initio molecular dynamics study of elasticity of akimotoite MgSiO 3 t mantle conditions

  • i Lia, Donald J. Weidnera, +2 authors G. David Pricea
  • Published 2009
The thermo-elastic properties of MgSiO3 akimotoite at mantle pressure and temperature conditions are reported based on ab initio molecular dynamic simulations. A third-order Birch–Murnaghan equation at a reference temperature of 2000 K is defined by K0 = 158 GPa, K ′ 0 = 3.7, G0 = 85.7 GPa, G′ 0 = 4.5, ccepted 11 November 2008