Molecular Dynamics Simulation of MgO Melting at High Pressure
Shou‐Yi Li, Zheng-lai Liu, Ya-Gong Nan, Zhirong Zhang
Abstract
Shou‐Yi Li, Zheng-lai Liu, Ya-Gong Nan, Zhirong Zhang
Abstract
Molecular dynamics simulation was used to study the melting of MgO at high pressures. The melting temperature of MgO was accurately obtained at elevated temperature and high pressure after corrections based on the modern theory of melting. The calculated melting curve was compared with the available experimental data and other theoretical results at the pressure range of 0-135 GPa. The corrected melting temperature of MgO is in good agreement with the results from Lindemann melting equation and the two-phase simulated results below 15 GPa.
OpenAlex reports 5 citations for this work. Citation counts describe recorded attention and do not establish research quality.
A contribution statement is not available in the OpenAlex record.
Method details are not available in the OpenAlex metadata.
Findings are not separately available in the OpenAlex metadata.
Limitations are not available in the OpenAlex metadata.
Application details are not available in the OpenAlex metadata.
Molecular dynamics simulation was used to study the melting of MgO at high pressures. The melting temperature of MgO was accurately obtained at elevated temperature and high pressure after corrections based on the modern theory of melting. The calculated melting curve was compared with the available experimental data and other theoretical results at the pressure range of 0-135 GPa. The corrected melting temperature of MgO is in good agreement with the results from Lindemann melting equation and the two-phase simulated results below 15 GPa.
Key concepts: Melting curve analysis, Molecular dynamics, Melting temperature, Thermodynamics, High pressure, Materials science, Phase (matter), Atmospheric temperature range