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 mod...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.展开更多
The structural evolution of dislocation network is closely related to y' rafting and tensile properties. In this work, the effects of strain rate and temperature on the structural evolution of interface dislocatio...The structural evolution of dislocation network is closely related to y' rafting and tensile properties. In this work, the effects of strain rate and temperature on the structural evolution of interface dislocation network in Ni-based superalloys are studied by molecular dynamics simulations. The correlation between the evolution of dislocation network and tensile properties is also explored. The results indicate that the dislocation network shows different degrees of deformation and damage at various strain rates and temperatures. The ),' rafting depends on the damage structure of dislocation network at various strain rates and tem- peratures. Moreover, the tensile properties of interface in Ni-based superalloys are closely related to the evolution of disloca- tion network and dislocation motion mechanisms.展开更多
文摘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.
基金supported by the National Natural Science Foundation of China (Grant Nos. 11072026 and 11102139)the Fundamental Research Funds for the Central Universities (Grant No. 2009JBZ015)China Postdoctoral Science Foundation (Grant No. 20110491205)
文摘The structural evolution of dislocation network is closely related to y' rafting and tensile properties. In this work, the effects of strain rate and temperature on the structural evolution of interface dislocation network in Ni-based superalloys are studied by molecular dynamics simulations. The correlation between the evolution of dislocation network and tensile properties is also explored. The results indicate that the dislocation network shows different degrees of deformation and damage at various strain rates and temperatures. The ),' rafting depends on the damage structure of dislocation network at various strain rates and tem- peratures. Moreover, the tensile properties of interface in Ni-based superalloys are closely related to the evolution of disloca- tion network and dislocation motion mechanisms.
