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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 OSTI2018

Physics-Dynamics Coupling in Weather, Climate, and Earth System Models: Challenges and Recent Progress

Geophysical models of the atmosphere and ocean invariably involve parameterizations. These represent two distinct areas: a) Subgrid processes which the model cannot (yet) resolve, due to its discrete resolution, and b) sources in the equation, due to radiation for example. Hence coupling between these physics parameterizations and the resolved fluid dynamics and also between the dynamics of the different fluids in the system (air and water) is necessary. This coupling is an important aspect of geophysical models. However, often model development is strictly segregated into either physics or dynamics. Hence, this area has many more unanswered questions than in-depth understanding. Furthermore, recent developments in the design of dynamical cores (significant increase of resolution, move to non-hydrostatic equation sets etc), extended process physics (prognostic micro physics, 3D turbulence, non-vertical radiation etc) and predicted future changes of the computational infrastructure (Exascale with its need for task parallelism, data locality and asynchronous time stepping for example) is adding even more complexity and new questions.

Gross, Markus↗
DOE OSTI2019

Multiply accelerated ReaxFF molecular dynamics: coupling parallel replica dynamics with collective variable hyper dynamics

To address the time scales required to study complex chemical reactions, methods performing accelerated molecular dynamics are necessary even with the recent advancement in high-performance computing. A number of different acceleration techniques are available. Here we explore potential synergies between two popular acceleration methods – Parallel Replica Dynamics (PRD) and Collective Variable Hyperdynamics (CVHD), by analysing the speedup obtained for the pyrolysis of n-dodecane. We determine that PRD + CVHD provides additional speedup to CVHD by reaching the required time scales for the reaction at an earlier wall-clock time. Although some speedup is obtained with the additional replicas, we found that the effectiveness of the inclusion of PRD is depreciated for systems where there is a dramatic increase in reaction rates induced by CVHD. Similar observations were made in the simulation of ethylene-carbonate/Li system, which is inherently more reactive than pyrolysis, suggest that the speedup obtained via the combination of the two acceleration methods can be generalised to most practical chemical systems.

42 ENGINEERING↗
DOE OSTI2018

Synchronization of Coupled Dynamical Systems: Tolerance to Weak Connectivity and Arbitrarily Bounded Time-Varying Delays

We study synchronization of coupled linear systems over networks with weak connectivity and time-varying delays. We focus on the case that the internal dynamics are time-varying but non-expansive. Both uniformly connected and infinitely connected communication topologies are considered. A new concept of P-synchronization is introduced and we first show that global asymptotic P-synchronization can be achieved over directed networks with uniform joint connectivity and arbitrarily bounded delays. We then study the case of the infinitely jointly connected communication topology. In particular, for the undirected communication topologies, it turns out that the existence of a uniform time interval for the communication topology is not necessary and P-synchronization can be achieved when the time varying delays are arbitrarily bounded. Simulations are given to validate the theoretical results.

Linear time-varying system, Synchronization, Switc↗
DOE OSTI2018

Dynamically-coupled partial-waves in ρπ isospin-2 scattering from lattice QCD

We present the first determination of ρπ scattering, incorporating dynamically-coupled partial-waves, using lattice QCD, a first-principles numerical approach to QCD. Considering the case of isospin-2 ρπ, we calculate partial-wave amplitudes with J ≤ 3 and determine the degree of dynamical mixing between the coupled S and D-wave channels with J P = 1 + . The analysis makes use of the relationship between scattering amplitudes and the discrete spectrum of states in the finite volume lattice. Constraints on the scattering amplitudes are provided by over one hundred energy levels computed on two lattice volumes at various overall momenta and in several irreducible representations of the relevant symmetry groups. The spectra follow from variational analyses of matrices of correlations functions computed with large bases of meson-meson operators. Calculations are performed with degenerate light and strange quarks tuned to the physical strange quark mass so that m π ~700 MeV, ensuring that the ρ is stable against strong decay. Furthermore, this work demonstrates the successful application of techniques, opening the door to calculations of scattering processes that incorporate the effects of dynamically-coupled partial-waves, including those involving resonances or bound states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Injection locking and coupling dynamics in superconducting nanowire-based cryogenic oscillators

Oscillators designed to function at cryogenic temperatures play a critical role in superconducting electronics and quantum computing by providing stable, low-noise signals with minimal energy loss. Here, in this work, we present a comprehensive numerical study of injection locking and mutual coupling dynamics in superconducting nanowire (ScNW)-based cryogenic oscillators. Using the design space of a standalone ScNW-based oscillator, we investigate two critical mechanisms that govern frequency synchronization and signal coordination in cryogenic computing architectures: (1) injection locking induced by an external AC signal with a frequency near the oscillator's natural frequency, and (2) the mutual coupling dynamics between two ScNW oscillators under varying coupling strengths. We identify key design parameters—such as shunt resistance, nanowire inductance, and coupling strength—that govern the locking range. Additionally, we examine how the amplitude of the injected signal affects the amplitude of the locked oscillation, offering valuable insights for power-aware oscillator synchronization. Furthermore, we analyze mutual synchronization between coupled ScNW oscillators using capacitive and resistive coupling elements. Our results reveal that the phase difference between oscillators can be controlled by tuning the coupling strength, enabling programmable phase-encoded information processing. These findings could enable building ScNW-based oscillatory neural networks, synchronized cryogenic logic blocks, and on-chip cryogenic resonator arrays.

Artificial neural networks↗
DOE OSTI2015

Dynamic Coupling between Electrode Interface and Donor/Acceptor Interface via Charge Dissociation in Organic Solar Cells at Device-Operating Condition

Organic solar cells exhibit both electrode/photovoltaic (E/P) interface and donor/acceptor (D/A) interface in controlling the critical photovoltaic processes. Here, on the basis of the efficient PTB7:PC71BM solar cells, our studies on magneto-photocurrent with external bias provide the first evidence that the E/P interface and D/A interface are dynamically coupled at device-operating condition. Specifically, we observe a significant decrease (90%) in the critical bias required to completely dissociate the charge transfer (CT) states at D/A interface by changing the E/P interface with increased interface dipole field from ZnO to the polyelectrolyte (PFN). The experimental results demonstrate that strong dipole field at the E/P interface can effectively decrease the electron hole binding energy at D/A interface through the enhancement of built-in field applied on CT states. Clearly, our experimental studies provide new insight on the interfacial engineering through addressing the dynamic coupling between E/P interface and D/A interface in organic bulkheterojunction solar cells toward further improvement on photovoltaic efficiencies.

14 SOLAR ENERGY↗
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↗
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 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↗
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↗
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↗