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.