Molecular Dynamics Simulation Of Liquid Na2O
Corressponding author's email:
tapchikhgkdt@hcmute.edu.vnKeywords:
Electronic material, microstructure,, sodium oxide,, molecular dynamicsAbstract
Molecular dynamic simulation has been done to investigate the local structure of liquid sodium oxide (Na2O) at 2330 K using the Born–Mayer type pair potential with boundary periodic conditions. Clear evidence was found of structural network consisting mainly of tetrahedral NaO4. The microstructure of our system is analyzed through partial pair correlations, coordination numbers, and angle distributions. Void and its characteristics were examined and discussed here.
Downloads: 0
References
D. K. Belashchenko and O. I. Ostrovskii (2002), Inorganic Materials, 38 (9) 917-921.
Simona Ispas et al. (2001), Phys. Rev. B, 64, 214206.
Markus Pöhlmann, Magali Benoit, and Walter Kob (2004) Phys. Rev. B 70, 184209.
P.K.Hung, N.V.Hong, L.T.Vinh (2007), J. Phys.: Condens. Matter, 19, 466103.
P.K.Hung, L.T.Vinh, D.M.Nghiep (2007), J. of Non-Crys. Solids, 353, 22-23, 2163.
P.K.Hung, L.T.Vinh (2006), J. of Non-Crys. Solids, 352, 52-54, 5531.
DWHeerman (1986), Springer, Berlin, Germany.
J P Hansen (1973), Phys.Rev. A, 8 (6) 3096 - 3109.
S. A. Brawer and W. B. White (1977), J. Non-Cryst. Solids 23, 261.
G. N. Greaves (2000), Miner. Mag. 64, 441.
Atsushi Nakajima et al. (1992), Chem. Phys. Lett. 189 (4,5), 455.
M. Criado et al., (2008), Micropor. Mesopor. Mater., 109, 525.
Downloads
Published
How to Cite
Issue
Section
Categories
License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
Copyright © JTE.


