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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Charge self-consistent density functional theory plus ghost rotationally invariant slave-boson theory for correlated materials

We present a charge self-consistent density functional theory combined with the ghost rotationally invariant slave-boson (DFT+gRISB) formalism for studying correlated materials. Here, this method is applied to SrVO 3 and NiO, representing prototypical correlated metals and charge-transfer insulators. For SrVO 3 , we demonstrate that DFT+gRISB yields an accurate equilibrium volume and effective mass close to experimentally observed values. Regarding NiO, DFT+gRISB enables the simultaneous description of charge-transfer and Mott-Hubbard bands, significantly enhancing the accuracy of the original DFT+RISB approach. Furthermore, the calculated equilibrium volume and spectral function reasonably agree with experimental observations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Quasiparticle self-consistent G W calculations of the electronic band structure of bulk and monolayer V 2 O 5

Quasiparticle self-consistent (QS) GW calculations are performed for bulk and monolayer V 2 O 5 . The orbital character of the bands and the bulk monolayer difference at the LDA level are discussed first. We discover that the QSGW self-energy overestimates the gap by an unusually large amount. The main reason for this is identified to be the lattice polarization effect: The large LO-TO splittings in this polar material enhance the screening and reduce the screened Coulomb interaction affecting the gap. Moreover, the effect is estimated to reduce the screened Coulomb interaction and hence the self-energy by a factor 0.38 (for bulk) and brings the calculated optical response functions in fairly good agreement with experiment. For monolayer V 2 O 5 we find that the QSGW gap varies as 1/L with L the size of the spacing between the monolayers in a supercell. This results from the long-range nature of the self-energy Σ=iGW and the similar 1/L behavior of the dielectric screening.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Dielectric function and plasmons in graphene: A self-consistent-field calculation within a Markovian master equation formalism

We introduce a method for calculating the dielectric function of nanostructures with an arbitrary band dispersion and Bloch wave functions. The linear response of a dissipative electronic system to an external electromagnetic field is calculated by a self-consistent-field approach within a Markovian master equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations. The SCF-MMEF accurately accounts for several concurrent scattering mechanisms. The method captures interband electron-hole-pair generation, as well as the interband and intraband electron scattering with phonons and impurities. We employ the SCF-MMEF to calculate the dielectric function, complex conductivity, and loss function for supported graphene. From the loss-function maximum, we obtain plasmon dispersion and propagation length for different substrate types [nonpolar diamondlike carbon (DLC) and polar SiO 2 and hBN], impurity densities, carrier densities, and temperatures. Plasmons on the two polar substrates are suppressed below the highest surface phonon energy, while the spectrum is broad on the nonpolar DLC. Plasmon propagation lengths are comparable on polar and nonpolar substrates and are on the order of tens of nanometers, considerably shorter than previously reported. As a result, they improve with fewer impurities, at lower temperatures, and at higher carrier densities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Highly deformed bands in Nd nuclei: New results and consistent interpretation within the cranked Nilsson-Strutinsky formalism

Three new highly-deformed (HD) bands are identified in 136 Nd and the highly deformed band of 137 Nd is extended at higher spin by four transitions, revealing a band crossing associated with the occupation of the second $νi_{13/2}$ intruder orbital. Extended cranked Nilsson-Strutinsky calculations are performed for all HD bands observed in 134 Nd, 136 Nd, and 137 Nd, achieving for the first time a consistent interpretation of all HD bands in the Nd nuclei. The new interpretation has significant consequences, like the change of parity of the yrast HD bands of 134 Nd and 136 Nd, and the involvement of two negative-parity neutron intruder orbitals in the configurations of most HD bands. The present experimental results and their theoretical interpretation represent an important step forward in the understanding of the second-minimum excitations in the Nd nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Consistency of $^{16}O(n,α)$ cross sections

The evaluated $^{16}O(n,α)$ cross sections in the ENDF/B-VIII.0 nuclear data library remain uncertain because of systematic discrepancies in the measured data. In the energy region below the first excited state, R-matrix analyses rely heavily on the inverse reaction, and in particular, they rely on the measured $^{13}C(α,n)^{16}O$ cross sections reported by Bair et al. in 1973 and Harissopulos et al. in 2005. The Harissopulos cross section values are systematically lower than those previously reported by Bair. Here, drawing on the available experimental information, this paper briefly describes and demonstrates that the two sets of measured cross sections are consistent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Nuclear structure and elastic scattering observables obtained consistently with different N N interactions

Nucleon-nucleon ($NN$) interactions based on chiral effective theories are commonly used in ab initio calculations of light nuclei. Here we present a study based on three different $NN$ interactions (up to next-to-next-to-leading order) for which structure and elastic proton scattering observables are consistently calculated for $^4$He, $^{12}$C, and $^{16}$O. The interactions are compared at the two-body level in terms of Wolfenstein amplitudes, and their predictions for ground state energies, point-proton radii, and charge form factors, as well as proton elastic scattering observables in the leading-order spectator expansion in the energy range between 65 and 160 MeV projectile energy are presented. Finally, to gain further insight into differences visible in elastic scattering observables, we investigate the behavior of the calculated effective nucleon-nucleus interactions for the $^{12}$C nucleus based on the different $NN$ interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Coupling between collective modes in the deformed 98 Zr nucleus: Insights from consistent HFB + QRPA calculations with the Gogny interaction

The zirconium isotopes exhibit structural properties that present multiple challenges to nuclear theory. Investigations of the coupling present within isoscalar modes and within isovector modes are scarce but important for advancing our understanding of the microscopic picture of nuclei. To explore some of these underlying coupling features, and to test the predictive power of a state-of-the-art nuclear structure approach, we provide a detailed analysis of the properties of 90,96,98 Zr . This region includes a benchmarking case and offers insights into nuclear deformation phenomena. Here, to investigate the coupling between collective modes in deformed nuclei, we focused our analysis on the ground and excited-state properties of these isotopes, employing a consistent approach with the axially symmetric deformed Hartree-Fock-Bogoliubov (HFB) and the quasiparticle random phase approximation (QRPA) framework, both using the Gogny D1M force. This approach effectively describes both low-lying and giant-resonance states. We devoted special attention to the deformed 98 Zr nucleus, where we confirm the existence of coupling between monopole and quadrupole excitations through the 𝐾 𝜋 = 0 + QRPA components and demonstrate an analogous dipole-octupole coupling through the 𝐾 𝜋 = 0 − and 𝐾 𝜋 = 1 − components. Intrinsic transition densities and associated radial projections illustrate the coupling. Our work complements and extends earlier studies carried out using density-functional-based methods and notably, we included the complete Coulomb interaction also in the pairing fields, i.e., we treat terms exactly that are approximated in typical calculations that use the Gogny D1 and D2 interaction families.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Self-consistent continuum random-phase approximation calculations of {sup 4}He electromagnetic responses

We study the electromagnetic responses of {sup 4}He within the framework of the self-consistent continuum random-phase approximation theory. In this approach, the ground-state properties are described by a Hartree-Fock calculation. The single-particle basis constructed in this manner is used in the calculations of the continuum responses of the system. Finite-range interactions are considered in the calculations. We compare our results with photon-absorption cross sections and electron-scattering quasielastic data. From this comparison, and also from the comparison with the results of microscopic calculations, we deduce that our approach describes well the continuum excitation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Spontaneous fission lifetimes from the minimization of self-consistent collective action

The spontaneous fission lifetime of 264 Fm has been studied within nuclear density functional theory by minimizing the collective action integral for fission in a two-dimensional quadrupole collective space representing elongation and triaxiality. The collective potential and inertia tensor are obtained self-consistently using the Skyrme energy density functional and density-dependent pairing interaction. The resulting spontaneous fission lifetimes are compared with the static result obtained with the minimum-energy pathway. We show that fission pathways strongly depend on assumptions underlying collective inertia. With the nonperturbative mass parameters, the dynamic fission pathway becomes strongly triaxial and it approaches the static fission valley. On the other hand, when the standard perturbative cranking inertia tensor is used, axial symmetry is restored along the path to fission; an effect that is an artifact of the approximation used.

Physics↗
DOE OSTI2023

Inference finds consistency between a neutrino flavor evolution model and Earth-based solar neutrino measurements

We continue examining statistical data assimilation (SDA), an inference methodology, to infer solutions to neutrino flavor evolution, for the first time using real - rather than simulated - data. The model represents neutrinos streaming from the Sun's center and undergoing a Mikheyev-Smirnov-Wolfenstein (MSW) resonance in flavor space, due to the radially-varying electron number density. The model neutrino energies are chosen to correspond to experimental bins in the Sudbury Neutrino Observatory (SNO) and Borexino experiments, which measure electron-flavor survival probability at Earth. In conclusion, the procedure successfully finds consistency between the observed fluxes and the model, if the MSW resonance - that is, flavor evolution due to solar electrons - is included in the dynamical equations representing the model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Consistency of the pion form factor and unpolarized transverse momentum dependent parton distributions beyond leading twist in the light-front quark model

We investigate the interplay among the pion’s form factor, transverse momentum dependent distributions (TMDs), and parton distribution functions (PDFs) extending our light-front quark model (LFQM) computation based on the Bakamjian-Thomas construction for the two-point function [1,2] to the three-point and four-point functions. Ensuring the four-momentum conservation at the meson-quark vertex from the Bakamjian-Thomas construction, the meson mass is taken consistently as the corresponding invariant meson mass both in the matrix element and the Lorentz factor in our LFQM computation. We achieve the current-component independence in the physical observables such as the pion form factor and delve into the derivation of unpolarized TMDs and PDFs associated with the forward matrix element. We address the challenges posed by twist-4 TMDs and exhibit the fulfillment of the sum rule. Effectively, our LFQM successfully handles the light-front zero modes and offers insights for broader three-point and four-point functions and related observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Consistent electroweak phenomenology of a nearly degenerate Z ′ boson

Extracting constraints on the kinetic mixing of a new U ( 1 ) ′ gauge boson hiding under the Standard Model Z boson resonance requires the formalism of non-Hermitian two-point correlation functions at 1-loop order. We derive self-consistent collider constraints on Z ′ bosons with kinetic mixing in a narrow mass window around the Z boson, considering both model-independent and model-dependent bounds. Our treatment elucidates the importance of both avoided level crossing and the dispersive seesaw effect in interpreting the existing constraints. We also discuss the implications for future measurements on the Z -pole. Published by the American Physical Society 2025

Lo Chiatto, Prisco (ORCID:000000024177557X)↗
DOE OSTI2017

Simplified models for dark matter face their consistent completions

Simplified dark matter models have been recently advocated as a powerful tool to exploit the complementarity between dark matter direct detection, indirect detection and LHC experimental probes. Focusing on pseudoscalar mediators between the dark and visible sectors, we show that the simplified dark matter model phenomenology departs significantly from that of consistent ${SU(2)_{\mathrm{L}} \times U(1)_{\mathrm{Y}}}$ gauge invariant completions. We discuss the key physics simplified models fail to capture, and its impact on LHC searches. Furthermore, we show that resonant mono-Z searches provide competitive sensitivities to standard mono-jet analyses at $13$ TeV LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Machine learning of consistent thermodynamic models using automatic differentiation

In this study, we propose a data-driven method to describe consistent equations of state (EOS) for arbitrary systems. Complex EOS are traditionally obtained by fitting suitable analytical expressions to thermophysical data. A key aspect of EOS is that the relationships between state variables are given by derivatives of the system free energy. In this work, we model the free energy with an artificial neural network and utilize automatic differentiation to directly learn the derivatives of the free energy. We demonstrate this approach on two different systems, the analytic van der Waals EOS and published data for the Lennard-Jones fluid, and we show that it is advantageous over direct learning of thermodynamic properties (i.e., not as derivatives of the free energy but as independent properties), in terms of both accuracy and the exact preservation of the Maxwell relations. Furthermore, the method implicitly provides the free energy of a system without explicit integration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Two regimes of self-consistent heating of charged particles

An experimental illustration of the transition between two basic transport regimes for wave-particle interaction is reported. A striking feature is that chaos, although present in both regimes, does not need to be invoked to explain the observed behavior. This experimental realization for a theoretical paradigm opens the possibility to check the validity of basic models, as is normally required in physics. Indeed, among seemingly simple problems exhibiting complex behavior is the classical interaction of an electron with electrostatic waves. Launching a low-intensity electron beam in a Traveling Wave Tube (TWT) recently allowed observing the real-world consequences of the richness of the electron trajectory. Here we show that self-consistent effects are nevertheless acting on a modulated test electron beam through the collective excitation of beam modes. The transition between two different particle transport regimes (stochastic diffusion in a set of waves and slow chaos associated to a pulsating separatrix) is directly measured by increasing the amplitude of the excitation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Lagrangian and Eulerian drag models that are consistent between Euler-Lagrange and Euler-Euler (two-fluid) approaches for homogeneous systems

The undisturbed flow of a particle is of fundamental importance since it controls both the undisturbed flow force and the perturbation force (which includes quasisteady, added-mass, and history forces). Here we use the pairwise interaction extended point particle framework to evaluate the undisturbed flow of each particle through superposition of the perturbation flow induced by all its neighbors. This approach allows calculation of various statistics related to undisturbed fluid velocity under conditions of both stationary and nonstationary particles. In a random distribution of stationary particles, while the macroscale undisturbed flow is slowly varying, the microscale undisturbed flow that arises due to the perturbation flow of neighbors varies substantially from one particle to another and this in turn leads to large variation in the hydrodynamic force exerted on the particles. The effect of particle motion is generally to increase the particle-to-particle variation in the undisturbed fluid velocity of the particles. We observe that this increase is greater for the transverse component than for the streamwise component. As a result, with increasing random particle motion, the distribution of undisturbed fluid-velocity fluctuation becomes isotropic. Three different normalized forces are defined: $Φ^L$ is the Lagrangian normalized force on an individual particle suitable for application in a microscale-informed Euler-Lagrange simulation, $Φ^E$ is the Eulerian normalized average force suitable for application in an Euler-Euler simulation, and $Φ^{LE}$ is the Lagrangian normalized force on an individual particle suitable for application in the standard Euler-Lagrange simulation. In this work, we establish precise relations between these different definitions. The drag laws developed based on particle-resolved direct numerical simulation results and experiments are appropriate for application only as the Eulerian normalized average force. We introduce the force consistency relation and use it to obtain an expression for $Φ^L$, which when applied to each particle and averaged over all the particles equals $Φ^E$. The results are first obtained in the limit of stationary particles and then extended to the general case of nonstationary particles.

42 ENGINEERING↗
DOE OSTI2015

Self-Consistent Simulation of Transport and Energy Deposition of Intense Laser-Accelerated Proton Beams in Solid-Density Matter

Here, the first self-consistent hybrid particle-in-cell (PIC) simulation of intense proton beam transport and energy deposition in solid-density matter is presented. Both the individual proton slowing-down and the collective beam-plasma interaction effects are taken into account with a new dynamic proton stopping power module that has been added to a hybrid PIC code. In this module, the target local stopping power can be updated at each time step based on its thermodynamic state. For intense proton beams, the reduction of target stopping power from the cold condition due to continuous proton heating eventually leads to broadening of the particle range and energy deposition far beyond the Bragg peak. For tightly focused beams, large magnetic field growth in collective interactions results in self-focusing of the beam and much stronger localized heating of the target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Observation of J / ψ ϕ Structures Consistent with Exotic States from Amplitude Analysis of B + → J / ψ ϕ K + Decays

The first full amplitude analysis of B + → J/ψϕK + with J/ψ → μ + μ - , ϕ → K + K - decays is performed with a data sample of 3 fb -1 of pp collision data collected at $\sqrt{s}$ =7 and 8 TeV with the LHCb detector. The data cannot be described by a model that contains only excited kaon states decaying into ϕK + , and four J/ψϕ structures are observed, each with significance over 5 standard deviations. The quantum numbers of these structures are determined with significance of at least 4 standard deviations. The lightest has mass consistent with, but width much larger than, previous measurements of the claimed X(4140) state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗