论文标题

物理知情的化学制表机器学习

Physics Informed Machine Learning for Chemistry Tabulation

论文作者

Salunkhe, Amol, Deighan, Dwyer, Desjardin, Paul, Chandola, Varun

论文摘要

湍流燃烧系统的建模需要对基础化学和湍流进行建模。同时解决这两个系统的计算效果是过时的。取而代之的是,鉴于两个子系系统进化的比例差异,两个子系统通常是分开求解的。流行的方法,例如火焰产生的歧管(FGM),使用两步策略,在该策略中,治理反应动力学被预先计算并映射到低维的歧管,其特征是一些反应进度变量(模型降低),然后在运行时估算``运行时间'''''''''''''''''''''''''''''''''''''''尽管现有作品专注于这两个步骤,但在这项工作中,我们表明对进度变量的联合学习和外观(UP模型)可以产生更准确的结果。我们基于基本公式和实现ChemTAB,以包括动态生成的主化学状态变量(较低的动态源项)。我们讨论了这种深度神经网络体系结构实施的挑战,并在实验上证明了它的卓越性能。

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two sub-systems evolve, the two sub-systems are typically (re)solved separately. Popular approaches such as the Flamelet Generated Manifolds (FGM) use a two-step strategy where the governing reaction kinetics are pre-computed and mapped to a low-dimensional manifold, characterized by a few reaction progress variables (model reduction) and the manifold is then ``looked-up'' during the runtime to estimate the high-dimensional system state by the flow system. While existing works have focused on these two steps independently, in this work we show that joint learning of the progress variables and the look--up model, can yield more accurate results. We build on the base formulation and implementation ChemTab to include the dynamically generated Themochemical State Variables (Lower Dimensional Dynamic Source Terms). We discuss the challenges in the implementation of this deep neural network architecture and experimentally demonstrate it's superior performance.

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