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Li2O·2SiO2 glass structure simulation using molecular dynamics simulation

E. ROŢIU1, D. RADU2, C. MAZILU1,* , M. EFTIMIE2, H.STROIESCU1

Affiliation

  1. National Glass Institute, Theodor Pallady 47 Blvd., Bucharest, Romania
  2. University POLITEHNICA of Bucharest, G. Polizu 1 Street, Bucharest, Romania

Abstract

Knowledge of various types of solid structure presents both a theoretical interest, fundamental and practical. If current experimental methods can characterize the structure of crystalline solids, the information is limited to more simple system in case of vitreous solids. The explanation lies in the lack of order at distance characteristic for glasses. In the last two or three decades, the method of molecular dynamic was remarked among the theoretical simulation method of some oxide glasses. In the present paper the structure of lithium disilicate glass obtained by the method of molecular dynamic is presented. Complementary, the method of radial distribution for internuclear distances of different component atom pairs is used. The obtained results are compared to reference data..

Keywords

Glass, Lithium disilicate, Simulation, Structure, Temperature.

Submitted at: Nov. 28, 2009
Accepted at: Feb. 18, 2010

Citation

E. ROŢIU, D. RADU, C. MAZILU, M. EFTIMIE, H.STROIESCU, Li2O·2SiO2 glass structure simulation using molecular dynamics simulation, Journal of Optoelectronics and Advanced Materials Vol. 12, Iss. 2, pp. 375-379 (2010)