Tuesday, June 5, 2012

1206.0365 (Burkhard Militzer)

Ab Initio Investigation of a Possible Liquid-Liquid Phase Transition in
MgSiO3 at Megabar Pressures
   [PDF]

Burkhard Militzer
We perform density functional molecular dynamics simulations of liquid and solid MgSiO3 in the pressure range of 120-700 GPa and for temperatures up to 20000 K in order to provide new insight into the nature of the first-order liquid-liquid phase transition that was recently predicted on the basis of decaying laser shock wave experiments [Phys. Rev. Lett. 108 (2012) 065701]. However, our simulations did not show any signature of a phase transition in the liquid phase. We present and discuss different thermodynamic functions and then conclude by exploring alternative interpretations of the experimental findings including the formation of a Rayleigh-Taylor instability.
View original: http://arxiv.org/abs/1206.0365

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