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At least 1,099 records · Page 61

Large-scale variations in ozone from the first two years of UARS MLS data

Two years of stratospheric measurements of ozone from the Upper Atmosphere Research Satellite (UARS) Microwave Limb Sounder (MLS) are examined in order to characterize large horizontal scale wave variations. The use of Fourier analysis allows the detection of variations from daily through seasonal and interannual timescales. High-latitude winter variations at 10 hPa often have very large amplitudes, but smaller midlatitude variations are more ubiquitous. Some variations have the characteristics of locally generated instabilities. Correlations of wave features with changes in the zonal-mean ozone at 10 hPa suggest the presence of significant horizontal motions during strong wintertime polar warming events. Such correlations are not evident at other levels. Spectral analysis of the large-scale variations show most waves to be slowly propagating. In contrast to some past observations, equatorial regions are shown to lack large amplitude wave events.

Elson, Lee S.↗

Large-scale application of free energy perturbation calculations for antibody design

Abstract Alchemical free energy perturbation (FEP) is a rigorous and powerful technique to calculate the free energy difference between distinct chemical systems. Here we report our implementation of automated large-scale FEP calculations, using the Amber software package, to facilitate antibody design and evaluation. In combination with Hamiltonian replica exchange, our FEP simulations aim to predict the effect of mutations on both the binding affinity and the structural stability. Importantly, we incorporate multiple strategies to faithfully estimate the statistical uncertainties in the FEP results. As a case study, we apply our protocols to systematically evaluate variants of the m396 antibody for their conformational stability and their binding affinity to the spike proteins of SARS-CoV-1 and SARS-CoV-2. By properly adjusting relevant parameters, the particle collapse problems in the FEP simulations are avoided. Furthermore, large statistical errors in a small fraction of the FEP calculations are effectively reduced by extending the sampling, such that acceptable statistical uncertainties are achieved for the vast majority of the cases with a modest total computational cost. Finally, our predicted conformational stability for the m396 variants is qualitatively consistent with the experimentally measured melting temperatures. Our work thus demonstrates the applicability of FEP in computational antibody design.

59 BASIC BIOLOGICAL SCIENCES↗

Is Large-Scale Low-Frequency Variability Satisfying Linear Barotropic Vorticity Dynamics?

What is the dynamics governing the sea level variabilities at spatial scales larger than the mesoscale and periods longer than a few weeks? This question is investigated using the TOPEX/POSEIDON altimetry data. For periods shorter than a decade, it is believed that the large-scale variabilities in the open ocean should be barotropic and can be described by the barotropic vorticity equation. To avoid the error-sensitive Laplacian operator, the above equation was integrated over a large area. Preliminary analysis was performed in the northeastern Pacific, where the eddy energy is relatively low and the bathymetry is relatively smooth. Good correlation between the two sides of the equation was obtained at periods longer than 60 days. The largest error in the data is suspected to be the ocean tides. Empirical correction for the ocean tides will be performed for further analysis. Preliminary results of a global calculation will be presented.

Fu, Lee-Lueng↗

Large-scale harmonic balance simulations with Krylov subspace and preconditioner recycling

The multi-harmonic balance method combined with numerical continuation provides an efficient framework to compute a family of time-periodic solutions, or response curves, for large-scale, nonlinear mechanical systems. The predictor and corrector steps repeatedly solve a sequence of linear systems that scale by the model size and number of harmonics in the assumed Fourier series approximation. In this paper, a novel Newton–Krylov iterative method is embedded within the multi-harmonic balance and continuation algorithm to efficiently compute the approximate solutions from the sequence of linear systems that arise during the prediction and correction steps. Further, the method recycles, or reuses, both the preconditioner and the Krylov subspace generated by previous linear systems in the solution sequence. A delayed frequency preconditioner refactorizes the preconditioner only when the performance of the iterative solver deteriorates. The GCRO-DR iterative solver recycles a subset of harmonic Ritz vectors to initialize the solution subspace for the next linear system in the sequence. The performance of the iterative solver is demonstrated on two exemplars with contact-type nonlinearities and benchmarked against a direct solver with traditional Newton–Raphson iterations.

97 MATHEMATICS AND COMPUTING↗

Large-scale cyclogenesis

The development of several major cases of persistent negative height anomalies over the extratropical central North Pacific and eastern North Atlantic regions was investigated. These events were manifested at the surface by the development of large-scale cyclonic circulations and, at upper levels, by the formation of anomalously intense zonal jets. The data for the analyses were obtained from the twice-daily NMC final analyses of Northern Hemisphere sea-level pressure as well as geopotential heights, winds, and temperatures at all standard levels from 1000 mb to 100 mb for the fourteen winter seasons from years 1963-1964 through 1976-1977. The results indicate that, in many cases of cyclogenesis, baroclinic processes are likely to play an important role in the initial developments. At later stages, barotropic processes also provide significant contributions and play a role in the maintenance of the anomalies once they are established.

Dole, Randall M.↗

Redox-Based Chemical Looping Large-Scale Air Separation Unit Designs Using Perovskite Material

Oxygen production by means of air separation through redox cycle reactions of Sr 1–x Ca x FeO 3-δ perovskite particles is examined numerically in the context of modular large-scale units. Fixed-bed, multicomponent reactor designs allowing for the recovery of the energy released by the exothermic oxidation (or adsorption) to enhance the endothermic reduction (or desorption) of the perovskite material are considered and compared against a baseline cylindrical packed bed. Numerically, the gas–solid reacting system is approximated as a single-phase reacting gas flow through a porous medium of constant porosity. The redox kinetics account for the oxygen nonstoichiometry of the perovskite, which exhibits a dependence on the temperature and the oxygen partial pressure, in order to describe some mechanisms of the oxygen vacancies. Results show that the spontaneous release of the oxygen from the lattice arrangements, through the thermal management of the heat of the oxidation reaction from the geometrical design of the reactors, can be enhanced up to 4% with respect to the baseline oxygen production of 0.201 g O 2 ·h –1 ·g perovskite –1 with the cylindrical packed bed, in the condition of operations in this work, at 500 °C. Sensitivity to the operation temperature showed that the oxygen production is greatly enhanced by approximately 30% with the increase of the temperature from 500 to 550 °C. We report this result is consistent with experimental observations of faster release of the oxygen from the lattice arrangements of this perovskite at 550 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Large-scale systems - Stability, complexity, reliability

This paper establishes the connective stability concept in the framework of the comparison principle and vector Liapunov functions, as a natural setting for resolving the complexity vs reliability problem in the control of large-scale dynamic systems. The central result is the following: a stable complex system when composed as a competitive structure of the interconnected stable subsystems remains stable despite the on-off participation of the subsystems. This result is important in that it can be used efficiently to synthesize reliable complex systems by multilevel feedback control.

Siljak, D. D.↗

The effects of inlet turbulence and rotor/stator interactions on the aerodynamics and heat transfer of a large-scale rotating turbine model. Part 4: Aerodynamic data tabulation

A combined experimental and analytical program was conducted to examine the effects of inlet turbulence and airfoil heat transfer. The experimental portion of the study was conducted in a large-scale (approx. 5X engine), ambient temperature, rotating turbine model configured in both single-stage and stage-and-a-half arrangements. Heat transfer measurements were obtained using low-conductivity airfoils with miniature thermocouples welded to a thin, electrically heated surface skin. Heat transfer data were acquired for various combinations of low or high inlet turbulence intensity, flow coefficient, first stator-rotor axial spacing, Reynolds number and relative circumferential position of the first and second stators. Aerodynamic measurements obtained include distributions of the mean and fluctuating velocities at the turbine inlet and, for each airfoil row, midspan airfoil surface pressures and circumferential distributions of the downstream steady state pressures and fluctuating velocities. Results include airfoil heat transfer predictions produced using existing 2-D boundary layer computation schemes and an examination of solutions of the unsteady boundary layer equations.

Dring, R. P.↗

A bi-level advanced control framework for large-scale control of buildings with system-level impact

Increased electricity consumption combined with new forms of generation is testing the reliability of our grid infrastructure. This work describes a method to improve the reliability of the grid through large-scale advanced building control. This paper develops a bi-level distributed control framework to shift the load of 153 buildings to achieve a system-level objective of tracking a power reference signal. This bi-level control is based on the previously-developed ANPV-MPC, a predictive controller that uses a Bayesian neural network to generate an accurate control model and adapt to changing conditions over time. By shifting the building electricity demand to better match the available power, the grid system supplying the buildings is more reliable as evidenced by the analysis of node voltages across an IEEE 13-bus distribution system. The proposed bi-level control framework tracks the system-level power reference with enough accuracy to regulate node voltages across the IEEE 13-bus distribution system within ANSI limits of ±5%. Additionally, the adaptive nature of ANPV-MPC allows each building across the system to adapt to changing conditions, further amplifying the system-level reliability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

One hundred years into the study of ecotypes, new advances are being made through large-scale field experiments in perennial plant systems

A hundred years after Turesson first clearly described how locally adaptive variation is distributed within species, plant biologists are making major breakthroughs in our understanding of mechanisms underlying adaptation from local populations to the scale of continents. Although the genetics of local adaptation has typically been studied in smaller reciprocal transplant experiments, here it is being evaluated with whole genomes in large-scale networks of common garden experiments with perennial switchgrass and poplar trees. These studies support the hypothesis that a complex combination of loci, both with and without adaptive trade-offs, underlies local adaptation and that hybridization and adaptive introgression play a key role in the evolution of these species. Future studies incorporating high-throughput phenotyping, gene expression, and modeling will be used to predict responses of these species to climate change.

Trade-off↗

Aerodynamic characteristics of a large-scale model with a swept wing and a jet flap having an expandable duct

The data from an investigation of the aerodynamic characteristics of the expandable duct-jet flap concept are presented. The investigation was made using a large-scale model in the Ames 40- by 80-foot Wind Tunnel. The expandable duct-jet flap concept uses a lower surface, split flap and an upper surface, Fowler flap to form an internal, variable area cavity for the blowing air. Small amounts of blowing are used on the knee of the upper surface flap and the knee of a short-chord, trailing edge control flap. The bulk of the blowing is at the trailing edge. The flap could extend the full span of the model wing or over the inboard part only, with blown ailerons outboard. Primary configurations tested were two flap angles, typical of takeoff and landing; symmetric control flap deflections, primarily for improved landing performance; and asymmetric aileron and control flap deflections, for lateral control.

Aiken, T. N.↗

Compression Buckling Behavior of Large-Scale Friction Stir Welded and Riveted 2090-T83 Al-Li Alloy Skin-Stiffener Panels

To evaluate the potential of friction stir welding (FSW) as a replacement for traditional rivet fastening for launch vehicle dry bay construction, a large-scale friction stir welded 2090-T83 aluminum-lithium (Al-Li) alloy skin-stiffener panel was designed and fabricated by Lockheed-Martin Space Systems Company - Michoud Operations (LMSS) as part of NASA Space Act Agreement (SAA) 446. The friction stir welded panel and a conventional riveted panel were tested to failure in compression at the NASA Langley Research Center (LaRC). The present paper describes the compression test results, stress analysis, and associated failure behavior of these panels. The test results provide useful data to support future optimization of FSW processes and structural design configurations for launch vehicle dry bay structures.

Hoffman, Eric K.↗

Large-Scale Grid Models: Synthetic Data and Co-Simulation

Power grid modernization and wide-spread distributed energy resource (DER) integration are driving an explosion of interest in advanced algorithms and new optimization schemes. However, there has historically been a lack of open-access realistically sized and detailed datasets-particularly for the distribution system-and simulation tools able to model these systems. This talk will present recent advances with very large-scale (>>1M nodes) distribution data sets and the use of co-simulation to tractably model large integrated transmission-distribution grids and their interactions with new controls/optimization.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Determination of bulk properties of tropical cloud clusters from large scale heat and moisture budgets, appendix B

The bulk properties of tropical cloud clusters, as the vertical mass flux, the excess temperature, and moisture and the liquid water content of the clouds, are determined from a combination of the observed large-scale heat and moisture budgets over an area covering the cloud cluster, and a model of a cumulus ensemble which exchanges mass, heat, vapor and liquid water with the environment through entrainment and detrainment. The method also provides an understanding of how the environmental air is heated and moistened by the cumulus convection. An estimate of the average cloud cluster properties and the heat and moisture balance of the environment, obtained from 1956 Marshall Islands data, is presented.

Yanai, M.↗

Orogeny and large-scale strike-slip faulting on Venus - Tectonic evolution of Maxwell Montes

Complementary data sets from the Arecibo and Venera 15/16 imaging radar systems are used here to produce geologic and structural maps of the Maxwell Montes, a region of large-scale strike-slip faulting on Venus. The maps are compared with the characteristics of other linear mountain belts. The tectonic deformation occurring in Maxwell Montes is assessed, identifying the structural elements, their tectonic origin, and their sequence. A geologic and tectonic chronology is developed and a model for the origin and evolution of Maxwell Montes is proposed.

Vorder Bruegge, R. W.↗