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. 2017 Jan 5;7:39952. doi: 10.1038/srep39952

Figure 2.

Figure 2

The average tetrahedrality order qtetra (a) and translational order ttrans (b) as a function of pressure for different temperatures from 1032 to 1800 K obtained from ab initio molecular dynamics simulations of liquid Si. qtetra increases with decreasing pressure. From 1032 to 1700 K, ttrans decreases with decreasing pressure and goes through a minimum, which marks an onset of structural anomaly.