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Table 1 Inter-atomic potential parameters

From: Structure and properties of forsterite-MgSiO3 liquid interface: molecular dynamics study

  Potential parameters and their values
Atomic parameters Q a (Ǻ) b (Ǻ) c (kJ mol-1 Ǻ3)
  Si 2.23607 0.99759 0.0830 0.000
  O -1.11803 1.81819 0.1539 27.400
  Mg 1.11803 1.09881 0.0470 40.000
Pair parameters D 1 (kJ mol-1) β 1 (1/Ǻ) D 2 (kJ mol-1) β 2 (1/Ǻ)
  Si-O 668,428 59.636 -105,335 45.514
  Mg-O 28,960.0 5.0 -1,556.8 2.24
3-body parameters f (kJ mol-1) θ 0 (deg) r m (Ǻ) g r (1/Ǻ)
  Si-O-Si 0.0006 147.0 0.170 168.0