The Structure of Liquid PbSiO3: Insight from Analysis and Visualization of Molecular Dynamics Data

• Main Authors: Nguyen, Van Yen, Nguyen, Van Hong, Le, The Vinh
• 格式: Article
• 語言: English
• 出版: H.: ĐHQGHN 2015
• 主題: Structural phase; Liquid; Triclusters; Simulation; Pressure
• 在線閱讀: http://repository.vnu.edu.vn/handle/VNU_123/4296

The structural characteristics of liquid PbSiO3 have been investigated by means of the molecular dynamics simulation. The simulations were done in a microcanonical ensemble, using pair potentials. Models consisting of 5000 atoms (1000 Pb, 1000 Si and 3000 O) were constructed at different pressures a...