Figure 4
FES reweighted as a function of N1 and N2, indicating the number of molecules in a form I and form II structure, respectively. Landmarks highlight the position in the CVs space of the melt (circle), polymorph I (square) and polymorph II (triangle) configurations. The transitions between the three basins of the FES described in the text are reported in the upper triangle. A nucleus in which polymorph I (blue molecules) and II (green molecules) sub-domains coexist is also shown. Reproduced with permission from Giberti et al. (2015). Copyright (2015) Elsevier. |