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Experimental studies of soot particles showed that the intensity ratio of amorphous and graphite layers measured by Raman spectroscopy correlates to soot oxidation reactivities, which is very important for regeneration of the diesel particulate filters and gasoline particulate filters. This physical mechanism is absent in all soot models. In the present paper, a novel two-layer soot model was proposed that considers the amorphous and graphite layers in the soot particles. The soot model considers soot inception, soot surface growth, soot oxidation by O2 and OH, and soot coagulation. It is assumed that amorphous-type soot forms from fullerene. No soot coagulation is considered in the model between the amorphous- and graphitic-types of soot. Benzene is taken as the soot precursor, which is formed from acetylene. The model was implemented into a commercial CFD software CONVERGE using user defined functions. A diesel engine case was simulated.

Machine learning methods, such as decision trees and deep neural networks, are becoming increasingly important and useful for data analysis in various scientific fields including dynamics and control, signal processing, pattern recognition, fluid mechanics, and chemical synthesis, etc. For future engine design and performance optimization, there is an urgent need for a robust predictive model which could capture the major combustion properties such as autoignition and flame propagation of multicomponent fuels under a wide range of engine operating conditions, without massive experimental measurement or computational efforts. It will be shown that these long-held limitations and challenges related to complex fuel combustion and engine research could be readily solved by implementing machine learning methods.

Lithium-ion (Li-ion) batteries and issues related to their thermal management and safety have been attracting extensive research interests. In this work, based on a recent thermal chemistry model, the phenomena of thermal runaway induced by a transient internal heat source are computationally investigated using a three-dimensional (3D) model built in COMSOL Multiphysics 5.3. Incorporating the anisotropic heat conductivity and typical thermal chemical parameters available from literature, temperature evolution subject to both heat transfer from an internal source and the activated internal chemical reactions is simulated in detail. This paper focuses on the critical runaway behavior with a delay time around 10s. Parametric studies are conducted to identify the effects of the heat source intensity, duration, geometry, as well as their critical values required to trigger thermal runaway.