed a probabilistic framework to characterize uncertainty in data products that are developed by the US Department of Energy Consequence Management Program in support of the Federal Radiological Monitoring and Assessment Center. The purpose of this paper is to provide an overview of the probability distributions of input variables and the statistical methods used to propagate and quantify the overall uncertainty of the derived response levels that are used as contours on data products due to the uncertainty in input parameters. Uncertainty analysis results are also presented for several study scenarios. This paper includes an example data product to illustrate the potential real-world implications of incorporating uncertainty analysis results into data products that inform protective action decisions. Data product contours that indicate areas where public protection actions may be warranted can be customized to an acceptable level of uncertainty. Finally, the investigators seek feedback from decision makers and the radiological emergency response community to determine how uncertainty information can be used to support the protective action decision-making process and how it can be presented on data products.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Assessment of simulated and observed cavitation-induced erosion damage in Spallation Neutron Source target vessels

Cavitation-induced erosion damage in different Spallation Neutron Source (SNS) target designs are simulated using explicit finite element–based techniques and compared with observations of erosion in targets after operation. The efficacy of the previously developed method, called saturation time, was evaluated using erosion-damaged samples from new target designs. A new metric called maximum bubble size was implemented under the rationale that larger cavitation bubbles will collapse more intensely. The maximum cavitation bubble size over 1 ms of simulated time was calculated based on the Rayleigh–Plesset equation for each element integration point and presented as a contour map at the vessel surface for assessing with erosion observations. SNS targets are now operated with helium gas injection to reduce cavitation damage. A simulation method using a material model for the mixture of mercury and gas bubbles was recently developed and used to account for the effect of small gas bubbles on the structural response of the target vessel. Furthermore, this work compares the new method's results with observed cavitation damage. Maps of the calculated maximum bubble size for targets operated with and without gas injection were compared with photographs of erosion damage observed in SNS targets. The patterns in maximum bubble size maps correlated well with observations of erosion patterns in target vessels after service. Advantages and challenges of the maximum bubble size simulation technique are provided, and differences between results from the previous and the newly proposed metric are discussed.

Jiang, Hao↗
DOE OSTI2023

A comparison of past and present computational methods for shape analysis of double-shell x-ray radiographs

Implosion symmetry is a key requirement in achieving a robust burning plasma in inertial confinement fusion experiments. In double-shell capsule implosions, we are interested in the shape of the inner shell as it pushes on the fuel. Shape analysis is a popular technique for studying said symmetry during implosion. Combinations of filtering and contour-finding algorithms are studied for their promise in reliably recovering Legendre shape coefficients from synthetic radiographs of double-shell capsules with applied levels of noise. A radial lineout max(slope) method when used on an image pre-filtered with non-local means and a variant of the marching squares algorithm are able to recover p 0 , p 2 , and p 4 maxslope Legendre shape coefficients with mean pixel discrepancy errors of 2.81 and 3.06, respectively, for the noisy synthetic radiographs we consider. Here, this improves upon prior radial lineout methods paired with Gaussian filtering, which we show to be unreliable and whose performance is dependent on input parameters that are difficult to estimate.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Three-body resonances in pionless effective field theory

We investigate the appearance of resonances in three-body systems using pionless effective field theory at leading order with two complementary methods. The Faddeev equation is analytically continued to the unphysical sheet adjacent to the positive real energy axis using a contour rotation. We consider both the three-boson system and the three-neutron system. For the former, we calculate the trajectory of Borromean three-body Efimov states turning into resonances as they cross the three-body threshold. For the latter, we find no sign of three-body resonances or virtual states at leading order. Furthermore, this result is validated by exploring the level structure of three-body states in a finite volume approach.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Intern Poster

Digital Image Correlation (DIC) is an optical technique that combines image registration and tracking methods for accurate two-dimensional and three-dimensional changes in images. DIC software can be used to track the contour, deformation, and strain of a sample. In the Advanced Test Reactor (ATR) at INL (Idaho National Laboratory) there exists a small working window of samples that can become irradiated. Hundreds of graphite disks called piggybacks have undergone this irradiation as part of the Advanced Reactor Technologies (ART) program. After irradiation, it is desirable to understand the change in tensile strength as a function of dose. Due to the limited space in the ATR, typical dog bone tensile tests reduce the number of graphite samples from hundreds to tens. However, there does exist an ASTM standard, D8289, which uses disc compression of graphite to estimate the tensile strength of the specimen with the Brazilian Disk test fixture. While only used as an estimate, which is typically off by a third, it is the purpose of this study to identify how to amend D8289 to remove the word "estimate" with the help of DIC.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Out of time order correlation of the Hubbard model with random local disorder

The out-of-time-order correlator (OTOC) serves as a powerful tool for investigating quantum information spreading and chaos in complex systems. We present a method employing non-equilibrium dynamical mean-field theory and coherent potential approximation combined with diagrammatic perturbation on the Schwinger–Keldysh contour to calculate the OTOC for correlated fermionic systems subjected to both random disorder and electron interaction. Furthermore, our key finding is that random disorder enhances the OTOC decay in the Hubbard model for the metallic phase in the weakly interacting limit. However, the current limitation of our perturbative solver restricts the applicability to weak interaction regimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Low-Cost Preform and Molding Processes

The entry cost for prototyping a composite component for manufacture using automated, high rate processes is prohibitively expensive in many cases, especially for small business, where tooling costs may be several $100k. Discussions with industry also indicate that many small companies, tier 1 and 2 suppliers, have an interest to mold composite parts but do not want to deal with the capital cost, material handling issues, and labor associated with dry fiber preforming operations. While the molders may locate near the end user for logistics reasons, it may be more cost effective for the performer to remain regional and invest in capital equipment to support preform automation, thus keeping costs to a minimum. This project was designed to explore and demonstrate several options to meet these industry needs. Dry fiber preforming approaches were evaluated which allow for low pressure resin infusion, single sided tooling options such a vacuum assisted resin transfer molding (VARTM) or low pressure resin transfer molding (RTM-light). Unlike sheet molding compound, SMC compression molding where typical molding pressures of 1000 psi are required to push material into the desired location; positioning of a dry fiber preform into the desired location on the tool allows for low molding pressures of 10-50 psi. Lower molding pressures allow for use of low cost, additive fabrication of polymeric tooling. Polymeric tooling is suitable for rapid part prototyping and limited production. Dry fiber preforming approaches evaluated included use of commercial chopped strand mat, robotic chopper gun deposition, and continuous fiber preform augmentation using tailored fiber placement (TFP). Use of chopped strand mat does not require a robotic deposition method, however a cutting table is generally required and there is typically 20-30% scrap generation. While various fiber areal weights are available, the preform is not readily optimized for minimal fiber use or weight savings. In contrast, a robotic chopper gun approach allows for localized deposition where fiber is required to meet structural requirements. The robotic method is highly automated and minimizes fiber scrap, however the capital cost of the equipment and engineering labor for programming can result in higher preform cost compared to chopped strand mat in certain cases depending on preform complexity. Dry fiber preforming using the robotic chopper gun method allows for creation of three dimensional forms. This approach may be ideal for molding in-house, or if the preforms stack together densely to allow for efficient shipping. Applications evaluated for this program considered trade-off between fabrication of a fully 3D preform versus production of a flat preform which is designed to readily drape into the final desired shape. Such a preform design greatly simplifies robotic programming and requires no specialized tooling. The flat preforms are easily stacked and shipped to the final molding location. Flat preforms are much easier to augment with TFP continuous fiber to provide local reinforcement. The demonstration and evaluation of these preforming and tooling methods were completed on three component applications. The first application was a battery box cover for an electric vehicle which was highly three dimensional. The second demonstrator article was comprised of complex contours and was used to demonstrate the use of TFP and RTM-light molding process. The third demonstration article was the roof of an operator’s cab for large construction equipment. The roof is relatively flat however it is comprised of complex changes in thickness which clearly demonstrate the advantage of robotic chopper gun approach as compared to using numerous preform layers of chopped strand mat. The cost trades for the various preforming methods are summarized to help guide the reader as to preforming method considerations. Finally, these demonstrations all used glass fiber roving. A fourth, exploratory task was added to evaluate the ability to make preforms using Zoltek’s carbon fiber split tow roving. We were able to adapt the chopper gun to make flat preforms for laminate testing, but further development effort would be required to make suitable preforms.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Highlight of IC project: w25_dreamxd

(left) The Earth’s radiation belts are donut-shaped regions containing MeV electrons (color contour for density) trapped by the magnetic field (white curves). We use DREAMxD code to model their dynamics. (right) We develop a new method to accelerate a key piece of the code – diffusion coefficient calculation. Comparing the compute time in node hours required by the standard approach to the compute time required for the fast method, it shows that the new method can be 100x faster for a large problem size.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Digital fabrication of a small diameter polymer optical waveguide

A novel polymer optical waveguide and method of manufacturing is presented herein. A digitally manufactured process is described which utilizes a micro-dispensed UV optical adhesive as the contour guiding cladding, a fused deposition modeling technology for creating a core, and a subtractive laser process to finish the two ends of the optical interconnect. The optical waveguide can be printed directly on a circuit board in some embodiments. Alternatively, using a slightly modified process including a step to bond the optical fiber to the substrate, the optical interconnect can be manufactured on a flexible substrate.

Bhethanabotla, Venkat Rama↗
DOE OSTI2025

In Situ Atmospheric Plume Thermometry via Carbon Monoxide Spectral Profile: Laboratory and Field Validation

For small molecules with large rotational constants, knowing the relative intensities of the ro-vibrational transitions can be used to determine the temperature within a gas plume. We demonstrate the use of carbon monoxide (CO) as an in situ spectroscopic probe of gas plume temperature by application of both laboratory and standoff Fourier transform infrared spectroscopy to monitor the CO spectral response at different temperatures. Here, the measured CO rotational contours were analyzed using a simple Boltzmann model to deduce the population distribution of the J-levels, from which the in-plume temperature is deduced. The method was vetted by comparing deduced temperatures in both static laboratory measurements of known temperatures, as well as field measurements using a simulated smokestack release. For the smokestack experiments, spectroscopically deduced temperatures were compared to readings from a series of thermocouples placed at strategically sampled distances along the plume trajectory. Both the spectroscopically-derived and thermocouple-measured temperatures revealed an expansion-induced (mixing) rapid cooling of the plume, with the infrared thermometry values displaying greater temperature values which are believed to better represent the actual plume temperatures.

Analysis of rotational structure↗
DOE OSTI2022

Dynamical chemistry: non-equilibrium effective actions for reactive fluids

Abstract We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved—or to account for chemical reactions, non-conserved—currents to local-equilibrium parameters. The second method involves a higher-brow approach in which we attack the same problem from the perspective of non-equilibrium effective field theory (EFT). Non-equilibrium effective actions are defined using the in–in formalism on the Schwinger–Keldysh contour and are therefore capable of describing thermal fluctuations and dissipation as well as quantum effects. The non-equilibrium EFT approach is especially powerful as all terms in the action are fully specified by the symmetries of the system; in particular the second law of thermodynamics does not need to be included by hand, but is instead derived from the action itself. We find that the equations of motion generated by both methods agree, but the EFT approach yields certain advantages. To demonstrate some of these advantages we construct a quadratic action that is valid to very small distance scales—much smaller than the scales at which ordinary hydrodynamic theories break down. Such an action captures the full thermodynamic and quantum behavior of reactions and diffusion at quadratic order. Finally, taking the low-frequency and low-wavenumber limit, we reproduce the linearized version of the well-known reaction–diffusion equations as a final coherence check.

Mechanics↗
DOE OSTI2023

Understanding the origin of Tabula Rasa-induced defects in n-type Cz c-Si: The case of nitrogen atmosphere

Phosphorus-doped Czochralski-grown silicon (Cz-Si) has been gaining market share in the large-scale manufacturing of high-efficiency silicon (Si)-based photovoltaic (PV) devices thanks to higher carrier lifetimes than their boron-doped counterpart. However, the fabrication of n-type Cz-Si based solar cells often requires process steps with much higher temperatures and longer times than p-type Silicon. Defect interaction with the high temperatures during such processes tend to be detrimental to the n-type Cz-Si carrier lifetime, therefore limiting the final device efficiency. Short thermal anneals before cell processing, known as Tabula Rasa (TR), have been proposed to mitigate the thermally induced lifetime degradation during n-type Cz-Si solar cell fabrication. This work thoroughly investigates the defects responsible for the lifetime degradation after TR in a N 2 atmosphere treatment. We use temperature-injection-dependent lifetime spectroscopy and the thickness variation method to decouple the effects of TR treatment in the bulk and the surface of the n-type Cz-Si wafers. Using the defect parameter contour mapping (DPCM), we identify the defect energy level (E t ) and the capture cross-section ratio (k) of the most likely process-induced defect, which aligns with previously proposed Si vacancy-associated defects. The DPCM reveals that these vacancy-associated defects have a shallow energy level E t - E v ~0.13 eV and very efficient electron capture cross section k~600. Unexpectedly, the bulk degradation due to vacancy defects in the volume of the wafer, is accompanied by a significant increase in the surface recombination as well. Through evaluating the surface recombination velocity temperature- and injection dependence, we show that after TR, at room temperature and for an injection level of 10 15 cm -3 , in a wafer passivated with a-Si:H(i) the surface recombination dominates the overall lifetime response. Here we hypothesize that the near surface vacancy-associated bulk defects play a role in lowering the electron diffusion current into the a-Si:H(i) from the c-Si(n) reducing the field-effect passivation.

14 SOLAR ENERGY↗
DOE OSTI2024

Unified wavefront singularity characterization of three-dimensional elastodynamic time-domain half-space Green's function under impulsive boundary and internal loads

Founded on a novel analytical formulation that led to a rigorous yet compact path-integral representation of the time-domain elastodynamic half-space Green's function, a unified analysis of the possible occurrence of different singular wavefront behaviour in the response under arbitrary impulsive internal or surface point loads at arbitrary source-receiver locations is presented. With the decomposition of the general solution into distinct initiating and reflected wave group integrals that share a common factored format and simple contour definitions, the mathematical framework is shown to allow a straightforward identification of the specific conditions and the particular wave groups that are responsible for the singular wavefront phenomena without resorting to advanced analytic function theories or asymptotic methods. Analytic characterizations of the nature, strength and direction of all intrinsic singular wavefront behaviours of the three-dimensional Green's function in three canonical cases of source-receiver configurations are given in a dual integral-closed form format to facilitate their theoretical understanding as well as computational applications. Graphical illustrations of their variation with the source-receiver configuration and the medium's Poisson's ratio together with relevant comparison and clarifications of some classical treatments are included.

Green’s functions↗
DOE OSTI2021

Broken Luttinger theorem in the two-dimensional Fermi-Hubbard model

One of the fundamental questions about high-temperature cuprate superconductors is the size of the Fermi surface underlying the superconducting state. By analyzing the single-particle spectral function for the Fermi-Hubbard model as a function of repulsion U and chemical potential μ, we find that the Fermi surface in the normal state undergoes a transition from a large Fermi surface matching the Luttinger volume as expected in a Fermi liquid, to a Fermi surface that encloses fewer electrons that we dub the “Luttinger breaking” phase, as the Mott insulator is approached. This transition into a non-Fermi-liquid phase that violates the Luttinger count occurs at a critical density in the absence of any other broken symmetry. We obtain the Fermi-surface contour from the spectral weight A k (ω = 0) and from an analysis of the singularities of the Green's function Re G k (E = 0), calculated using determinantal quantum Monte Carlo and analytic continuation methods. We discuss our numerical results in connection with experiments on Hall measurements, scanning tunneling spectroscopy, and angle-resolved photoemission spectroscopy.

36 MATERIALS SCIENCE↗