Exploring the internal structure of soot particles using nanoindentation : a reactive molecular dynamics study

• Main Authors: Pascazio, Laura, Martin, Jacob W., Bowal, Kimberly, Akroyd, Jethro, Kraft, Markus
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2021
• Subjects: Engineering::Chemical engineering; Molecular Dynamics; Reactive Force Field
• Online Access: https://hdl.handle.net/10356/152304
• Institution: Nanyang Technological University

The mechanical properties and internal structure of soot nanoparticles is investigated using reactive molecular dynamics simulations of nanoindenting model soot particles. The particles that are provided as inputs to the simulations are generated using reactive molecular dynamics to create 3D networ...