Table 1 Inter-atomic potential parameters
From: Structure and properties of forsterite-MgSiO3 liquid interface: molecular dynamics study
| Â | 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 |