Densification effects on porous silica: A molecular dynamics study

作者：Tian, Ye; Du, Jincheng^*; Hu, Dongxia; Zheng, Wanguo; Han, Wei^*

来源：Scripta Materialia, 2018, 149: 58-61.

DOI：10.1016/j.scriptamat.2018.02.007

• Molecular dynamics simulations
• Porous silica
• Densification

Molecular dynamics simulations are performed to investigate the effects of hydrostatic and shock densification on the structural and mechanical properties of porous silica. In the 0-35 GPa pressure range, the equation of state reveals a unique plastic-elastic transition for this material, resulting in a continuous density increase followed by saturation. Structural modifications are reflected in the medium-range order only, as evidenced by the increase of inter-tetrahedral bond angles occurring through the pressure-induced rearrangement of Si-O-Si planes and associated bonds. Discontinuous evolution of the elastic moduli for densified porous silica is observed and associated with the change of ring statistics.

• 出版日期2018-5
• 单位中国工程物理研究院激光聚变研究中心; 上海交通大学; 中国工程物理研究院