Molecular dynamics of the oxynitride glasses
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Date
2004
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Volume
77c
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Publisher
Offenbach : Verlag der Deutschen Glastechnischen Gesellschaft
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Abstract
Parameterisations of pair-potential functions were developed by means of ab-initio energy hyper-surface mapping of AI₂O₃, SiO₂Si₃N₄, and AIN crystals. Molecular dynamics simulation was then performed for the 19.1Si₃N₄80.9Al₂O₃ melt. The poor glass forming ability was confirmed by the phase separation, observed in simulated structure.
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Citation
Macháček, J., Liška, M., & Gedeon, O. (2004). Molecular dynamics of the oxynitride glasses. 77c.
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CC BY 3.0 DE