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.
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This research is funded by Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.05-2017.345.
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Tran, TN., Van Yen, N., Van Dung, M., Dung, T.T., Van Van, H., Vinh, L.T. (2019). Insight into Microstructure of Lead Silicate Melts from Molecular Dynamics Simulation. In: Vasant, P., Zelinka, I., Weber, GW. (eds) Intelligent Computing & Optimization. ICO 2018. Advances in Intelligent Systems and Computing, vol 866. Springer, Cham. https://doi.org/10.1007/978-3-030-00979-3_39
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