The maximum likelihood ensemble filter for computational flame and fluid dynamics

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2021-06-01 DOI:10.1093/imamat/hxab010
Yijun Wang;Stephen Guzik;Milija Zupanski;Xinfeng Gao
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引用次数: 1

Abstract

The numerical solution of partial differential equations that govern fluid dynamics with turbulence and combustion is challenging due to the multiscale nature of the dynamical system and the need to resolve small-scale physical features. In addition, the uncertainties in the dynamical system, including those in the physical models and parameters, initial and boundary conditions and numerical methods, impact the computational fluid dynamics (CFD) prediction of turbulence and chemical reactions. To improve the CFD prediction, this study focuses on the development and application of a maximum likelihood ensemble filter (MLEF), an ensemble-based data assimilation (DA), for flows featuring combustion and/or turbulence. MLEF finds the optimal analysis and its uncertainty by maximizing the posterior probability density function. The novelty of the study lies in the combination of advanced DA and CFD methods for a new comprehensive application to predict engineering fluid dynamics. The study combines important aspects, including an ensemble-based DA with analysis and uncertainty estimation, an augmented control vector that simultaneously adjusts initial conditions and model empirical parameters and an application of DA to CFD modeling of combustion and flows with complex geometry. The DA performance is validated by a turbulent Couette flow. The new CFD–DA system is then applied to solve the time-evolving shear-layer mixing with methane-air combustion and the turbulent flow over a bluff-body geometry. Results demonstrate the improvement of estimates of model parameters and the uncertainty reduction in initial conditions (ICs) for CFD modeling of flames and flows by the MLEF method.
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计算火焰与流体动力学的最大似然集合滤波器
由于动力学系统的多尺度性质和解决小尺度物理特征的需要,控制湍流和燃烧流体动力学的偏微分方程的数值求解具有挑战性。此外,动力学系统中的不确定性,包括物理模型和参数、初始和边界条件以及数值方法中的不确定因素,影响湍流和化学反应的计算流体动力学(CFD)预测。为了改进CFD预测,本研究重点开发和应用最大似然集合滤波器(MLEF),一种基于集合的数据同化(DA),用于以燃烧和/或湍流为特征的流动。MLEF通过最大化后验概率密度函数来找到最优分析及其不确定性。该研究的新颖之处在于将先进的DA和CFD方法相结合,为预测工程流体动力学提供了新的综合应用。该研究结合了重要方面,包括基于集成的DA与分析和不确定性估计,同时调整初始条件和模型经验参数的增强控制向量,以及DA在复杂几何形状的燃烧和流动CFD建模中的应用。通过湍流Couette流验证了DA性能。然后,将新的CFD–DA系统应用于求解随时间变化的剪切层与甲烷-空气燃烧的混合以及钝体几何形状上的湍流。结果表明,使用MLEF方法对火焰和流动进行CFD建模,可以改进模型参数的估计,并降低初始条件(IC)的不确定性。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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