Extended Data Fig. 4: Fitting the liquid structure for the data showing diamond-liquid coexistence.
From: The structure of liquid carbon elucidated by in situ X-ray diffraction
For the elevated temperatures of the experiments, there is also thermal diffuse scattering of crystalline diamond, which needs to be considered when fitting density and temperature to the liquid structure. This contribution was determined from DFT-MD simulations of diamond (see refs. 36 and 37 of the article). In the case shown as example (run 547), the diamond content is about 40 % which is obtained by scaling the amount of crystalline diffraction to the pure diamond case (e.g., run 551). While the thermal diffuse background is nearly linear with k and given that the temperature is constrained by the broadening of the correlation peaks and the density by their position, the influence of the thermal diffuse scattering on the inferred temperature and density values is negligible. For the other coexistence cases shown in the article, the diamond content is lower: ~20 % for run 549 and ~10 % for run 1026.
