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At least 703 records · Page 39

Partitioned exponential methods for coupled multiphysics systems

Multiphysics problems involving two or more coupled physical phenomena are ubiquitous in science and engineering. This work develops a new partitioned exponential approach for the time integration of multiphysics problems. After a possible semi-discretization in space, the class of problems under consideration is modeled by a system of ordinary differential equations where the right-hand side is a summation of two component functions, each corresponding to a given set of physical processes. The partitioned-exponential methods proposed herein evolve each component of the system via an exponential integrator, and information between partitions is exchanged via coupling terms. Here, the traditional approach to constructing exponential methods, based on the variation-of-constants formula, is not directly applicable to partitioned systems. Rather, our approach to developing new partitioned-exponential families is based on a general-structure additive formulation of the schemes. Two method formulations are considered, one based on a linear-nonlinear splitting of the right hand component functions, and another based on approximate Jacobians. The paper develops classical (non-stiff) order conditions theory for partitioned exponential schemes based on particular families of T-trees and B-series theory. Several practical methods of third order are constructed that extend the Rosenbrock-type and EPIRK families of exponential integrators. Several implementation optimizations specific to the application of these methods to reaction-diffusion systems are also discussed. Numerical experiments reveal that the new partitioned-exponential methods can perform better than traditional unpartitioned exponential methods on some problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rayleigh–Taylor and Richtmyer–Meshkov instabilities: A journey through scales

Hydrodynamic instabilities such as Rayleigh–Taylor (RT) and Richtmyer–Meshkov (RM) instabilities usually appear in conjunction with the Kelvin–Helmholtz (KH) instability and are found in many natural phenomena and engineering applications. They frequently result in turbulent mixing, which has a major impact on the overall flow development and other effective material properties. This can either be a desired outcome, an unwelcome side effect, or just an unavoidable consequence, but must in all cases be characterized in any model. The RT instability occurs at an interface between different fluids, when the light fluid is accelerated into the heavy. The RM instability may be considered a special case of the RT instability, when the acceleration provided is impulsive in nature such as that resulting from a shock wave. Here in this pedagogical review, we provide an extensive survey of the applications and examples where such instabilities play a central role. First, fundamental aspects of the instabilities are reviewed including the underlying flow physics at different stages of development, followed by an overview of analytical models describing the linear, nonlinear and fully turbulent stages. RT and RM instabilities pose special challenges to numerical modeling, due to the requirement that the sharp interface separating the fluids be captured with fidelity. These challenges are discussed at length here, followed by a summary of the significant progress in recent years in addressing them. Examples of the pivotal roles played by the instabilities in applications are given in the context of solar prominences, ionospheric flows in space, supernovae, inertial fusion and pulsed-power experiments, pulsed detonation engines and Scramjets. Progress in our understanding of special cases of RT/RM instabilities is reviewed, including the effects of material strength, chemical reactions, magnetic fields, as well as the roles the instabilities play in ejecta formation and transport, and explosively expanding flows. The article is addressed to a broad audience, but with particular attention to graduate students and researchers who are interested in the state-of-the-art in our understanding of the instabilities and the unique issues they present in the applications in which they are prominent.

42 ENGINEERING↗

Anisotropic Two-Dimensional Disordered Wigner Solid

The interplay between the Fermi sea anisotropy, electron-electron interaction, and localization phenomena can give rise to exotic many-body phases. An exciting example is an anisotropic two-dimensional (2D) Wigner solid (WS), where electrons form an ordered array with an anisotropic lattice structure. Such a state has eluded experiments up to now as its realization is extremely demanding: First, a WS entails very low densities where the Coulomb interaction dominates over the kinetic (Fermi) energy. Attaining such low densities while keeping the disorder low is very challenging. Second, the low-density requirement has to be fulfilled in a material that hosts an anisotropic Fermi sea. Here, we report transport measurements in a clean (low-disorder) 2D electron system with anisotropic effective mass and Fermi sea. The data reveal that at extremely low electron densities, when the r s parameter, the ratio of the Coulomb to the Fermi energy, exceeds ≃ 38, the current-voltage characteristics become strongly nonlinear at small dc biases. Several key features of the nonlinear characteristics, including their anisotropic voltage thresholds, are consistent with the formation of a disordered, anisotropic WS pinned by the ubiquitous disorder potential.

42 ENGINEERING↗

Quantum control of exciton wave functions in 2D semiconductors

Excitons—bound electron-hole pairs—play a central role in light-matter interaction phenomena and are crucial for wide-ranging applications from light harvesting and generation to quantum information processing. A long-standing challenge in solid-state optics has been to achieve precise and scalable control over excitonic motion. We present a technique using nanostructured gate electrodes to create tailored potential landscapes for excitons in 2D semiconductors, enabling in situ wave function shaping at the nanoscale. Our approach forms electrostatic traps for excitons in various geometries, such as quantum dots, rings, and arrays thereof. We show independent spectral tuning of spatially separated quantum dots, achieving degeneracy despite material disorder. Owing to the strong light-matter coupling of excitons in 2D semiconductors, we observe unambiguous signatures of confined exciton wave functions in optical reflection and photoluminescence measurements. This work unlocks possibilities for engineering exciton dynamics and interactions at the nanometer scale, with implications for optoelectronic devices, topological photonics, and quantum nonlinear optics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cloud Structure and Cloud-Radiation Interaction: From Smallest Observable Scales (Less than 10 m) to GCM Grid Scales (More than 100 km)

In this presentation we review the fractal nature of internal cloud structure from cm- to km-scales as captured by in-situ probes during long horizontal penetrations by aircraft. We uncover the non-Poissonian spatial distribution of cloud droplets at submeter scales and confirm scale-invariant behavior for large scales. Based on these structural characteristics, we generate simple fractal cloud models that reproduce statistical scaling properties of real clouds. These stochastic models represent a link between nonlinear science, in general, and cloud-radiation interaction, in particular. Next we run three-dimensional radiative transfer computations on these synthetic fractal clouds and compare the structure of the resulting radiation fields with the known structure of the cloud model and with satellite images of real clouds. The different behaviors observed for small and large-scale variabilities will be discussed in detail. We find that while the large-scale fluctuations of the resulting radiation fields resemble those in the original scale-invariant cloud structure, the radiation at small scales is much smoother than its cloud liquid water counterpart. This violates scale-invariance and produces a scale-break at 0.2-0.5 km that is clearly observed in high-resolution satellite data such as from Landsat. Finally, we show how radiative transfer Green function theory in the photon diffusion limit explains (and predicts) the above phenomena of "radiative smoothing."

Marshak, Alexander↗

Mode interaction in stiffened composite shells under combined mechanical and thermal loadings

Stiffened shells of various configurations fabricated out of composite materials find extensive applications in aircraft structures. Two distinctive modes of buckling dominate structural response of stiffened panels, viz. the short-wave local mode in which the shell skin buckles essentially between the stiffeners and the long-wave overall mode in which the shell skin buckles carrying the stiffeners with it. In optimized designs, the critical stresses corresponding to these modes of buckling would be close to each other. This leads to a nonlinear mode interaction which is recognized to be the principal cause of the failure of stiffened structures. If the structure is subjected to through-the-thickness thermal gradients, then large-wave bending effects would begin to occur well below the overall critical load and these would play the role of overall imperfections. The load carrying capacity would be significantly diminished as a result of interaction of local buckling with overall thermal distortions. The analysis of this problem using standard finite element techniques can be shown to be prohibitively expensive for design iterations. A concept which would greatly facilitate the analysis of mode interaction is advanced. We note that the local buckling occurs in a more or less periodic pattern in a structure having regular spacings of stiffeners. Thus it is a relatively simple matter to analyze the local buckling and the second order effects (which are essential for modeling postbuckling phenomena) using a unit cell of the structure. Once analyzed, these dormations are embedded in a shell element. Thus, a shell element could span several half-waves of local buckling and still be able to depict local buckling effects with requisite accuracy. A major consequence of the interaction of overall buckling/bending is the slow variation of the local buckling amplitude across the structure - the phenomenon of 'amplitude modulation' - and this is accounted for in the present model by letting the scaling parameter of the local mode vary according to a 'slowly varying' function. The construction of the analytical model involves essentially two stages and these are described briefly.

Sridharan, Srinivasan↗

Electro-optic characterization of synthesized infrared-visible light fields

The measurement and control of light field oscillations enable the study of ultrafast phenomena on sub-cycle time scales. Electro-optic sampling (EOS) is a powerful field characterization approach, in terms of both sensitivity and dynamic range, but it has not reached beyond infrared frequencies. Here, we show the synthesis of a sub-cycle infrared-visible pulse and subsequent complete electric field characterization using EOS. The sampled bandwidth spans from 700 nm to 2700 nm (428 to 110 THz). Tailored electric-field waveforms are generated with a two-channel field synthesizer in the infrared-visible range, with a full-width at half-maximum duration as short as 3.8 fs at a central wavelength of 1.7 µm (176 THz). EOS detection of the complete bandwidth of these waveforms extends it into the visible spectral range. To demonstrate the power of our approach, we use the sub-cycle transients to inject carriers in a thin quartz sample for nonlinear photoconductive field sampling with sub-femtosecond resolution.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Time-resolved resonant inelastic x-ray scattering in a pumped Mott insulator

Collective excitations contain rich information about photoinduced transient states in correlated systems. In a Mott insulator, charge degrees of freedom are frozen, but can be activated by photodoping. The energy-momentum distribution of the charge excitation spectrum reflects the propagation of charge degrees of freedom and provides information about the interplay among various intertwined instabilities on the timescale set by the pump. To reveal charge excitations out of equilibrium, here we simulate time-resolved x-ray absorption and resonant inelastic x-ray scattering using a Hubbard model. After pumping, the former resolves photodoping, while the latter characterizes the formation, dispersion, weight, and nonlinear effects of collective excitations. Intermediate-state information from time-resolved resonant inelastic x-ray scattering (trRIXS) can be used to decipher the origin of these excitations, including bimagnons, Mott-gap excitations, doublon and single-electron in-gap states, and anti-Stokes relaxation during an ultrafast pump. This paper provides a theoretical foundation for existing and future trRIXS experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The application of CFD to rotary wing flow problems

Rotorcraft aerodynamics is especially rich in unsolved problems, and for this reason the need for independent computational and experimental studies is great. Three-dimensional unsteady, nonlinear potential methods are becoming fast enough to enable their use in parametric design studies. At present, combined CAMRAD/FPR analyses for a complete trimmed rotor soltution can be performed in about an hour on a CRAY Y-MP (or ten minutes, with multiple processors). These computational speeds indicate that in the near future many of the large CFD problems will no longer require a supercomputer. The ability to convect circulation is routine for integral methods, but only recently was it discovered how to do the same with differential methods. It is clear that the differential CFD rotor analyses are poised to enter the engineering workplace. Integral methods already constitute a mainstay. Ultimately, it is the users who will integrate CFD into the entire engineering process and provide a new measure of confidence in design and analysis. It should be recognized that the above classes of analyses do not include several major limiting phenomena which will continue to require empirical treatment because of computational time constraints and limited physical understanding. Such empirical treatment should be included, however, into the developing CFD, engineering level analyses. It is likely that properly constructed flow models containing corrections from physical testing will be able to fill in unavoidable gaps in the experimental data base, both for basic studies and for specific configuration testing. For these kinds of applications, computational cost is not an issue. Finally, it should be recognized that although rotorcraft are probably the most complex of aircraft, the rotorcraft engineering community is very small compared to the fixed-wing community. Likewise, rotorcraft CFD resources can never achieve fixed-wing proportions and must be used wisely. Therefore the fixed-wing work must be gleaned for many of the basic methods.

Caradonna, F. X.↗

A new approach to the study of the turbulence layer

Turbulent thermal convection is of considerable importance in fluid dynamical transport phenomena occurring, for example, in the planetary boundary layer of the Earth, the interiors of stars, and accretion disks. In particular, during a significant portion of the evolutionary phase of many stars having convectively unstable cores or outer envelopes, a substantial fraction of energy is transported from the central layers to the outer layers by thermal convection. Moreover, as much of the interior of a star is in highly turbulent motion, a complete theory of stellar structure and evolution requires the explicit consideration of turbulence in order to have expressions for the turbulent quantities arising in the stellar structure equations, and particularly, the turbulent fluxes that appear in the total flux conservation equation, such as the convective flux, kinetic energy flux, etc. A reliable quantification of these fluxes continues to present a challenge in astrophysical fluid dynamics, primarily because astrophysical turbulence is almost always fully-developed and nearly inviscid, and therefore governed by strong nonlinear interactions that distribute the energy among a very wide spectrum of eddies with scales ranging from the characteristic dimension of the flow to those sufficiently small to be affected by viscous dissipation. Furthermore, astrophysical flows are invariably compressible, anisotropic, and inhomogeneous, which requires the consideration of the dynamics of longitudinal modes and their interaction with the transverse modes, as well as complicated boundary conditions. In order to reach a compromise between analytical and numerical tractability and the basic physics of turbulent convection, we have constructed a model of stationary turbulent convection that yields various turbulence statistics, including the convective flux, that are required in stellar evolution models.

Levenson, Ruth A.↗

Bifurcation analysis of aircraft pitching motions near the stability boundary

Bifuraction theory is used to analyze the nonlinear dynamic stability characteristics of an aircraft subject to single degree of freedom pitching-motion perturbations about a large mean angle of attack. The requisite aerodynamic information in the equations of motion is represented in a form equivalent to the response to finite-amplitude pitching oscillations about the mean angle of attack. This information is deduced from the case of infinitesimal-amplitude oscillations. The bifurcation theory analysis reveals that when the mean angle of attack is increased beyond a critical value at which the aerodynamic damping vanishes, new solutions representing finite-amplitude periodic motions bifurcate from the previously stable steady motion. The sign of a simple criterion, cast in terms of aerodynamic properties, determines whether the bifurcating solutions are stable (supercritical) or unstable (subcritical). For flat-plate airfoils flying at supersonic/hypersonic speed, the bifurcation is subcritical, implying either that exchanges of stability between steady and periodic motion are accompanied by hysteresis phenomena, or that potentially large aperiodic departures from steady motion may develop.

Hui, W. H.↗

Critical evaluation of the unsteady aerodynamics approach to dynamic stability at high angles of attack

Bifurcation theory is used to analyze the nonlinear dynamic stability characteristics of an aircraft subject to single-degree-of-freedom. The requisite moment of the aerodynamic forces in the equations of motion is shown to be representable in a form equivalent to the response to finite amplitude oscillations. It is shown how this information can be deduced from the case of infinitesimal-amplitude oscillations. The bifurcation theory analysis reveals that when the bifurcation parameter is increased beyond a critical value at which the aerodynamic damping vanishes, new solutions representing finite amplitude periodic motions bifurcate from the previously stable steady motion. The sign of a simple criterion, cast in terms of aerodynamic properties, determines whether the bifurcating solutions are stable or unstable. For the pitching motion of flat-plate airfoils flying at supersonic/hypersonic speed and for oscillation of flaps at transonic speed, the bifurcation is subcritical, implying either the exchanges of stability between steady and periodic motion are accompanied by hysteresis phenomena, or that potentially large aperiodic departures from steady motion may develop.

Hui, W. H.↗

On Practical Aspects of Variational Consistency in Contact Dynamics

Usage of contact mechanics methodologies is a pervasive modeling requirement in dynamic simulations. While for some trivial problems, solutions taken from analytical geometry are available, use of a finite element framework is common to achieve formulation generality. This work explores two dynamic contact formulations: one based on the traditional node-to-segment (NTS) approach, and a variationally consistent segment-to-segment (STS) mortar formulation. The NTS formulation employed here enforces the constraints kinematically (i.e., the interpenetration is enforced to the solver tolerance), whereas the mortar approach uses Lagrange multipliers to enforce the contact constraints. Both approaches are implemented in the open-source finite element framework Multiphysics Object-Oriented Simulation Environment (MOOSE). The results highlight two relevant contact-interface-related dynamic phenomena in finite element simulations. First, stabilization of contact constraints is discussed, taking into account the evolution of the total energy in a benchmark problem. Second, the influence of finite element discretization on both of the aforementioned contact formulations is analyzed by exercising a large-deformation example with continuous relative sliding. Variationally consistent contact approaches such as the mortar formulation lead to improved energy preservation and avoid spurious excitation of the system's frequencies. This is especially relevant in settings where inertia and vibrations are of importance.

42 ENGINEERING↗

Machine-learning based model reduction for partial differential equations

We develop a novel synergistic approach between model reduction and machine learning. The specific goal of this project is to aid in the construction of reduced order models for basis functions that are custom-made to represent the solution of partial differential equations. Partial differential equations (PDEs) are one of the main mathematical tools for describing physical phenomena. However, due to either efficiency or necessity, for many real-world problems, we are interested in constructing reduced order models (ROMs) which focus only on the explicit computation of subsets of the active spatio-temporal scales in the problem, while treating the interaction with the rest of the scales approximately. The task of accurate representation of such interactions (usually called memory terms) constitutes a vast area of research known as model reduction. PI Stinis has significant expertise in the construction of ROMs for complex systems. In addition, in recent work with the project key participant Qadeer, they have utilized machine learning to acquire custom-made basis functions (CBFs) to expand the solutions of PDEs. In the proposed work, we will merge the two concepts by constructing ROMs for subsets of the CBFs needed to represent the solution of a PDE. Specifically, we will use the Mori-Zwanzig model reduction formalism to construct ROMs for subsets of CBFs for nonlinear PDEs of various complexity, as well as investigate the usage of CBFs in the spectral vanishing viscosity method for problems that can form shocks in finite time. The outcome of the research is aimed to be proof-of-concept about a novel synergistic approach between model reduction and machine learning, thus advancing the field of scientific machine learning. Such a capability will benefit the efficient modeling of physical systems appearing in various areas of interest to the DOE.

97 MATHEMATICS AND COMPUTING↗

Berry curvature memory through electrically driven stacking transitions

In two-dimensional layered quantum materials, the interlayer stacking order determines both crystalline symmetry and quantum electronic properties such as Berry curvature, topology and electron correlation. Electrical stimuli can strongly influence quasi-particle interactions and the free energy landscape, thus making it possible to access hidden stacking orders with novel quantum properties and enabling dynamic engineering of these attributes. In this paper, we demonstrate electrically driven stacking transitions and a new type of nonvolatile memory based on Berry curvature in few-layer WTe 2 . The interplay of out-of-plane electric fields and electrostatic doping controls in-plane interlayer sliding and creates multiple polar and centrosymmetric stacking orders. In-situ nonlinear Hall transport reveals such stacking rearrangements result in a layer-parity-selective Berry curvature memory in momentum space, where the sign reversal of the Berry curvature only occurs in odd layer crystals. Our findings open an avenue towards exploring coupling between topology, electron correlations, and ferroelectricity in hidden stacking orders and demonstrate a new low energy cost, electrically-controlled topological memory in the atomically thin limit.

36 MATERIALS SCIENCE↗

A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.

The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.

Freed, Alan D.↗

Semi-Implicit Computation of Fast Modes in a Scheme Integrating Slow Modes by a Leapfrog Method Based on a Selective Implicit Time Filter

Abstract A scheme for integration of atmospheric equations containing terms with differing time scales is developed. The method employs a filtered leapfrog scheme utilizing a fourth-order implicit time filter with one function evaluation per time step to compute slow-propagating phenomena such as advection and rotation. The terms involving fast-propagating modes are handled implicitly with an unconditionally stable method that permits application of larger time steps and faster computations compared to fully explicit treatment. Implementation using explicit and recurrent formulation is provided. Stability analysis demonstrates that the method is conditionally stable for any combination of frequencies involved in the slow and fast terms as they approach the origin. The implicit filter used in the method damps the computational modes without noticeably sacrificing the accuracy of the physical mode. TheO[(Δt 4 )] accuracy for amplitude errors achieved by the implicitly filtered leapfrog is preserved in applications where terms responsible for fast propagation are integrated with a semi-implicit method. Detailed formulation of the method for soundproof nonhydrostatic anelastic equations is provided. Procedures for implementation in global spectral shallow-water models are also given. Examples comparing numerical and analytical solutions for linear gravity waves demonstrate the accuracy of the scheme. The performance is also shown in more practical nonlinear applications, where numerical solutions accomplished by the method are evaluated against those computed from a scheme where the slow terms are handled by the third-order Runge–Kutta scheme. It demonstrates that the method is able to accurately resolve fine-scale dynamics of Kelvin–Helmholtz shear instabilities, the evolution of density current, and nonlinear drifts of twin tropical cyclones.

Meteorology & Atmospheric Sciences↗

System Identification of Damped Truss-Like Space Structures

A spacecraft payload flown on a launch vehicle experiences dynamic loads. The dynamic loads are caused by various phenomena ranging from the start-up of the launch vehicle engine to wind gusts. A spacecraft payload should be designed to meet launch vehicle dynamic loads. One of the major steps taken towards determining the dynamic loads is to correlate the finite element model of the spacecraft with the test results of a modal survey test. A test-verified finite element model of the spacecraft should possess the same spatial properties (stiffness, mass, and damping) and modal properties (frequencies and mode shapes) as the test hardware representing the spacecraft. The test-verified and correlated finite element model of the spacecraft is then coupled with the finite element model of the launch vehicle for analysis of loads and stress. Modal survey testing, verification of a finite element model, and modification of the finite element model to match the modal survey test results can easily be accomplished if the spacecraft structure is simple. However, this is rarely the case. A simple structure here is defined as a structure where the influence of nonlinearity between force and displacement (uncertainty in a test, for example, with errors in input and output), and the influence of damping (structural, coulomb, and viscous) are not pronounced. The objective of this study is to develop system identification and correlation methods with the focus on the structural systems that possess nonproportional damping. Two approaches to correct the nonproportional damping matrix of a truss structure were studied, and have been implemented on truss-like structures such as the National Aeronautics and Space Administration's space station truss. The results of this study showed nearly 100 percent improvement of the correlated eigensystem over the analytical eigensystem. The first method showed excellent results with up to three modes used in the system identification process. The second method could handle more modes, but required more computer usage time, and the results were less accurate than those of the first method.

Armand, Sasan↗