March 17, 2022
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Paving the way to tailor-made carbon nanomaterials and more accurate energetic materials modeling

Anne M. Stark/LLNL

To better understand how carbon nanomaterials could be tailor-made and how their formation impacts shock phenomena such as detonation, LLNL scientists conducted machine-learning-driven atomistic simulations to provide insight into the fundamental processes controlling the formation of nanocarbon materials, which could serve as a design tool, help guide experimental efforts and enable more accurate energetic materials modeling. “The results provide direct insight into carbon condensation in a representative system and pave the way for its exploration in higher complexity organic materials, including explosives,” said LLNL researcher Rebecca Lindsey, co-lead author of the corresponding paper appearing in Nature Communications. Read more at LLNL News.