Search NASA⌕ Search

SEARCH · Search NASA

Results for “spectral functions”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Recent progress on in-medium properties of heavy mesons from finite-temperature EFTs

Mesons with heavy flavor content are an exceptional probe of the hot QCD medium produced in heavy-ion collisions. In the past few years, significant progress has been made toward describing the modification of the properties of heavy mesons in the hadronic phase at finite temperature. Ground-state and excited-state thermal spectral properties can be computed within a self-consistent many-body approach that employs appropriate hadron-hadron effective interactions, providing a unique opportunity to confront hadronic Effective Field Theory predictions with recent and forthcoming lattice QCD simulations and experimental data. In this article, we revisit the application of the imaginary-time formalism to extend the calculation of unitarized scattering amplitudes from the vacuum to finite temperature. These methods allow us to obtain the ground-state thermal spectral functions. The thermal properties of the excited states that are dynamically generated within the molecular picture are also directly accessible. We present here the results of this approach for the open-charm and open-bottom sectors. We also analyze how the heavy-flavor transport properties, which are strongly correlated to experimental observables in heavy-ion collisions, are modified in hot matter. In particular, transport coefficients can be computed using an off-shell kinetic theory that is fully consistent with the effective theory describing the scattering processes. The results of this procedure for both charm and bottom transport coefficients are briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Neural Network Solver for Small Quantum Clusters

Machine learning approaches have recently been applied to the study of various problems in physics. Most of these studies are focused on interpreting the data generated by conventional numerical methods or the data on an existing experimental database. An interesting question is whether it is possible to use a machine learning approach, in particular a neural network, for solving the many-body problem. In this paper, we present a neural network solver for the single impurity Anderson model, the paradigm of an interacting quantum problem in small clusters. We demonstrate that the neural-network-based solver provides quantitative accurate results for the spectral function as compared to the exact diagonalization method. This opens the possibility of utilizing the neural network approach as an impurity solver for other many-body numerical approaches, such as the dynamical mean field theory.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Non-Fermi Liquid Behavior in the Three-Dimensional Hubbard Model

We present a numerical study on the non-Fermi liquid behavior of a three-dimensional strongly correlated system. The Hubbard model in a simple cubic lattice is simulated by the dynamical cluster approximation; in particular, the quasi-particle weight is calculated at finite dopings for a range of temperatures. By fitting the quasi-particle weight to the marginal Fermi liquid form at finite doping near the putative quantum critical point, we find evidence of a separatrix between Fermi liquid and non-Fermi liquid regions. Our results suggest that a marginal Fermi liquid and possibly a quantum critical point exist in the non-symmetry broken solution of the three-dimensional interacting electron systems. We also calculate the spectral function, close to the half-filling, and we obtain evidence of pseudogap.

Kellar, Samuel↗
DOE OSTI2021

JLab E12-14-012 (e,e'p) cross section measurements for Ar and Ti

One of the limitations of accelerator based neutrino oscillation experiments including the Deep Underground Neutrino Experiment (DUNE), is the lack of understanding on how neutrino interact in matter. As an indispensable part of the neutrino physics future, DUNE is an accelerator based experiment that will use Argon as the neutrino target. Argon is a complicated target and a well defined theoretical model for neutrino interaction on Argon is needed. Thus, the JLab E12-14-012 experiment was performed in Hall A at Jefferson Lab in Newport, News, VA to help develop a neutrino-nucleus model for Argon. Data was collected on five targets (Argon, titanium, carbon, dummy and optical) for five different kinematic set-ups. The primary goal of this experiment is to measure the spectral functions of Argon and Titanium through (e,e?p) reactions. This thesis will present an overview of the experimental setup and results from the data analysis

Gu, Linjie↗
DOE OSTI2023

One and Two-Body Current Contributions to Lepton-Nucleus Scattering

Modeling lepton-nucleus scattering with the accuracy required to extract neutrino-oscillation parameters from long- and short-baseline experiments necessitates retaining most quantum-mechanical effects. One such effect is the interference between one- and two-body current operators in the transition currents, which has been known to enhance the cross-sections, especially in transverse kinematics. In this work, we incorporate such interference in the spectral function formalism, which combines relativistic currents and kinematics with an accurate description of the initial target state. Our analysis of lepton-scattering off $^{12}$C demonstrates that interference effects appreciably enhance the transverse electromagnetic response functions and the flux-folded neutrino-nucleus cross section, in both cases, improving the agreement with experimental data. We discuss the impact on the neutrino-oscillation program and the determination of nucleon axial form factors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Probing the Isospin Composition of Short-Range Correlated Pairs at Jefferson Lab Hall B

Nucleons in short-range correlated (SRC) pairs, due to their close proximity and high relative momentum, can provide insight into the short-range part of the strong nuclear interaction. In particular, the prevalence of np pairs is due to the dominance of a tensor term for correlated nucleons with momenta of approximately 400?600 MeV/c. This dissertation comprises two studies advancing the community?s understanding of the isospin composition of SRC pairs. First, I performed a study of proton and neutron knockout from initially low-momentum and high-momentum states in 3He. Previous work has shown that protons are disproportionately represented in high-momentum states in neutron-rich nuclei. I demonstrate that spectral functions for the proton-rich nucleus 3He predict, in agreement with data, that neutrons are disproportionately represented in high-momentum states, but that 3He does not display the same strong prevalence of np pairs that is observed in larger nuclei. Second, Generalized Contact Formalism (GCF), a well-supported theory for predicting SRC behavior, predicts the transition from an isospin-dependent, tensor-dominant interaction at intermediate distances to a scalar-dominant, isospin-independent interaction at very short distances. This dissertation uses data from the CLAS12 Nuclear Targets Experiments in Hall B at Jefferson Lab to measure the relative abundances of pp and pn pairs for increasing relative momentum and decreasing separation. I provide an independent confirmation of the previously-observed increase in pp pairs at increasing momentum of the struck nucleon. I also contribute to the application of the new CLAS12 Central Neutron Detector by precisely measuring the neutron detection efficiency and developing a machine learning model for rejecting charged particle background.

Seroka, Erin↗
DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

We generalize the spectral-function formalism to describe two-nucleon knockout processes in exclusive kinematics. Significant improvements are introduced both in the treatment of the current operators entering the $Δ$-current contribution and in the modeling of correlations between the two struck nucleons, including a consistent treatment of isospin dependence and the explicit incorporation of angular correlations. The framework is validated through comparisons with relativistic Fermi-gas calculations and with semi-exclusive electron-nucleus scattering data. Our results demonstrate that an accurate description of nuclear dynamics plays a crucial role in modeling this reaction mechanism. We further present a study of selected electroweak observables relevant to neutrino-scattering experiments.

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗
DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

We generalize the spectral-function formalism to describe two-nucleon knockout processes in exclusive kinematics. Significant improvements are introduced both in the treatment of the current operators entering the $Δ$-current contribution and in the modeling of correlations between the two struck nucleons, including a consistent treatment of isospin dependence and the explicit incorporation of angular correlations. The framework is validated through comparisons with relativistic Fermi-gas calculations and with semi-exclusive electron-nucleus scattering data. Our results demonstrate that an accurate description of nuclear dynamics plays a crucial role in modeling this reaction mechanism. We further present a study of selected electroweak observables relevant to neutrino-scattering experiments.

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗
DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

We generalize the spectral-function formalism to describe two-nucleon knockout processes in exclusive kinematics. Significant improvements are introduced both in the treatment of the current operators entering the $Δ$-current contribution and in the modeling of correlations between the two struck nucleons, including a consistent treatment of isospin dependence and the explicit incorporation of angular correlations. The framework is validated through comparisons with relativistic Fermi-gas calculations and with semi-exclusive electron-nucleus scattering data. Our results demonstrate that an accurate description of nuclear dynamics plays a crucial role in modeling this reaction mechanism. We further present a study of selected electroweak observables relevant to neutrino-scattering experiments.

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗
DOE OSTI2026

Impact of Two-Body Currents on Semi-Exclusive Lepton-Nucleus Reactions

We generalize the spectral-function formalism to describe two-nucleon knockout processes in exclusive kinematics. Significant improvements are introduced both in the treatment of the current operators entering the $Δ$-current contribution and in the modeling of correlations between the two struck nucleons, including a consistent treatment of isospin dependence and the explicit incorporation of angular correlations. The framework is validated through comparisons with relativistic Fermi-gas calculations and with semi-exclusive electron-nucleus scattering data. Our results demonstrate that an accurate description of nuclear dynamics plays a crucial role in modeling this reaction mechanism. We further present a study of selected electroweak observables relevant to neutrino-scattering experiments.

Rocco, N. [Fermilab; Valencia U., IFIC] (ORCID:000↗
DOE OSTI2025

Across the Scales of the Nucleus: Understanding Short Range Correlations from Medium Modification to Probe Independence

The atomic nucleus presents an intricate system due to the non-linear forces described by Quantum Chromodynamics (QCD) that govern its structure. The range of scales involved is remarkable; the most massive nuclei weigh approximately five orders of magnitude more than the quarks that compose them. The nucleus can be analyzed at various levels, from quarks to hadrons to the nucleus as a whole. Short-Range Correlations (SRCs) within the nucleus play a significant role that spans these diverse scales. At the most fundamental level, SRCs influence the interaction between nucleons. The nucleon-nucleon (NN) interaction, arising from QCD, is crucial in determining nuclear properties. SRCs serve as valuable probes for measuring this NN interaction, as the nucleons within SRCs become effectively decoupled from the rest of the nucleus. Multiple experimental techniques, including electron scattering, have been employed to investigate the NN interaction through SRCs. However, our first project demonstrates that inclusive measurements alone are inadequate to constrain this interaction fully. Moving to the scale of the nucleus, SRCs contribute to the high-momentum tail of the nuclear spectral function. While the low-momentum region is characterized by nucleons exhibiting bulk properties, nucleons begin to pair into SRCs at higher momenta. Our research aims to bridge the understanding between the mean-field portion of the nucleus and its high-momentum SRC components. Additionally, SRCs affect the quark structure of protons, as evidenced by the EMC effect, which indicates that quarks behave differently when protons are embedded within a nucleus—an effect referred to as medium modification. This thesis explores the correlation between SRCs and medium modification across various experimental setups. Finally, we seek to establish an interpretation of the nuclear ground state. Accomplishing this requires demonstrating that our SRC observables are independent of the probe’s scale and scheme. The concluding project of this thesis illustrates how we utilize triple coincidence quasi-elastic scattering across a range of (Q2) values to develop a model-dependent framework for understanding SRC distributions within the nucleus’s ground-state wavefunction.

Denniston, A. W. Denniston [University of Tel Aviv↗
DOE OSTI2022

Towards Ab-Initio Simulations of Crystalline Defects at the Exascale Using Spectral Quadrature Density Functional Theory

Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase transitions in magnetic materials via disorder and doping. First principles Density Functional Theory (DFT) simulations can provide a detailed understanding of these phenomena. However, the number of atoms needed to correctly simulate these systems is often beyond the reach of many widely used DFT codes. The aim of this article is to discuss recent advances in first principles modeling of crystal defects using the spectral quadrature method. The spectral quadrature method is linear scaling with respect to the number of atoms, permits spatial coarse-graining, and is capable of simulating non-periodic systems embedded in a bulk environment, which allows the application of appropriate boundary conditions for simulations of crystalline defects. In this article, we discuss the state-of-the-art in ab-initio modeling of large metallic systems of the order of several thousand atoms that are suitable for utilizing exascale computing resourses.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Demonstration of RANS models with wall functions in the spectral element code Nek5000

The spectral element based computational fluid dynamics (CFD) code Nek5000 has been traditionally used for high-fidelity applications, such as direct numerical simulation (DNS) and large eddy simulation (LES). These techniques require very fine numerical resolution to accurately capture turbulent fluctuations which can be prohibitively expensive for users without access to leadership class computing facilities. For broader application and adoption, significant effort has been invested to develop Reynolds-averaged Navier–Stokes (RANS) capabilities in Nek5000. Here, this work presents details of the implementation and demonstration of the standard wall functions for the κ–τ model in Nek5000. Results using the wall-modeled approach are compared to a wall-resolved approach for cases with negligible pressure gradient, viz., channel flow, pipe flow and flow in a reactor subchannel. Results show reasonably good agreement between the two approaches for friction factor and Nusselt number. Some expected differences are identified near the wall. These cases demonstrate the potential for significant computational savings by using much coarser meshes for the wall-modeled approach, with only minor differences between the predicted result. Additionally, several Reynolds numbers up to 1,000,000 are demonstrated for pipe flow and predicted friction factors and Nusselt numbers compared well to available correlations, with the worst below 10%. As the Reynolds number is increased, better agreement is observed between the correlations and the wall-modeled approach. In addition, flow in a molten salt fast reactor (MSFR) core is considered which features an adverse pressure gradient and flow separation. It showcases the inability of standard wall functions to accurately predict flows with adverse pressure gradients. The results, however, match reasonably well in trend in regions of the flow where the boundary layer is attached. Ongoing research is dedicated to include a pressure gradient correction to wall functions to improve the accuracy of flows with separation or reattachment and adverse or favorable pressure gradients.

42 ENGINEERING↗
DOE OSTI2024

Dynamic Wind Loading on CSP Collectors Caused by Turbulent Wind Fluctuations: Insights from a 2-Year Field Campaign

Concentrating Solar Power (CSP) is a promising solar technology for electricity generation with thermal energy storage and with the additional benefit of industrial heat production. Wind loading on CSP collector structures, such as parabolic troughs or heliostats, is one of the primary drivers of their structural design costs. In particular, dynamic wind loading is a major source of uncertainty in the collector design process, which heavily relies on wind tunnel testing. In the field, the turbulent nature of the incoming wind creates fluctuating loads (support structure loads and resulting mirror deflections) on the collectors, with impacts on fatigue lifetime and optical performance. As is well known, wind tunnel tests cannot entirely reproduce the complex turbulent wind conditions typically observed at full-scale plants. To shed light on this topic, NREL initiated a field campaign at the operational Nevada Solar One (NSO) powerplant that uses parabolic troughs as solar collectors. The aim of the project is a detailed characterization of prevailing wind and turbulence conditions and resulting operational loads on parabolic troughs. We use the published 2-year dataset of high-resolution combined wind and structural loads measurements [1] to characterize the dynamic structural wind response. For quantifying dynamic wind loading, we apply the concept of admittance functions, which are spectral transfer functions that couple the turbulent wind to resulting structural loads (aerodynamic admittance), and to the structural response (mechanical admittance). In practice, aerodynamic admittance describes which turbulent eddy sizes are effective in creating structural loads. The mechanical admittance describes in which frequency ranges these loads are reinforced or dampened by the structure. While these functions are an established concept in civil engineering, their recent application to a single full-scale heliostat [2] proved their broader applicability to CSP collectors. Here, we present a characterization of admittance functions for full-scale parabolic trough collectors and show how wind characteristics (mean wind speed and direction, turbulent kinetic energy, turbulent length scales), the sun-tracking trough angle, and row position alter the admittance functions. Further, we study to which extent the admittance functions are universal for a specific trough geometry and how our findings compare to reported heliostat results. References [1] https://data.openei.org/submissions/5938. [2] Blume, K., Roger, M., and Pitz-Paal, R. 2023b. "Simplified analytical model to describe wind loads and wind-induced tracking deviations of heliostats." Solar Energy, 256, 96-109. https://doi.org/10.1016/j.solener.2023.03.055.

admittance functions↗
DOE OSTI2021

SDSS-IV MaNGA: Modeling the Spectral Line-spread Function to Subpercent Accuracy

The Sloan Digital Sky Survey IV Mapping Nearby Galaxies at APO (MaNGA) program has been operating from 2014 to 2020, and has now observed a sample of 9269 galaxies in the low redshift universe (z ∼ 0.05) with integral-field spectroscopy. With rest-optical (λλ0.36–1.0 μm) spectral resolution R ∼ 2000 the instrumental spectral line-spread function (LSF) typically has 1σ width of about 70 km s{sup −1}, which poses a challenge for the study of the typically 20–30 km s{sup −1} velocity dispersion of the ionized gas in present-day disk galaxies. In this contribution, we present a major revision of the MaNGA data pipeline architecture, focusing particularly on a variety of factors impacting the effective LSF (e.g., under-sampling, spectral rectification, and data cube construction). Through comparison with external assessments of the MaNGA data provided by substantially higher-resolution R ∼ 10,000 instruments, we demonstrate that the revised MPL-10 pipeline measures the instrumental LSF sufficiently accurately (≤0.6% systematic, 2% random around the wavelength of Hα) that it enables reliable measurements of astrophysical velocity dispersions σ {sub Hα} ∼ 20 km s{sup −1} for spaxels with emission lines detected at signal-to-noise ratio > 50. Velocity dispersions derived from [O II], Hβ, [O III], [N II], and [S II] are consistent with those derived from Hα to within about 2% at σ {sub Hα} > 30 km s{sup −1}. Although the impact of these changes to the estimated LSF will be minimal at velocity dispersions greater than about 100 km s{sup −1}, scientific results from previous data releases that are based on dispersions far below the instrumental resolution should be reevaluated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Stochastic frequency fluctuation super-resolution imaging

The inherent non-linearity of intensity correlation functions can be used to spatially distinguish identical emitters beyond the diffraction limit, as achieved, for example, in super-resolution optical fluctuation imaging (SOFI). Here, we propose a complementary concept based on spectral correlation functions, termed spectral fluctuation super-resolution (SFSR) imaging. Through theoretical and computational analysis, we show that spatially resolving time-frequency correlation functions in the image plane can improve the imaging resolution by a factor of $\sqrt2$ in most cases and up to twofold for strictly two emitters. This improvement is achieved by quantifying the degree of correlation in spectral fluctuations across the spatial domain. Experimentally, SFSR can be implemented using a combination of interferometry and photon-correlation measurements. The method works for non-blinking emitters and stochastic spectral fluctuations with arbitrary temporal statistics. This suggests its utility in super-resolution microscopy of quantum emitters at low temperatures, where spectral diffusion is often more pronounced than emitter blinking.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Resolving local structural motifs across the phase evolution of zinc titanates with computational x-ray absorption spectroscopy

Resolving the local structure motifs that characterize phase evolution as a function of composition is a key challenge in structure characterization of complex materials. Here, in this study, we combine first-principles simulations and x-ray absorption near-edge structures (XANES) analysis to gain insights into the structure evolution revealed by measurements across a combinatorial zinc titanate thin film, which was grown with smoothly varying composition over a wide range of the Ti:Zn ratio. Specifically, we propose a cluster blind-signal-separation (cBSS) method for XANES spectral analysis based on a library of the structures and spectra of representative local motifs. In addition to motifs from zinc titanate crystals, two types of Ti-defect models constructed in this study are key to the understanding of the structure characteristics in the Zn-rich region. The cBSS method makes use of both spectral clustering of the simulated site-XANES spectra library and the BSS procedure to construct high-fidelity spectral basis functions from an experimental spectral sequence. The method provides a rigorous measure of the spectral sensitivity and basis completeness. The results of the XANES analysis are corroborated with other experimental modalities, including x-ray diffraction and spectroscopic ellipsometry, to validate the cBSS method. The calculated motif weights resulting from fitting the XANES spectra with the cBSS basis probe the atomic structure characteristics of both crystalline and amorphous phases as a function of the Ti/Zn composition. The insights of the local structure motif evolution are pivotal to the understanding of the nonmonotonic trend in the optical gap, which may lead to potential applications through tuning the optical properties of zinc titanate. The workflow of the XANES spectral analysis developed in this work can be generalized to construct the structure-property relationship in a broad material space.

36 MATERIALS SCIENCE↗