Enhanced thermal characterization of silica aerogels through molecular dynamics simulation

• Main Authors: Yeo, Jing Jie, Liu, Z. S., Ng, Teng Yong
• Other Authors: School of Mechanical and Aerospace Engineering
• Format: Article
• Language: English
• Published: 2016
• Online Access: https://hdl.handle.net/10356/82146; http://hdl.handle.net/10220/41097
• Institution: Nanyang Technological University

Porous structures of silica aerogels are generated using classical molecular dynamics, with the Tersoff potential, which has been re-parametrized for modeling silicon dioxides. This work demonstrates that this potential is superior to the widely used BKS potential in terms of characterizing the ther...