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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A method to test the coupling strength of the linear and nonlinear contributions to higher-order flow harmonics via event shape engineering

A Multi-Phase Transport (AMPT) model is used to study the efficacy of shape-engineered events to delineate the degree of coupling between the linear and nonlinear contributions to the higher-order flow harmonics v 4 and v 5 . Here, the study shows that the nonlinear contributions are strongly shape-dependent while the linear contributions are shape-independent, indicating little if any, coupling between the linear and nonlinear flow coefficients. The experimental verification of such patterns could be an invaluable tool for robust extraction of the linear and mode-coupled flow coefficients, especially for beam energies where the charged particle multiplicity and the event statistics precludes the use of current methods to establish the coupling strength.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Strain coupling of oxygen non-stoichiometry in perovskite thin films

The effects of strain and oxygen vacancies on perovskite thin films have been studied in great detail over the past decades and have been treated separately from each other. While epitaxial strain has been realized as a tuning knob to tailor the functional properties of correlated oxides, oxygen vacancies are usually regarded as undesirable and detrimental. In transition metal oxides, oxygen defects strongly modify the properties and functionalities via changes in oxidation states of the transition metals. However, such coupling is not well understood in epitaxial films, but rather deemed as cumbersome or experimental artifact. Only recently it has been recognized that lattice strain and oxygen non-stoichiometry are strongly correlated in a vast number of perovskite systems and that this coupling can be beneficial for information and energy technologies. Recent experimental and theoretical studies have focused on understanding the correlated phenomena between strain and oxygen vacancies for a wide range of perovskite systems. These correlations not only include the direct relationship between elastic strain and the formation energy of oxygen vacancies, but also comprise highly complex interactions such as strain-induced phase transitions due to oxygen vacancy ordering. Therefore, we aim in this review to give a comprehensive overview on the coupling between strain and oxygen vacancies in perovskite oxides and point out the potential applications of the emergent functionalities strongly coupled to oxygen vacancies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Tunable phase-change metasurfaces coupled with mid-infrared molecular vibrations

Chiral optical metasurfaces have emerged as a promising platform in coupling with molecular vibrational fingerprints through the enhanced light-matter interaction under different circularly polarized light illumination. Here, this work reports the mode coupling between the mid-infrared phonon vibrations of polymethyl methacrylate (PMMA) molecules and the thermally tunable chiral metasurfaces based on the phase-change material Ge₂Sb₂Te₅ (GST-225). Phase-change chiral metasurfaces with high circular dichroism (CD) in absorption and tunable plasmonic resonance in the frequency range of 48–56 THz are demonstrated, which covers the phonon vibrational frequency of PMMA molecules at 52 THz. The mode splitting features are observed in the absorption and CD spectra when the metasurface resonance is tuned across the phonon vibrational frequency of PMMA molecules during the phase transition of GST-225. The underlying mechanism of molecule-metasurface coupling is further revealed by studying the electric field and power loss density distributions of the phonon–plasmon coupled modes under both left-handed and right-handed circularly polarized (LCP and RCP) light. The demonstrated results show the potential of dynamically tunable chiral metasurfaces for the applications in label-free molecular sensing, biomedical diagnostics, thermal imaging, and mid-infrared photonics.

Tang, Haotian [Missouri Univ. of Science and Techn↗
DOE OSTI2021

Synergy of coupled kink and tearing modes in fast ion transport

One aspect of the interaction between fast ions and magnetohydrodynamic (MHD) instabilities is the fast ion transport. Coupled kink and tearing MHD instabilities have also been reported to cause fast ion transport. Recently, the 'kick' model has been developed to compute the evolution of the fast ion distribution from neutral beam injection using instabilities as phase-space resonance sources. Overall, the goal of this paper is to utilize the kick model to understand the physics of fast ion transport caused by the coupled kink and tearing modes. Soft x-ray diagnostics are used to identify the mode parameters in the National Spherical Torus Experiment. The comparison of neutron rates measured and computed from time-dependent TRANSP simulation with the kick model shows that the coupling of kink and tearing mode is important in determination of the fast ion transport. The numerical scan of the mode parameters shows that the relative phase of the kink and tearing modes and the overlapping of kink and tearing mode resonances in the phase space can affect the fast ion transport, suggesting that the synergy of the coupled modes may be causing the fast ion transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Disformal couplings and the dark sector of the universe

Interactions between dark matter and dark energy, allowing both conformal and and disformal couplings, are studied in detail. We discuss the background evolution, anisotropies in the cosmic microwave background and large scale structures. One of our main findings is that a large conformal coupling is not necessarily disallowed in the presence of a general disformal term. On the other hand, we find that negative disformal couplings very often lead to instabilities in the scalar field. Studying the background evolution and linear perturbations only, our results show that it is observationally challenging to disentangle disformal from purely conformal couplings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Dynamics of non-minimally coupled perfect fluids

We present a general formulation of the theory for a non-minimally coupled perfect fluid in which both conformal and disformal couplings are present. We discuss how such non-minimal coupling is compatible with the assumptions of a perfect fluid and derive both the Einstein and the fluid equations for such model. We found that, while the Euler equation is significantly modified with the introduction of an extra force related to the local gradients of the curvature, the continuity equation is unaltered, thus allowing for the definition of conserved quantities along the fluid flow. As an application to cosmology and astrophysics we compute the effects of the non-minimal coupling on a Friedmann-Lemaȋtre-Robertson-Walker metric at both background and linear perturbation level and on the Newtonian limit of our theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Disformally coupled inflation

A disformal coupling between two scalar fields is considered in the context of cosmological inflation. The coupling introduces novel derivative interactions mixing the kinetic terms of the fields but without introducing superluminal or unstable propagation of the two scalar fluctuation modes. Though the typical effect of the disformal coupling is to inhibit one of the fields from inflating the universe, the energy density of the other field can drive viable near Sitter -inflation in the presence of nontrivial disformal dynamics, in particular when one assumes exponential instead of power-law form for the couplings. The linear perturbation equations are written for the two-field system, its canonical degrees of freedom are quantised, their spectra are derived and the inflationary predictions are reported for numerically solved exponential models. A generic prediction is low tensor-to-scalar ratio.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cosmological implications of axion-matter couplings

Axions and other light particles appear ubiquitously in physics beyond the Standard Model, with a variety of possible couplings to ordinary matter. Cosmology offers a unique probe of these particles as they can thermalize in the hot environment of the early universe for any such coupling. For sub-MeV particles, their entropy must leave a measurable cosmological signal, usually via the effective number of relativistic particles, N eff . Here, in this paper, we will revisit the cosmological constraints on the couplings of axions and other pseudo-Nambu-Goldstone bosons to Standard Model fermions from thermalization below the electroweak scale, where these couplings are marginal and give contributions to the radiation density of ΔN eff > 0.027. We update the calculation of the production rates to eliminate unnecessary approximations and find that the cosmological bounds on these interactions are complementary to astrophysical constraints, e.g. from supernova SN 1987A. We additionally provide quantitative explanations for these bounds and their relationship.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Gauge theories on spheres with 16 supercharges and non-constant couplings

We construct a class of theories with 16 supersymmetries on spheres of dimension nine and less. The gauge coupling and mass terms for the scalar fields depend on the polar angle away from the north pole. Assuming finite coupling on the north pole, this leads to zero coupling at the south pole for d > 4 and infinite coupling at the south pole for d < 4. The underlying supersymmetry algebra of these theories is shown to be isomorphic to the Poincaré superalgebra in d-dimensions. We also give a localization procedure which leads to nontrivial results for d = 2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Designing strong and tunable magnetoelectric coupling in 2D trilayer heterostructures

Abstract The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling and efficient electric-field control. Here we report a theoretical prediction that such phenomena can be realized in two-dimensional (2D) bilayer FE/PMM and trilayer FE/PMM/FE heterostructures (two-terminal and three-terminal devices), where FE is a 2D ferroelectric and PMM is a polar magnetic metal with strong spin–orbit coupling. Such a PMM has strong Dzyaloshinskii-Moriya interactions (DMI) that can generate skyrmions, while the FE can generate strong magnetoelectric coupling through polarization-polarization interactions. In trilayer heterostructures, contact to the metallic PMM layer enables multiple polarization configurations for electric-field control of skyrmions. We report density-functional-theory calculations for particular material choices that demonstrate the effectiveness of these arrangements, with the key driver being the polarization-polarization interactions between the PMM and FE layers. The present findings provide a method to achieve strong magnetoelectric coupling in the 2D limit and a new perspective for the design of related spintronics.

Materials Science↗
DOE OSTI2024

Structural mode coupling in perovskite oxides using hypothesis-driven active learning

Abstract Finding the ground-state structure with minimum energy is paramount to designing any material. In ABO 3 -type perovskite oxides with Pnma symmetry, the lowest energy phase is driven by an inherent trilinear coupling between the two primary order parameters such as rotation and tilt with antiferroelectric displacement of the A-site cations as established via hybrid improper ferroelectric mechanism. Conventionally, finding the relevant mode coupling driving phase transition requires performing first-principles calculations which is computationally time-consuming as well as expensive. It involves following an intuitive iterative hit and trial method of (a) adding two or multiple mode vectors, followed by (b) evaluating which combination would lead to the ground-state energy. In this study, we show how a hypothesis-driven active learning framework can identify suitable mode couplings within the Landau free energy expansion with minimal information on amplitudes of modes for a series of double perovskite oxides with A-site layered, columnar and rocksalt ordering. This scheme is expected to be applicable universally for understanding atomistic mechanisms derived from various structural mode couplings behind functionalities, for e.g. polarization, magnetization and metal–insulator transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Strong long-wavelength electron-phonon coupling in Ta 2 ⁢Ni⁡(Se,S) 5

The search for intrinsic excitonic insulators (EI) has long been confounded by coexisting electron–phonon coupling in bulk materials. Although the ground state of an EI may be difficult to differentiate from density-wave orders or other structural instabilities, excited states offer distinctive signatures. One way to provide clarity is to directly inspect the phonon spectral function for long wavelength broadening caused by phonon interaction with the high velocity EI phason. Here, in this study, we report that the quasi-one-dimensional (quasi-1D) EI candidate Ta 2 NiSe 5 shows extremely anisotropic phonon broadening and softening in the semimetallic normal state. In contrast, such behavior is completely absent in the broken symmetry state of Ta 2 NiSe 5 and in the isostructural Ta 2 NiS 5 , where the latter has a fully gapped normal state. By contrasting the expected phonon lifetimes in the BCS and BEC limits of a putative EI, our results suggest that the phase transition in Ta 2 Ni(Se,S) 5 family is closely related to strong interband electron–phonon coupling. We experimentally determine the dimensionless coupling $\frac{g}{ω_0}$ ∼ 10, revealing Ta 2 Ni(Se,S) 5 as a rare “ultrastrong coupling” material.

Kang, Zhibo [Yale University, New Haven, CT (Unite↗
DOE OSTI2026

Theory of ab initio downfolding with arbitrary-range electron-phonon coupling

Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and two-electron interactions, and the parametrization of a many-body Hamiltonian representing the active space of interest. The subsequent solution of such Hamiltonians can provide insights into the physics of strongly correlated materials. While phonons can substantially screen electron-electron interactions, electron-phonon coupling has been commonly ignored within ab initio downfolding, and when considered, this is done only for short-range coupling. Here we propose a theory of ab initio downfolding that accounts for short- and long-range electron-phonon coupling on equal footing. Our practical computational implementation is readily compatible with current downfolding approaches. We apply our approach to polar materials MgO and GeTe, and we reveal the importance of both short-range and long-range electron-phonon coupling in determining the magnitude of electron-electron interactions. Our results show that in the static limit, phonons reduce the on-site repulsion between electrons by 40% for MgO and by 79% for GeTe. Our framework also predicts that overall attractive nearest-neighbor interactions arise between electrons in GeTe, consistent with superconductivity in this material.

Tubman, Norm M↗
DOE OSTI2025

Exact statistics of helical wormlike chains with twist-bend coupling

Here, we present a solution for the Green's function for the general case of a helical wormlike chain with twist-bend coupling and demonstrate the applicability of our solution for evaluating general structural and mechanical chain properties. We find that twist-bend coupling renormalizes the persistence length and the force-extension curves relative to wormlike chains. Analysis of intrinsically twisted polymers shows that incorporation of twist-bend coupling results in the oscillatory behavior in principal tangent correlations that are observed in some studies of synthetic polymers. The exact nature of our solution provides a framework to evaluate the role of twist-bend coupling on polymer properties, such as DNA bound to histones and motivates the reinterpretation of existing biopolymer experimental data.

Ghosh, Ashesh [University of California, Berkeley,↗
DOE OSTI2025

Resonant inelastic x-ray scattering investigation of Hund's and spin-orbit coupling in 5 d 2 double perovskites

𝐵 site ordered 5⁢𝑑 2 double perovskites (𝐴 2 ⁢𝐵⁢𝐵′⁢O 6 , 𝐵′ = 5⁢𝑑 2 ) display a remarkable range of physical properties upon variation of the chosen 𝐵 and 𝐵′ site ions. This sensitivity to chemical substitution reflects the delicate balance and profound impact of strong electronic correlation and spin-orbit coupling in such systems. Here, we present rhenium 𝐿 2 and 𝐿 3 resonant inelastic x-ray scattering (RIXS) measurements of two such physically dissimilar materials, Mott-insultating Ba 2⁢ Y⁢Re⁢O 6 and semiconducting Sr 2⁢ Cr⁢Re⁢O 6 . Despite these differences, our RIXS results reveal similar energy scales of Hund's (𝐽 𝐻 ) and spin-orbit coupling (𝜁) in the two materials, with both systems firmly in the intermediate Hund's coupling regime where 𝐽 𝐻 /𝜁∼1. However, there are clear differences in their RIXS spectra. The conductive character of Sr 2⁢ Cr⁢Re⁢O 6 broadens and obfuscates the atomic transitions within an electron-hole continuum, while the insulating character of Ba 2 ⁢Y⁢Re⁢O 6 results in sharp atomic excitations. This contrast in their RIXS spectra despite their similar energy scales reflects a difference in the itinerancy-promoting hopping integral and illustrates the impact of the local crystal environment in double perovskites. Finally, 𝐿 2 and 𝐿 3 edge analyses of the atomic excitations in Ba 2 ⁢Y⁢Re⁢O 6 reveal that the ordering of the low lying excited states is inverted compared to previous reports, such that the appropriate energy scales of Hund's and spin-orbit coupling are significantly modified. We present exact diagonalization calculations of the RIXS spectra at both edges which show good agreement with our results for new energy scales of 𝜁 = 0.290⁢(5)⁢eV and 𝐽 𝐻 = 0.38⁢(2)⁢eV [𝐽 𝐻 /𝜁 = 1.30⁢(5)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

From closed shells to open shells: Coupled-cluster calculations of atomic nuclei

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segrè chart. While coupled-cluster computations are especially efficient at shell closures, extensions have been developed to tackle open-shell nuclei, by exploiting the equation-of-motion method or by expanding the coupled-cluster wave function on top of a symmetry-breaking (either deformed or superfluid) reference state. In this study, we provide a comprehensive comparison of these different formulations applied to the calcium and nickel isotopes using nuclear two-and three-body interactions from chiral effective field theory. Here, based on ground-state energies, two-neutron separation energies, and two-neutron shell gaps, different coupled-cluster computations—based on symmetry-broken reference states and equationof-motion techniques— offer consistent descriptions of bulk properties across medium-mass isotopic chains.

Marino, Francesco [Johannes Gutenberg-Universität ↗
DOE OSTI2023

Raman-induced mode coupling in temporal waveguides formed by short solitons

We study the propagation of optical pulses trapped inside a temporal waveguide formed by two solitons in a dispersive nonlinear medium such as an optical fiber. The solitons are short enough that they decelerate as their spectra shift continuously toward the red side because of intrapulse Raman scattering. We show that the shape of a probe pulse trapped between the two solitons evolves in a periodic fashion, while its spectrum shifts toward the blue side. We develop a coupled-mode theory showing that such changes occur because of mode coupling induced by the deceleration of the short solitons, resulting in a curved waveguide. Here, a simplified two-mode model is used to introduce a single-parameter governing modal coupling and to find the condition under which coupling becomes weak enough that the probe pulse blue-shifts its spectrum without changes in its pulse shape.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Connection of temporal coupled-mode-theory formalisms for a resonant optical system and its time-reversal conjugate

Temporal coupled-mode theory has been widely used to describe the physics of resonant optical systems. In general, an optical system can be constrained by energy conservation, time-reversal symmetry, and reciprocity. Most previous developments of temporal coupled-mode theory made use of all three constraints. In this paper, we consider separately the implication of each of these constraints on the parameters of temporal coupled-mode theory. For this purpose we made extensive use of the connection between a physical system and its time-reversal conjugate. This connection also indicates some of the nontrivial implications of the relation between the resonant properties of a physical system and its time-reversal conjugate. We validate these implications numerically by direct electromagnetic simulations of a guided resonance system. Furthermore, this work should enable the application of temporal coupled-mode theory to a wider range of resonant systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗