Microstructure of liquid lithium silicate under influence of pressure

10 pages•Published: May 14, 2020

Quynh Truong Duc, Dung Tran Thanh, Van Dung Mai and The Vinh Le

Abstract

The microstructural characteristics of liquid lithium silicate (Li2SiO3) are investigated by means of molecular dynamics simulation using the Born-Mayer pairwise potentials. The simulations were performed on the systems with up to 2025 atoms (consist of 750 Li, 375 Si, and 1125 O atoms) at 3200K in the 0-30 GPa pressure range. The microstructure of liquid Li2SiO3 is analyzed via pair radial distribution functions (PRDFs), coordination distributions, angular distributions. The results show that the structure of the liquid lithium silicate consists the basic structural units TO4 (T= Li, Si) at ambient pressure, and these units decrease as the pressure increases. Besides, the shape and size of the basic structural units are slightly dependent on pressure. Calculations also indicate that calculated data agree well with the experimental ones.

Keyphrases: computational physics, microstructure, molecular dynamics, silicate materials, under temperature

In: Tich Thien Truong, Trung Nghia Tran, Quoc Khai Le and Thanh Nha Nguyen (editors). Proceedings of International Symposium on Applied Science 2019, vol 3, pages 187-196.

Links:	https://easychair.org/publications/paper/Cnhh
	https://doi.org/10.29007/nljl

BibTeX entry

@inproceedings{ISAS2019:Microstructure_liquid_lithium_silicate,
  author    = {Quynh Truong Duc and Dung Tran Thanh and Van Dung Mai and The Vinh Le},
  title     = {Microstructure of liquid lithium silicate under influence of pressure},
  booktitle = {Proceedings of International Symposium on Applied Science 2019},
  editor    = {Tich Thien Truong and Trung Nghia Tran and Quoc Khai Le and Thanh Nha Nguyen},
  series    = {Kalpa Publications in Engineering},
  volume    = {3},
  publisher = {EasyChair},
  bibsource = {EasyChair, https://easychair.org},
  issn      = {2515-1770},
  url       = {/publications/paper/Cnhh},
  doi       = {10.29007/nljl},
  pages     = {187-196},
  year      = {2020}}

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