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This study investigates the structure, vibrational properties, and transport coefficients of liquid alumina through molecular dynamics simulations at temperatures ranging from 2500 K to 4000 K and varying densities. The findings reveal that the short-range order is primarily composed of AlO4 tetrahedra, with significant contributions from AlO3 and AlO5, and the viscosity at 2500 K closely aligns with experimental data. Additionally, the research provides insights into the self-diffusion coefficients, therma

Author

thanhha.iep

Language

EN