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Table 2 Comparison of lattice constants between MD simulations and experiments

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

 

Forsterite

Enstatite

MD

Exp a

MD

Exp c

a (Ǻ)

4.8709

4.7534

18.921

18.230

b (Ǻ)

10.2820

10.1902

8.840

8.817

c (Ǻ)

6.1249

5.9783

5.388

5.181

Density (g cm-3)

3.0467

3.2275

2.960

3.203

K 0 (GPa)

128

129b

95.0

95.8d

K′

5.69

4.2b

11.0

14.9d

  1. MD, molecular dynamics; Exp, experiments. aFujino et al. 1981. bDuffy et al. 1995. cMorimoto and Koto 1969. dAngel and Hugh-Jones 1994.