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DOE OSTI2022

Dynamic coupling and spin-wave dispersions in a magnetic hybrid system made of an artificial spin-ice structure and an extended NiFe underlayer

We present a combined experimental and numerical study of the spin-wave dispersion in a NiFe artificial spin-ice (ASI) system consisting of an array of stadium-shaped nanoislands deposited on the top of a continuous NiFe film with non-magnetic spacer layers of varying thickness. The spin-wave dispersion, measured by wavevector resolved Brillouin light scattering spectroscopy in the Damon–Eshbach configuration, consists of a rich number of modes, with either stationary or propagating character. We find that the lowest frequency mode displays a bandwidth of ~0.5 GHz, which is independent of the presence of the film underneath. On the contrary, the Brillouin light scattering intensity of some of the detected modes strongly depends on the presence of the extended thin-film underlayer. Micromagnetic simulations unveil the details of the dynamic coupling between the ASI lattice and film underlayer. Interestingly, the ASI lattice facilitates dynamics of the film either specific wavelengths or intensity modulation peculiar to the modes of the ASI elements imprinted in the film. Our results demonstrate that propagating spin waves can be modulated at the nanometer length scale by harnessing the dynamic mode coupling in the vertical, i.e., the out-of-plane direction of suitably designed magnonic structures.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Physics–Dynamics Coupling with Element-Based High-Order Galerkin Methods: Quasi-Equal-Area Physics Grid

Atmospheric modeling with element-based high-order Galerkin methods presents a unique challenge to the conventional physics–dynamics coupling paradigm, due to the highly irregular distribution of nodes within an element and the distinct numerical characteristics of the Galerkin method. The conventional coupling procedure is to evaluate the physical parameterizations ( physics) on the dynamical core grid. Evaluating the physics at the nodal points exacerbates numerical noise from the Galerkin method, enabling and amplifying local extrema at element boundaries. Grid imprinting may be substantially reduced through the introduction of an entirely separate, approximately isotropic finite-volume grid for evaluating the physics forcing. Integration of the spectral basis over the control volumes provides an area-average state to the physics, which is more representative of the state in the vicinity of the nodal points rather than the nodal point itself and is more consistent with the notion of a “large-scale state” required by conventional physics packages. This study documents the implementation of a quasi-equal-area physics grid into NCAR’s Community Atmosphere Model Spectral Element and is shown to be effective at mitigating grid imprinting in the solution. The physics grid is also appropriate for coupling to other components within the Community Earth System Model, since the coupler requires component fluxes to be defined on a finite-volume grid, and one can be certain that the fluxes on the physics grid are, indeed, volume averaged.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Performance and Accuracy Implications of Parallel Split Physics-Dynamics Coupling in the Energy Exascale Earth System Atmosphere Model

Simultaneous calculation of atmospheric processes is faster than calculating processes one at a time. This type of parallelism is beneficial or perhaps even necessary to provide good performance on modern supercomputers, which achieve faster performance through increased processor count rather than improved clock speed. The scalability of the Energy Exascale Earth System Model (E3SM) Atmosphere Model (EAM) is limited by the fluid dynamics which scales up to the number of mesh cells in the global mesh. In contrast, the suite of physics parameterizations in EAM is scalable up to the total number of physics columns, which is an order of magnitude greater than the number of mesh cells. A proposed solution to unlocking the greater potential performance from the physics suite is to solve the physics and dynamics in parallel. This work represents a first attempt at parallel splitting of the grid-scale fluid dynamics model and the subgrid-scale physics parameterizations in a global atmosphere model. We will demonstrate that switching to parallel physics-dynamics coupling extends the scalability of the EAM to up to 3 times the previous peak scalability limit and is up to 20% faster than the sequentially split coupling at the highest core counts and the same time step. Decadal simulations of both coupling approaches show very little impact to the model climate. This improved performance does not come without drawbacks, however. Parallel splitting requires a shorter time step and other modifications which largely offset performance gains. A mass fixer is required for conservation. Techniques for mitigating these issues are also discussed.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

Stellar convection theory. III - Dynamical coupling of the two convection zones in A-type stars by penetrative motions

The thermal convection occurring over many density scale heights in an A-type star outer envelope, encompassing both the hydrogen and helium convectively unstable zones, is examined by means of anelastic modal equations. The single-mode anelastic equations for such compressible convection display strong overshooting of the motions into adjacent radiative zones, which would preclude diffusive separation of elements in the supposedly quiescent region between the two unstable zones. In addition, the anelastic solutions reveal that the two zones of convective instability are dynamically coupled by the overshooting motions. The two solutions that the nonlinear single-mode equations admit for the same horizontal wavelength are distinguished by the sense of the vertical velocity at the center of the three-dimensional cell. It is suggested that strong horizontal shear flows should be present just below the surface of the star, and that the large-scale motions extending into the stable atmosphere would appear mainly as horizontal flows.

Latour, J.↗

DOE OSTI2023

Influence of local symmetry on lattice dynamics coupled to topological surface states

Herein we investigate coupled electron-lattice dynamics in the topological insulator Bi 2 Te 3 with time-resolved photoemission and time-resolved x-ray diffraction. It is well established that coherent phonons can be launched by optical excitation, but selection rules generally restrict these modes to zone-center wave vectors and Raman-active branches. We find that the topological surface state couples to additional modes, including a continuum of surface-projected bulk modes from both Raman and infrared branches, with possible contributions from surface-localized modes when they exist. Our calculations show that this surface vibrational spectrum occurs naturally as a consequence of the translational and inversion symmetries broken at the surface, without requiring the splitting-off of surface-localized phonon modes. The generality of this result suggests that coherent phonon spectra are useful by providing unique fingerprints for identifying surface states in more controversial materials. These effects may also expand the phase space for tailoring surface state wave functions via ultrafast optical excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Physics and dynamics coupling across scales in the next generation CESM: Meeting the challenge of high resolution. Final report

This is a final report for a SciDAC grant supported by BER. The project implemented a novel technique for coupling small-scale dynamics and microphysics into a community climate model. The technique uses subcolumns that are sampled in Monte Carlo fashion from a distribution of subgrid variability. The resulting global simulations show several improvements over the status quo.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables, we select the position of the nanoparticle and the total mass and momentum density field of the fluid, which are locally conserved slow variables because they are defined to include the contribution of the nanoparticle. The theory of coarse graining based on the Zwanzing projection operator leads us to a system of stochastic ordinary differential equations that are closed in the relevant variables. We demonstrate that our discrete coarse-grained equations are consistent with a Petrov-Galerkin finite-element discretization of a system of formal stochastic partial differential equations which resemble previously used phenomenological models based on fluctuating hydrodynamics. Key to this connection between our “bottom-up” and previous “top-down” approaches is the use of the same dual orthogonal set of linear basis functions familiar from finite element methods (FEMs), both as a way to coarse-grain the microscopic degrees of freedom and as a way to discretize the equations of fluctuating hydrodynamics. Another key ingredient is the use of a “linear for spiky” weak approximation which replaces microscopic “fields” with a linear FE interpolant inside expectation values. For the irreversible or dissipative dynamics, we approximate the constrained Green-Kubo expressions for the dissipation coefficients with their equilibrium averages. Under suitable approximations, we obtain closed approximations of the coarse-grained dynamics in a manner which gives them a clear physical interpretation and provides explicit microscopic expressions for all of the coefficients appearing in the closure. Our work leads to a model for dilute nanocolloidal suspensions that can be simulated effectively using feasibly short molecular dynamics simulations as input to a FEM fluctuating hydrodynamic solver.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Quantum emitters dynamically coupled to a quantum field

We study theoretically the dynamical response of a set of solid-state quantum emitters arbitrarily coupled to a single-mode microcavity system. Ramping the matter-field coupling strength in round trips, we quantify the hysteresis or irreversible quantum dynamics. The matter-field system is modeled as a finite-size Dicke model which has previously been used to describe equilibrium (including quantum phase transition) properties of systems such as quantum dots in a microcavity. Here we extend this model to address non-equilibrium situations. Analyzing the system’s quantum fidelity, we find that the near-adiabatic regime exhibits the richest phenomena, with a strong asymmetry in the internal collective dynamics depending on which phase is chosen as the starting point. We also explore signatures of the crossing of the critical points on the radiation subsystem by monitoring its Wigner function; then, the subsystem can exhibit the emergence of non-classicality and complexity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1995

An investigation of helicopter dynamic coupling using an analytical model

Many attempts have been made in recent years to predict the off-axis response of a helicopter to control inputs, and most have had little success. Since physical insight is limited by the complexity of numerical simulation models, this paper examines the off-axis response problem using an analytical model, with the goal of understanding the mechanics of the coupling. A new induced velocity model is extended to include the effects of wake distortion from pitch rate. It is shown that the inclusion of these results in a significant change in the lateral flap response to a steady pitch rate. The proposed inflow model is coupled with the full rotor/body dynamics, and comparisons are made between the model and flight test data for a UH-60 in hover. Results show that inclusion of induced velocity variations due to shaft rate improves correlation in the pitch response to lateral cycle inputs.

Keller, Jeffrey D.↗

NASA NTRS1997

A Three-Wave Model of the Stratosphere with Coupled Dynamics, Radiation and Photochemistry

A zonal mean chemistry transport model (2-D CTM) coupled with a semi-spectral dynamical model is used to simulate the distributions of trace gases in the present day atmosphere. The zonal-mean and eddy equations for the velocity and the geopotential height are solved in the semi-spectral dynamical model. The residual mean circulation is derived from these dynamical variables and used to advect the chemical species in the 2- D CTM. Based on a linearized wave transport equation, the eddy diffusion coefficients for chemical tracers are expressed in terms of the amplitude, frequency and growth rate of dynamical waves; local chemical loss rates; and a time constant parameterizing small scale mixing. The contributions to eddy flux are from the time varying wave amplitude (transient eddy), chemical reactions (chemical eddy) and small scale mixing. In spite of the high truncation in the dynamical module (only three longest waves are resolved), the model has simulated many observed characteristics of stratospheric dynamics and distribution of chemical species including ozone. Compared with the values commonly used in 2-D CTMs, the eddy diffusion coefficients for chemical species calculated in this model are smaller, especially in the subtropics. It is also found that the chemical eddy diffusion has only a small effects in determining the distribution of most slow species, including ozone in the stratosphere.

Shia, Run-Lie↗

DOE OSTI2026

Magnon-Magnon Interaction Induced by Dynamic Coupling in a Hybrid Magnonic Crystal

We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film separated by a 5 nm Al 2 O 3 spacer. Using Brillouin light scattering spectroscopy, we probe the frequency dependence of thermal spin waves as functions of applied magnetic field and wavevector, revealing the decisive role of interlayer dipolar coupling in the magnetization dynamics. Micromagnetic simulations complement the experiments, showing a strong interplay between ASI edge modes and backward volume modes in the NiFe film. The contrast in saturation magnetization between CoFeB and NiFe enhances this coupling, leading to a pronounced hybridization manifested as a triplet of peaks in the BLS spectra predicted by simulations and observed experimentally. This magnon−magnon coupling persists over a wide magnetic field range, shaping both the spin-wave dispersion at fixed fields and the full frequency-field response throughout the magnetic hysteresis loop. Our findings establish how ASI geometry can selectively enhance specific spin-wave wavelengths in the underlying film, thereby boosting their amplitude and identifying them as preferential channels for spin wave transmission and manipulation.

Brillouin light scattering spectroscopy↗

NASA NTRS1994

Modeling dynamically coupled fluid-duct systems with finite line elements

Structural analysis of piping systems, especially dynamic analysis, typically considers the duct structure and the contained fluid column separately. Coupling of these two systems, however, forms a new dynamic system with characteristics not necessarily described by the superposition of the two component system's characteristics. Methods for modeling the two coupled components simultaneously using finite line elements are presented. Techniques for general duct intersections, area or direction changes, long radius bends, hydraulic losses, and hydraulic impedances are discussed. An example problem and results involving time transients are presented. Additionally, a program to enhance post-processing of line element models is discussed.

Saxon, J. B.↗

DOE OSTI2022

CFD Simulation of Floating Body Motion with Mooring Dynamics: Coupling MoorDyn with OpenFOAM

It is increasingly popular to use Computational Fluid Dynamics (CFD) models to study floating structures subjected to ocean waves, especially when it comes to applications of floating offshore wind turbines and Wave Energy Converters (WECs). Mooring dynamics are currently lacking in most of these applications. This paper presents a coupled simulation study of moored floating body motion by coupling two open-source libraries: a finite volume CFD toolbox, OpenFOAM, and a lumped-mass mooring model, MoorDyn. The instantaneous floating body position and velocity are passed from the body motion solver in the CFD model to the mooring model to calculate the fairlead kinematics. The mooring reaction forces, which are calculated by MoorDyn after updating the mooring system states, are then returned to the body motion solver to update the floating body motion. Both mesh deformation and overset mesh methods are used as the mesh motion solver in the CFD model to account for the floating body motion. The coupled model was validated against experimental measurements for a floating box moored with four catenary lines under the action of regular waves, which came from a preliminary test campaign for WECs. Apart from the lumped-mass mooring model, the present work also coupled a quasi-static mooring model and a finite element model with the floating body motion solver in OpenFOAM. The mooring line tensions predicted by these models were compared. The coupled model equipped with three mooring line codes may be further used to carry out survivability studies of FOWTs and WECs subject to severe sea states.

floating body↗

DOE OSTI2026

Atomically Resolved Acoustic Dynamics Coupled with Magnetic Order in a Van der Waals Antiferromagnet

Magnetoelastic coupling in van der Waals (vdW) magnetic materials enables a unique interplay between the spin and lattice degrees of freedom. Characterizing the elastic responses with atomic and femtosecond resolution across the magnetic transition is essential for guiding the design of magnetically tunable actuators and strain-mediated spintronic devices. Here, ultrafast X-ray diffraction employed at a free-electron laser reveals that the atomic displacements, wave vectors, and dispersion relations of acoustic phonon modes in a vdW antiferromagnet FePS3 are coupled with the magnetic order, by tracking both in-plane and out-of-plane Bragg peaks upon optical excitation across the Néel temperature (TN). One transverse mode shows that a quasi-out-of-plane atomic displacement undergoes a significant directional change across TN. Its quasi-in-plane wave vector is derived by comparing the measured sound velocity and the first-principles calculations. The other transverse mode is an interlayer shear acoustic mode whose amplitude is strongly enhanced in the antiferromagnetic phase, exhibiting eight times stronger amplitude than the longitudinal acoustic mode below TN. The atomically resolved characterization of acoustic phonon dynamics that couple with magnetic ordering opens opportunities for harnessing unique magnetoelastic coupling in vdW magnets on ultrafast timescales.

coherent acoustic phonons↗

DOE OSTI2018

Modeling and Simulation of Deepwater Pipeline S-Lay With Coupled Dynamic Positioning

Dynamic position (DP) control and pipeline dynamics are the two main parts of the deepwater S-lay simulation model. In this study, a fully coupled analysis tool for deepwater S-lay deployment by dynamically positioned vessels is developed. The method integrates the major aspects related to numerical simulation, including coupled pipeline motion and roller contact forces. The roller–pipe interaction is incorporated in the S-lay pipeline model using a contact search method based on a lumped-mass (LM) formulation in global coordinates. A proportional-integration-differentiation (PID) controller and a Kalman filter are applied in the vessel motion equation to calculate the thrust allocation of the DP system in time domain. Numerical simulation results showed that the dynamic effects add a significant contribution to the tension, but have little influence on the maximum pipe stress and strain. The dynamic response of the coupled S-lay and DP pipeline deployment system increases the demand on the tensioner load carrying capability as well as the maximum DP thruster power.

Engineering↗

NASA NTRSDate not supplied

Ascent Aborts 2 Flight, Reconstruction of Structural Dynamics (Couple Loads Transients)

- This work describes the elements of AA2 post-flight data analysis, couple loads analysis, and comparisons of the flight data with the results of analytical methods transiently. - The measured transient responses ranged from rigid body frequencies (zero Hz) to 150 Hz. - The analytical methods consisted of defining and determining all forcing functions, i.e., buffet, aerodynamics, thrusts from the abort motor and the carrier lunch vehicle motor, and the initial conditions at pre-separation. - Mathematical models representing the mechanics of Orion abort is relatively complex because 1) two motors (carrier’s and LAS’s) are operating at the same time at pre-separation, and 2) the separation occurs in atmosphere. - Other challenges consist of determining the aerodynamics with plume-on condition at every millisecond of the flight ranging from transonic to supersonic (i.e., Mach 1.1 to Mach 1.6), and defining the mechanics of separation of LAS from the launch vehicle.

Launch Vehicle↗

DOE OSTI2015

Physics and Dynamics Coupling Across Scales in the Next Generation CESM: Meeting the Challenge of High-Resolution (Final Report)

This project examines physics/dynamics coupling, that is, exchange of meteorological profiles and tendencies between an atmospheric model’s dynamical core and its various physics parameterizations. Most model physics parameterizations seek to represent processes that occur on scales smaller than the smallest scale resolved by the dynamical core. As a consequence a key conceptual aspect of parameterizations is an assumption about the subgrid variability of quantities such as temperature, humidity or vertical wind. Most existing parameterizations of processes such as turbulence, convection, cloud, and gravity wave drag make relatively ad hoc assumptions about this variability and are forced to introduce empirical parameters, i.e., “tuning knobs” to obtain realistic simulations. These knobs make systematic dependences on model grid size difficult to quantify.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Anharmonic Cation–Anion Coupling Dynamics Assisted Lithium‐Ion Diffusion in Sulfide Solid Electrolytes

Abstract Sulfide‐based lithium superionic conductors often show higher Li‐ion conductivity than other types of electrolyte materials. This work unveils a unique Li‐ion conductive behavior in these materials through the perspective of anharmonic coupling assisted Li‐ion diffusion. Li hopping events can happen simultaneously with various types of lattice dynamics, while only a statistically important synchronization of motions may indicate coupling. This method enables a direct evaluation of the coupling strength between these motions, which more fundamentally decides if a specific type of lattice motion is really anharmonically coupled to the Li hopping event and whether the coupling can facilitate the Li diffusion. By a new ab initio computational approach, this work unveils a unique phenomenon in prototype sulfide electrolytes in comparison with typical halide ones, that Li‐ion conduction can be boosted by the anharmonic coupling of low‐frequency Li phonon modes with high‐frequency anion stretching or flexing phonon modes, rather than the low‐frequency rotational modes. The coupling pushes Li ions toward the diffusion channels for reduced diffusion barriers. The result from the lower temperature range (≈0–300 K) of simulation can also be more relevant to the application of solid‐state batteries.

Chemistry↗