Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Gaining insights into combustion processes is challenging due to the complex reactions involved. The present work proposes a neural network potential model trained to ab initio data that enables to simulate the combustion of methane by predicting reactants, products and reaction intermediates.

Guardado en:
Detalles Bibliográficos
Autores principales: Jinzhe Zeng, Liqun Cao, Mingyuan Xu, Tong Zhu, John Z. H. Zhang
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
Materias:
Q
Acceso en línea:https://doaj.org/article/21133458a20b4ec9a9fdc67225b9d5a7
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!