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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

New quantum physics, solving puzzles of Wheeler’s delayed choice and a particle’s passing N slits simultaneously and quantum oscillator in experiments

Abstract This paper discovers new quantum physics, and gives solutions to puzzles of Wheeler’s delayed choice and a particle’s passing many slits simultaneously by exact quantum physics expressions. We further show new quantum control, new quantum oscillation, new quantum control experiments and new quantum oscillator being able to be installed in quantum communication network etc. We discover that the ability of a photon to hit electrons out in photoelectric effect is complementarily equivalent to the ability of wave of a photon to simultaneously pass through many slits in wave-particle duality. Objective criterion for distinguishing classical and quantum particles is found, and this paper gives applicable realm of quantum theories and new quantum physics expressions of wave-particle duality. All these studies above should be classified as classical and quantum particles, then classical particle and quantum particle wave cannot and can pass many slits, respectively. This paper discovers wave-particle duality’s origin of displaying both wave property from plane wave part of the general Fourier expansion and particle property from the general Fourier expansion coefficients with the particle’s global property and spins etc. We give the superposition state representation of wave-particle duality, further find the collapse of the duality superposition state to wave or particle state. The collapsed wave or particle state is related to the measure of wave or particle property. Then, we explain why sometimes it's a wave or a particle. Our achieved results are truly tested, and we discover new measured attractive state and quantum wave collapse velocity expression.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

FLOW Estimation and Rose Superposition (FLOWERS): an integral approach to engineering wake models

Abstract. Annual energy production (AEP) is often the objective function in wind plant layout optimization studies. The conventional method to compute AEP for a wind farm is to first evaluate power production for each discrete wind direction and speed using either computational fluid dynamics simulations or engineering wake models. The AEP is then calculated by weighted-averaging (based on the wind rose at the wind farm site) the power produced across all wind directions and speeds. We propose a novel formulation for time-averaged wake velocity that incorporates an analytical integral of a wake deficit model across every wind direction. This approach computes the average flow field more efficiently, and layout optimization is an obvious application to exploit this benefit. The clear advantage of this new approach is that the layout optimization produces solutions with comparable AEP performance yet is completed 2 orders of magnitude faster. The analytical integral and the use of a Fourier expansion to express the wind speed and wind direction frequency create a relatively smooth solution space for the gradient-based optimizer to excel in comparison to the existing weighted-averaging power calculation.

17 WIND ENERGY↗
DOE OSTI2023

Principal Component Analysis of azimuthal flow in intermediate-energy heavy-ion reactions

Principal Component Analysis (PCA) via Singular Value Decomposition (SVD) of large datasets is an adaptive exploratory method to uncover natural patterns underlying the data. Several recent applications of the PCA-SVD to event-by-event single-particle azimuthal angle distribution matrices in ultra-relativistic heavy-ion collisions at RHIC-LHC energies indicate that the sine and cosine functions chosen a priori in the traditional Fourier analysis are naturally the most optimal basis for azimuthal flow studies according to the data itself. We perform PCA-SVD analyses of mid-central Au+Au collisions at $E$ $beam$ / $A$ =1.23 GeV simulated using an isospin-dependent Boltzmann-Uehling-Uhlenbeck (IBUU) transport model to address the following two questions: (1) if the principal components of the covariance matrix of nucleon azimuthal angle distributions in heavy-ion reactions around 1 GeV/nucleon are naturally sine and/or cosine functions and (2) what if any advantages the PCA-SVD may have over the traditional flow analysis using the Fourier expansion for studying the EOS of dense nuclear matter. In conclusion, we find that (1) in none of our analyses the principal components come out naturally as sine and/or cosine functions, (2) while both the eigenvectors and eigenvalues of the covariance matrix are appreciably EOS dependent, the PCA-SVD has no apparent advantage over the traditional Fourier analysis for studying the EOS of dense nuclear matter using the azimuthal collective flow in heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Azimuthal anisotropy of dijet events in PbPb collisions at $$ \sqrt{s_{\textrm{NN}}} $$ = 5.02 TeV

A bstract The path-length dependent parton energy loss within the dense partonic medium created in lead-lead collisions at a nucleon-nucleon center-of-mass energy of $$ \sqrt{s_{\textrm{NN}}} $$ s NN = 5 . 02 TeV is studied by determining the azimuthal anisotropies for dijets with high transverse momentum. The data were collected by the CMS experiment in 2018 and correspond to an integrated luminosity of 1.69 nb − 1 . For events containing back-to-back jets, correlations in relative azimuthal angle and pseudorapidity ( η ) between jets and hadrons, and between two hadrons, are constructed. The anisotropies are expressed as the Fourier expansion coefficients v n , n = 2–4 of these azimuthal distributions. The dijet v n values are extracted from long-range (1 . 5 < |∆ η | < 2 . 5) components of these correlations, which suppresses the background contributions from jet fragmentation processes. Positive dijet v 2 values are observed which increase from central to more peripheral events, while the v 3 and v 4 values are consistent with zero within experimental uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Adiabatic approximation and Aharonov-Casher bands in twisted homobilayer transition metal dichalcogenides

Topological flat moiré bands with nearly ideal quantum geometry have been identified in homobilayer transition metal dichalcogenide moiré superlattices, and are thought to be crucial for understanding the fractional Chern insulating states recently observed therein. Previous study proposed viewing the system using an adiabatic approximation that replaces the position dependence of the layer spinor with a nonuniform periodic effective magnetic field. When the local zero-point kinetic energy of this magnetic field cancels identically against that of an effective Zeeman energy, a Bloch-band version of Aharonov-Casher zero-energy modes, which we refer to as Aharonov-Casher band, emerges leading to ideal quantum geometry. Here, we critically examine the validity of the adiabatic approximation and identify the parameter regimes under which Aharonov-Casher bands emerge. We show that the adiabatic approximation is accurate for a wide range of parameters including those realized in experiments. Furthermore, we show that while the cancellation leading to the emergence of Aharonov-Casher bands is generally not possible beyond the leading Fourier harmonic, the leading harmonic is the dominant term in the Fourier expansions of the zero-point kinetic energy and Zeeman energy. Finally, the leading harmonic expansion accurately captures the trend of the bandwidth and quantum geometry, although it may fail to quantitatively reproduce more detailed information about the bands such as the Berry curvature distribution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fourier coefficients of noninterdependent collective motions in heavy-ion collisions

Here, we present a scenario in heavy-ion collisions where different modes of collective motions are noninterdependent, driven by factorized actions in the created nuclear medium. Such physics mechanisms could each dominate at a distinct evolution stage, or coexist simultaneously. If the probability of particle emission is modulated by each nondependent collective motion with a single-harmonic Fourier expansion, the particle azimuthal distribution should be the product of all these expansions. Consequently, nonleading cross terms between collectivity modes appear, and their contributions to experimental observables could be significant. In particular, we argue that the chiral magnetic effect (CME) and elliptic flow can develop separately, with their convolution affecting the observable that is sensitive to the shear-induced CME. We will use the event-by-event anomalous-viscous fluid dynamics model to illustrate the effects of this scenario. Besides giving insights into searches for the CME, we also propose feasible experimental tests based on conventional flow harmonics, and demonstrate the emergence of nonleading cross terms with a multiphase transport model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

POLCA8 - modelling of cross section variations inside hexagonal assemblies

This paper presents the POLCA8 approach for modelling non-constant cross section distributions inside hexagonal fuel assemblies. The multigroup diffusion equation is modified to account for intranodal cross section variations. The obtained equation is solved in a node-wise manner based on the Fourier expansion method. As a result of varying cross sections, the solution includes a particular part additionally to the homogeneous one. A method for obtaining the particular solution is derived. Numerical tests on a VVER-1000 core are presented showing the impact of cross-section variations to some key parameters for reactor operation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Stability and Conservation properties of Hermite-based approximations of the Vlasov-Poisson System

Spectral approximation based on Hermite-Fourier expansion of the Vlasov-Poisson model for a collisionless plasma in the electro-static limit is provided by adding high-order artificial collision operators of Lenard-Bernstein type. These differential operators are suitably designed in order to preserve the physically-meaningful invariants (number of particles, momentum, energy). In view of time-discretization, stability results in appropriate norms are presented. In this study, necessary conditions link the magnitude of the artificial collision term, the number of spectral modes of the discretization, as well as the time-step. The analysis, carried out in full for the Hermite discretization of a simple linear problem in one-dimension, is then partly extended to cover the complete nonlinear Vlasov-Poisson model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Zwicky Transient Facility and Globular Clusters: the Period–Luminosity and Period–Luminosity–Color Relations for Late-type Contact Binaries

In this work, we aimed to derive the gri-band period–luminosity (PL) and period–luminosity–color (PLC) relations for late-type contact binaries, for the first time, located in globular clusters, using the homogeneous light curves collected by the Zwicky Transient Factory (ZTF). We started with 79 contact binaries in 15 globular clusters, and retained 30 contact binaries in 10 globular clusters that have adequate numbers of data points in the ZTF light curves and are unaffected by blending. Magnitudes at mean and maximum light of these contact binaries were determined using a fourth-order Fourier expansion, while extinction corrections were done using the Bayerstar2019 3D reddening map together with adopting the homogeneous distances to their host globular clusters. After removing early-type and “anomaly” contact binaries, our derived gri-band PL and period–Wesenheit (PW) relations exhibited a much larger dispersion with large errors on the fitted coefficients. Nevertheless, the gr-band PL and PW relations based on this small sample of contact binaries in globular clusters were consistent with those based on a larger sample of nearby contact binaries. Good agreements of the PL and PW relations suggested both samples of contact binaries in the local Solar neighborhood and in the distant globular clusters can be combined and used to derive and calibrate the PL, PW, and PLC relations. The final derived gr-band PL, PW, and PLC relations were much improved over those based on the limited sample of contact binaries in the globular clusters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Fourier Neural Networks as Function Approximators and Differential Equation Solvers

We present a Fourier neural network (FNN) that can be mapped directly to the Fourier decomposition. The choice of activation and loss function yields results that replicate a Fourier series expansion closely while preserving a straightforward architecture with a single hidden layer. The simplicity of this network architecture facilitates the integration with any other higher-complexity networks, at a data pre- or postprocessing stage. We validate this FNN on naturally periodic smooth functions and on piecewise continuous periodic functions. We showcase the use of this FNN for modeling or solving partial differential equations with periodic boundary conditions. The main advantages of the current approach are the validity of the solution outside the training region, interpretability of the trained model, and simplicity of use.

Fourier decomposition↗
DOE OSTI2023

Quantum algorithm for the linear Vlasov equation with collisions

The Vlasov equation is a nonlinear partial differential equation that provides a first-principles description of the dynamics of plasmas. Its linear limit is routinely used in plasma physics to investigate plasma oscillations and stability. In this paper, we present a quantum algorithm that simulates the linearized Vlasov equation with and without collisions, in the one-dimensional electrostatic limit. Rather than solving this equation in its native spatial and velocity phase space, we adopt an efficient representation in the dual space yielded by a Fourier-Hermite expansion. For a given simulation time, the Fourier-Hermite representation is exponentially more compact, thus yielding a classical algorithm that can match the performance of a previously proposed quantum algorithm for this problem. Further, this representation results in a system of linear ordinary differential equations (ODEs) which can be solved with well-developed quantum algorithms: a Hamiltonian simulation in the collisionless case, and quantum ODE solvers in the collisional case. In particular, we demonstrate that a quadratic speedup in system size is attainable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Toward extracting $$\gamma $$ from $$B\rightarrow DK$$ without binning

Abstract $$B^\pm \rightarrow DK^\pm $$ B ± → D K ± transitions are known to provide theoretically clean information about the CKM angle $$\gamma $$ γ , with the most precise available methods exploiting the cascade decay of the neutral D into CP self-conjugate states. Such analyses currently require binning in the D decay Dalitz plot, while a recently proposed method replaces this binning with the truncation of a Fourier series expansion. In this paper, we present a proof of principle of a novel alternative to these two methods, in which no approximations at the level of the data representation are required. In particular, our new strategy makes no assumptions about the amplitude and strong phase variation over the Dalitz plot. This comes at the cost of a degree of ambiguity in the choice of test statistic quantifying the compatibility of the data with a given value of $$\gamma $$ γ , with improved choices of test statistic yielding higher sensitivity. While our current proof-of-principle implementation does not demonstrate optimal sensitivity to $$\gamma $$ γ , its conceptually novel approach opens the door to new strategies for $$\gamma $$ γ extraction. More studies are required to see if these can be competitive with the existing methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Ultrasonic waves from radial mode excitation of a piezoelectric disc on the surface of an elastic solid

In this work, we discuss the ultrasonic wave propagation characteristics in an isotropic elastic solid due to the radial mode excitation of a piezoelectric disc actuator bonded to its surface. Finite element simulations using coupled electromechanical modeling is employed to investigate the wave propagation behavior. We find that the radial mode vibrations on the surface of the elastic solid generates all the three types of ultrasonic waves: longitudinal, shear, and surface waves. The waves in the solid are comprised of a central lobe and multiple side lobes based on the frequency of the radial mode excitation. The central lobe is predominantly composed of longitudinal waves and the side lobes are composed of shear waves. While the longitudinal waves have a strong central lobe and weak side lobes that are not fully developed, shear waves consists of fully developed side lobes. In addition, we observe that the longitudinal waves have fewer side lobes inside the solid compared to the shear waves. A semi-analytical approach is presented to explain the above observations. The interface traction boundary condition between the piezoelectric disc and the elastic solid is approximated as a truncated 'Bessel' excitation over the area of the piezoelectric disc in contact with the solid. A Fourier–Bessel series expansion technique is used to investigate the wave propagation behavior from the above traction boundary condition. The results obtained explain the observations from the finite element simulations with regard to the number and distribution of side lobes pertaining to the longitudinal and shear waves generated from the radial modes of the piezoelectric disc. The proposed semi-analytical approach is general and can be applied to any arbitrary axisymmetric excitations on the surface of an elastic solid.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Novel Approach to Simulate Realistic Concrete Microstructures under Irradiation

The concrete biological shield of light water reactors is exposed to high neutron and gamma irradiation doses in the long term. Irradiation deteriorates the physical and mechanical properties of concrete. Such effects need to be investigated to predict the concrete’s performance in the event of a lifetime extension of a nuclear power plant. This work combines high-resolution characterization techniques with fast-Fourier transform (FFT)-based 2-D simulations to evaluate the radiation-induced volumetric expansion (RIVE) and damage in concrete microstructures under neutron irradiation. Two concrete microstructures from samples provided by the Japan Concrete Aging Management Program (JCAMP) were characterized using micro x-ray fluorescence (mXRF) to obtain elemental intensity maps, and energy-dispersive x-ray spectroscopy to complement mXRF with local elemental information for Na. Minerals and cement paste are then identified based on the elemental composition to produce high-resolution phase maps, resulting in a more accurate representation of the microstructures compared to previous work. Simulations of radiation-induced volumetric expansion (RIVE), creep, and damage in JCAMP concrete use the fast Fourier transform (FFT)-based code Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) combined with the irradiated minerals, aggregates, and concrete (IMAC) database, which contains mineral-specific RIVE models. Overall, the simulation results are in fair agreement with experimental data.

Cheniour, Amani↗
DOE OSTI2024

Trace anomaly form factors from lattice QCD

The hadron mass can be obtained through the calculation of the trace of the energy-momentum tensor in the hadron which includes the trace anomaly and sigma terms. The anomaly due to conformal symmetry breaking is believed to be an important ingredient for hadron mass generation and confinement. In this work, we will present the calculation of the glue part of the trace anomaly form factors of the pion up to Q 2 ∼ 4.3 GeV 2 and the nucleon up to Q 2 ∼ 1 GeV 2 . The calculations are performed on a domain wall fermion ensemble with overlap valence quarks at seven valence pion masses varying from ∼ 250 to ∼ 540 MeV , including the unitary point ∼ 340 MeV . We calculate the radius of the glue trace anomaly for the pion and the nucleon from the z expansion. By performing a two-dimensional Fourier transform on the glue trace anomaly form factors in the infinite momentum frame with no energy transfer, we also obtain their spatial distributions for several valence quark masses. The results are qualitatively extrapolated to the physical valence pion mass with systematic errors from the unphysical sea quark mass, discretization effects in the renormalization sum rule, and finite-volume effects to be addressed in the future. We find the pion’s form factor changes sign, as does its spatial distribution, for light quark masses. This explains how the trace anomaly contribution to the pion mass approaches zero toward the chiral limit. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

FFT-based model for irradiated aggregate microstructures in concrete

The concrete biological shield of light water reactors is exposed to neutron and gamma irradiation throughout its lifetime, which results in the long-term degradation of the concrete’s mechanical properties. Under neutron irradiation, the concrete’s aggregates are subjected to radiation-induced volumetric expansion (RIVE), which strongly depends on the mineral content of the aggregate and exhibits the largest expansion in silicate-bearing minerals. In this work, the authors used the fast Fourier transform-based code Microstructure-Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) in 2D to model the expansion of five different aggregates provided by the Japan Concrete Aging Management Program (JCAMP). Comparable rock specimens were irradiated at the JEEP-II test reactor. The model uses realistic aggregate microstructure reconstruction based on high-resolution characterization images. The model accounts for anisotropic RIVE, thermal expansion, and the associated initiation and propagation of damage. The RIVE models are calibrated based on expansion data in the literature. The authors assume that damage occurs exclusively at interfaces between the particles that compose an aggregate and that these interfaces also exhibit swelling. Using a micromechanical model, the evolution of Young’s modulus with RIVE is calculated for each aggregate and compared with Russian irradiation data. The modeled linear expansion agrees well with the experimentally measured expansion. Furthermore, the model also predicts that anisotropic RIVE and thermal expansion result in an earlier onset of damage with neutron fluence than in the isotropic case.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman–Ohno Function

A novel formulation is presented for the treatment of electrostatics in the periodic GFN1-xTB tight-binding model. Periodic GFN1-xTB is hindered by the functional form of the second-order electrostatics, which only recovers Coulombic behavior at large interatomic distances and lacks a closed-form solution for its Fourier transform. We address this by introducing a binomial expansion of the Klopman–Ohno function to partition short- and long-range interactions, enabling the use of a generalized Ewald summation for the solution of the electrostatic energy. This approach is general and is applicable to any damped potential of the form |R n + c| –m . Benchmarks on the X23 molecular crystal dataset and a range of prototypical bulk semiconductors demonstrate that this systematic treatment of the electrostatics eliminates unphysical behavior in the equation of state curves. In the bulk systems studied, we observe a mean absolute error in total energy of 35 meV/atom, comparable to the machine-learned universal force field, M3GNet, and sufficiently precise for structure relaxation. These results highlight the promising potential of GFN1-xTB as a universal tight-binding parametrization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Crystal structure solution and high-temperature thermal expansion in NaZr 2 (PO 4 ) 3 -type materials

The NaZr 2 P 3 O 12 family of materials have shown low and tailorable thermal expansion properties. In this study, SrZr 4 P 6 O 24 (SrO·4ZrO 2 ·3P 2 O 5 ), CaZr 4 P 6 O 24 (CaO·4ZrO 2 ·3P 2 O 5 ), MgZr 4 P 6 O 24 (MgO·4ZrO 2 ·3P 2 O 5 ), NaTi 2 P 3 O 12 [½(Na 2 O·4TiO 2 ·3P 2 O 5 )], NaZr 2 P 3 O 12 [½(Na 2 O·4ZrO 2 ·3P 2 O 5 )], and related solid solutions were synthesized using the organic–inorganic steric entrapment method. The samples were characterized by in-situ high-temperature X-ray diffraction from 25 to 1500°C at the Advanced Photon Source and National Synchrotron Light Source II. The average linear thermal expansion of SrZr 4 P 6 O 24 and CaZr 4 P 6 O 24 was between −1 × 10 −6 per °C and 6 × 10 −6 per °C from 25 to 1500°C. The crystal structures of the high-temperature polymorphs of CaZr 4 P 6 O 24 and SrZr 4 P 6 O 24 with R 3 c symmetry were solved by Fourier difference mapping and Rietveld refinement. This polymorph is present above ∼1250°C. This work measured thermal expansion coefficients to 1500°C for all samples and investigated the differences in thermal expansion mechanisms between polymorphs and between compositions.

36 MATERIALS SCIENCE↗