Fig. 7 | npj Computational Materials

Fig. 7

From: Computational modeling sheds light on structural evolution in metallic glasses and supercooled liquids

Fig. 7

Atomic order derived from pair distribution function, g(r). a g(r) for MD-simulated Ni liquid at 2000 K and glass at 300 K. The peak positions are denoted by the short dashed lines. b R i /R 1, the ratio of the ith peak position normalized by that of the first peak, for 64 MGs, see ref. 36. c g(r) of Ta liquids at 3300 K (orange line) and its corresponding inherent structures (cyan line). The inset schematically depicts the second peak in g(r) with corresponding atomic order at the second nearest-neighbor shell. d Four different schemes of coordination polyhedra connections with the number of shared atoms from one to four, which are denoted as 1-atom, 2-atom, 3-atom, and 4-atom cluster connections, respectively. e g(r) for MD-simulated Ni80P20 MGs at 300 K. The decomposed pair distribution functions are shown for nearest-neighbors (NN), second nearest neighbor atoms via 1-atom, 2-atom, 3-atom, and 4-atom cluster connections. a–b are adapted from ref. 37 and c–e from ref. 70

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