Figure 4
Validation of Al450Sm50 AIMD simulations.
(a–c) The PPCF averaged over three AIMD Al450Sm50 samples for Al-Al, Al-Sm and Sm-Sm, respectively. The grey error band is generated by sweeping the error bar over all positions. The curves of different temperatures are shifted vertically for clarity. The inserts zoom in the first peak which is enhanced during the cooling process. (d) The structure factor obtained from AIMD simulations and experiments.
