2 resultados para Computational Simulator
em Duke University
Resumo:
In this dissertation, we develop a novel methodology for characterizing and simulating nonstationary, full-field, stochastic turbulent wind fields.
In this new method, nonstationarity is characterized and modeled via temporal coherence, which is quantified in the discrete frequency domain by probability distributions of the differences in phase between adjacent Fourier components.
The empirical distributions of the phase differences can also be extracted from measured data, and the resulting temporal coherence parameters can quantify the occurrence of nonstationarity in empirical wind data.
This dissertation (1) implements temporal coherence in a desktop turbulence simulator, (2) calibrates empirical temporal coherence models for four wind datasets, and (3) quantifies the increase in lifetime wind turbine loads caused by temporal coherence.
The four wind datasets were intentionally chosen from locations around the world so that they had significantly different ambient atmospheric conditions.
The prevalence of temporal coherence and its relationship to other standard wind parameters was modeled through empirical joint distributions (EJDs), which involved fitting marginal distributions and calculating correlations.
EJDs have the added benefit of being able to generate samples of wind parameters that reflect the characteristics of a particular site.
Lastly, to characterize the effect of temporal coherence on design loads, we created four models in the open-source wind turbine simulator FAST based on the \windpact turbines, fit response surfaces to them, and used the response surfaces to calculate lifetime turbine responses to wind fields simulated with and without temporal coherence.
The training data for the response surfaces was generated from exhaustive FAST simulations that were run on the high-performance computing (HPC) facilities at the National Renewable Energy Laboratory.
This process was repeated for wind field parameters drawn from the empirical distributions and for wind samples drawn using the recommended procedure in the wind turbine design standard \iec.
The effect of temporal coherence was calculated as a percent increase in the lifetime load over the base value with no temporal coherence.
Resumo:
In the last two decades, the field of homogeneous gold catalysis has been
extremely active, growing at a rapid pace. Another rapidly-growing field—that of
computational chemistry—has often been applied to the investigation of various gold-
catalyzed reaction mechanisms. Unfortunately, a number of recent mechanistic studies
have utilized computational methods that have been shown to be inappropriate and
inaccurate in their description of gold chemistry. This work presents an overview of
available computational methods with a focus on the approximations and limitations
inherent in each, and offers a review of experimentally-characterized gold(I) complexes
and proposed mechanisms as compared with their computationally-modeled
counterparts. No aim is made to identify a “recommended” computational method for
investigations of gold catalysis; rather, discrepancies between experimentally and
computationally obtained values are highlighted, and the systematic errors between
different computational methods are discussed.