Insight into Microstructure of Lead Silicate Melts from Molecular Dynamics Simulation

Thanh-Nam Tran T. T., Nguyen Van Yen N. V. Y., Mai Van Dung M. V. D., Tran Thanh Dung T. T. D., Huynh Van Van H. V. V., Le The Vinh L. T. V.

1st International Conference on Intelligent Computing and Optimization (ICO), Pattaya, Thailand, 4 - 05 October 2018, vol.866, pp.369-375 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 866
  • Doi Number: 10.1007/978-3-030-00979-3_39
  • City: Pattaya
  • Country: Thailand
  • Page Numbers: pp.369-375
  • Middle East Technical University Affiliated: No

Abstract

In this study, the analysis on structure has been performed for lead silicate (PbSiO3) melt. The structural heterogeneity of the melt was analyzed via the void-simplex, cation-simplex and oxygen-simplex. The densification of the melt is obtained by decreasing the radius and changing the number of void-simplex. We show that a number of large interstitial site for oxygen and cation present in the liquid.