A Molecular Dynamics Simulation of the Influence of Defect on the Melting of Amorphous Silica

Haijun Ji, Xiaofang Wang, Huiran Li, Zhiyuan Li, Xinlu Cheng

2018

Abstract

In this paper, the influence of defect on the melting process of amorphous silica has been studied using molecular dynamics simulations. Using the bond evolution, it can be found that the melting process is intimately related to the formation of defect. Meanwhile, there are some differences in the melting process between the defected and undefected amorphous silica models. In addition, the pre-existing defect (void) contributes to the damage of SiO2 materials. And the glass transition temperature can be effectively reduced, when the defects meet certain concentration.

Paper Citation

in Harvard Style

Ji H., Wang X., Li H., Li Z. and Cheng X. (2018). A Molecular Dynamics Simulation of the Influence of Defect on the Melting of Amorphous Silica.In The Second International Conference on Materials Chemistry and Environmental Protection - MEEP, ISBN 978-989-758-360-5, pages 193-198. DOI: 10.5220/0008187501930198

in Bibtex Style

@conference{meep18,
author={Haijun Ji and Xiaofang Wang and Huiran Li and Zhiyuan Li and Xinlu Cheng},
title={A Molecular Dynamics Simulation of the Influence of Defect on the Melting of Amorphous Silica},
booktitle={The Second International Conference on Materials Chemistry and Environmental Protection - MEEP,},
year={2018},
pages={193-198},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0008187501930198},
isbn={978-989-758-360-5},
}

in EndNote Style

TY - CONF

JO - The Second International Conference on Materials Chemistry and Environmental Protection - MEEP,
TI - A Molecular Dynamics Simulation of the Influence of Defect on the Melting of Amorphous Silica
SN - 978-989-758-360-5
AU - Ji H.
AU - Wang X.
AU - Li H.
AU - Li Z.
AU - Cheng X.
PY - 2018
SP - 193
EP - 198
DO - 10.5220/0008187501930198