Project supported by the National Natural Science Foundation of China (Grant Nos 10674120 and 10774121);the 'Qing Lan' Talent Engineering Funds by Lanzhou Jiaotong University of China (Grant No QL-06-22A);the Research Foundation from Ministry of Education of China (Grant No 209127)
Constant temperature and pressure molecular dynamics (MD) simulations are performed to investigate the thermal expansivity of MgO at high pressure, by using effective pair-wise potentials which consist of Coulomb, d...