fig21

Figure 21. (A) In-plane atomic structure of the first liquid layer adjacent to the Si (111) - (6 × 6) Au reconstructed surface at T = 600 K, obtained from large-scale classical molecular dynamics simulations. Pentagonal atomic motifs in the liquid are highlighted with red lines, illustrating the enhanced five-fold symmetry (FFS) near the interface; (B) Depth profile of the fraction of FFS atomic configurations across the Au-Si liquid slab at T = 600 K, near the Si (111) - (6 × 6) substrate. The percentage of FFS peaks at ~65% in the first liquid layer, indicating strong substrate-induced local ordering. The red dot-dashed line marks the bulk FFS level (~25%) for comparison. This figure is reproduced with permission^[174]. Copyright 2018, The Author(s).