Crystalline structure of CaO-P2O5-SiO2 system at 3,000 K were investigated by molecular dynamic simulation. The models with different concentrations of P2O5 (5-40 mol%) were constructed by using Born-Mayer-Huggins potentials. The size of models was from 5,270-5,520 atoms. The local environment of elements and glassy-network structure were investigated in detail.
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Structural properties of liquid CaO–SiO2–P2O5 system
Structural properties of liquid CaO–SiO2–P2O5 system
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Molecular dynamics simulation Bridge-bridge bond Coordination number Born-Mayer-Huggins potentials Crystalline structureTài liệu có liên quan:
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