Fig. 7: Thermal expansion of iron and iron oxides.
From: Development of an atomic cluster expansion potential for iron and its oxides
Lattice thermal expansion computed using the ACE potential during molecular dynamics simulations at constant zero pressure for a pure Fe (BCC and FCC), b Fe3O4, and c Fe2O3. Results are compared to experimental data taken from ref. 55 for Fe, from ref. 61 (circles) and ref. 62 (squares) for Fe3O4, and from refs. 17,63 for Fe2O3. For Fe2O3, the two a (left) and c (right) lattice parameters of the hexagonal cell are presented.
