Reply to Comment on Phase diagram of MgO from density-functional theory and molecular- dynamics simulations Academic Article uri icon

abstract

  • In answer to a Comment by Belonoshko [Phys. Rev. B, 63, 096101 (2001)], we show that the B1-liquid melting curve of MgO obtained using two-phase simulations is in good agreement with the published one obtained using the Clausius-Clapeyron equation in conjunction with separate single phase calculations of liquid and solid. 2001 The American Physical Society.

published proceedings

  • Physical Review B

author list (cited authors)

  • Strachan, A., an, T., & Goddard, W. A.

citation count

  • 12

complete list of authors

  • Strachan, Alejandro||Çağın, Tahir||Goddard, William A

publication date

  • March 2001