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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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Parametric model-order-reduction development for unsteady convection

A time-averaged error indicator with POD- h Greedy is developed to drive parametric model order reduction (pMOR) for 2D unsteady natural convection in a high-aspect ratio slot parameterized with the Prandtl number, Rayleigh number, and slot angle with respect to the gravity. The error indicator is extended to accommodate the energy equation and Leray regularization. Despite being two-dimensional and laminar, the target flow regime presents several challenges: 1) there is a bifurcation in the angle parameter space; 2) the solution can be multivalued, even at steady state; and 3) the solution exhibits spatio-temporal chaos at several points in the parameter space. The authors explore several reduced-order models (ROMs) and demonstrate that Leray-regularized Galerkin ROMs provide a robust solution approach for this class of flows. They further demonstrate that error-indicated pMOR can efficiently predict several QOIs, such as mean flow, mean Nusselt number and mean turbulent kinetic energy, even in the presence of a bifurcation. Finally, they show that spatio-temporal chaos can lead to lack of reproducibility in both the full-order model and the reduced-order model and that the variance in the full-order model provides a lower bound on the pMOR error in these cases.

leray regularization↗

Research highlights: June 1990 - May 1991

Linear instability calculations at MSFC have suggested that the Geophysical Fluid Flow Cell (GFFC) should exhibit classic baroclinic instability at accessible parameter settings. Interest was in the mechanisms of transition to temporal chaos and the evolution of spatio-temporal chaos. In order to understand more about such transitions, high resolution numerical experiments for the physically simplest model of two layer baroclinic instability were conducted. This model has the advantage that the numerical code is exponentially convergent and can be efficiently run for very long times, enabling the study of chaotic attractors without the often devastating effects of low-order trunction found in many previous studies. Numerical algorithms for implementing an empirical orthogonal function (EOF) analysis of the high resolution numerical results were completed. Under conditions of rapid rotation and relatively low differential heating, convection in a spherical shell takes place as columnar banana cells wrapped around the annular gap, but with axes oriented along the axis of rotation; these were clearly evident in the GFFC experiments. The results of recent numerical simulations of columnar convection and future research plans are presented.

Source record↗

The route to chaos for the Kuramoto-Sivashinsky equation

The results of extensive numerical experiments of the spatially periodic initial value problem for the Kuramoto-Sivashinsky equation. This paper is concerned with the asymptotic nonlinear dynamics at the dissipation parameter decreases and spatio-temporal chaos sets in. To this end the initial condition is taken to be the same for all numerical experiments (a single sine wave is used) and the large time evolution of the system is followed numerically. Numerous computations were performed to establish the existence of windows, in parameter space, in which the solution has the following characteristics as the viscosity is decreased: a steady fully modal attractor to a steady bimodal attractor to another steady fully modal attractor to a steady trimodal attractor to a periodic attractor, to another steady fully modal attractor, to another periodic attractor, to a steady tetramodal attractor, to another periodic attractor having a full sequence of period-doublings (in parameter space) to chaos. Numerous solutions are presented which provide conclusive evidence of the period-doubling cascades which precede chaos for this infinite-dimensional dynamical system. These results permit a computation of the length of subwindows which in turn provide an estimate for their successive ratios as the cascade develops. A calculation based on the numerical results is also presented to show that the period doubling sequences found here for the Kuramoto-Sivashinsky equation, are in complete agreement with Feigenbaum's universal constant of 4,669201609... . Some preliminary work shows several other windows following the first chaotic one including periodic, chaotic, and a steady octamodal window; however, the windows shrink significantly in size to enable concrete quantitative conclusions to be made.

Papageorgiou, Demetrios T.↗

The route to chaos for the Kuramoto-Sivashinsky equation

The results of extensive numerical experiments of the spatially periodic initial value problem for the Kuramoto-Sivashinsky equation. This paper is concerned with the asymptotic nonlinear dynamics at the dissipation parameter decreases and spatio-temporal chaos sets in. To this end the initial condition is taken to be the same for all numerical experiments (a single sine wave is used) and the large time evolution of the system is followed numerically. Numerous computations were performed to establish the existence of windows, in parameter space, in which the solution has the following characteristics as the viscosity is decreased: a steady fully modal attractor to a steady bimodal attractor to another steady fully modal attractor to a steady trimodal attractor to a periodic attractor, to another steady fully modal attractor, to another periodic attractor, to a steady tetramodal attractor, to another periodic attractor having a full sequence of period-doublings (in parameter space) to chaos. Numerous solutions are presented which provide conclusive evidence of the period-doubling cascades which precede chaos for this infinite-dimensional dynamical system. These results permit a computation of the length of subwindows which in turn provide an estimate for their successive ratios as the cascade develops. A calculation based on the numerical results is also presented to show that the period doubling sequences found here for the Kuramoto-Sivashinsky equation, are in complete agreement with Feigenbaum's universal constant of 4,669201609 .... Some preliminary work shows several other windows following the first chaotic one including periodic, chaotic, and a steady octamodal window; however, the windows shrink significantly in size to enable concrete quantitative conclusions to be made.

Papageorgiou, Demetrios T.↗

Excitons: Energetics and spatiotemporal dynamics

The concept of an exciton as a quasiparticle that represents collective excited states was originally adapted from solid-state physics and has been successfully applied to molecular aggregates by relying on the well-established limits of the Wannier exciton and the Frenkel exciton. However, the study of excitons in more complex chemical systems and solid materials over the past two decades has made it clear that simple concepts based on Wannier or Frenkel excitons are not sufficient to describe detailed excitonic behavior, especially in nano-structured solid materials, multichromophoric macromolecules, and complex molecular aggregates. In addition, important effects such as vibronic coupling, the influence of charge-transfer (CT) components, spin-state interconversion, and electronic correlation, which had long been studied but not fully understood, have turned out to play a central role in many systems. This has motivated new experimental approaches and theoretical studies of increasing sophistication. This article provides an overview of works addressing these issues that were published for A Special Topic of the Journal of Chemical Physics on ``Excitons: Energetics and spatio-temporal dynamics" and discusses their implications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating Mean State Cloud Properties in the Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM)

Accurately simulating clouds remains a key challenge in global climate models, primarily because cloud formation involves sub-grid processes that are parameterized and crudely represented in models. This study examines the performance of DOE's Simple Cloud-Resolving Energy Exascale Earth System (E3SM) Atmosphere Model (SCREAM) in simulating cloud properties and their spatio-temporal distribution by comparing against satellite observations. Two horizontal resolutions of SCREAM (3 and 12 km) are examined, and both depict a realistic spatial structure of mean-state cloud cover but underestimate its global mean magnitude. SCREAM 3 km reasonably reproduces the distribution of mean-state cloud properties across various cloud optical thickness and cloud-top pressure regimes, with performance comparable to CMIP5 and CMIP6 ensemble and marginally outperforming SCREAM 12 km. Still, SCREAM 3 km tends to underpredict low clouds and optically thin clouds, highlighting the need for continued improvement in representing unresolved processes. This study provides a basis for confidence in the representation of clouds in SCREAM, as simulating mean-state clouds is a necessary prerequisite for trusting its cloud responses to changes in aerosols and greenhouse gases.

Geosciences↗