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Using the scheme of Delaunay and Gabriel graphs, we analyzed the amorphousstructures of computationally created Nd-Fe alloys for several compositionratios based on melt quench simulations with finite temperaturefirst-principles molecular dynamics.By the comparison of the radialdistribution functions of the whole system and those derived from the Delaunayand Gabriel graphs, it was shown that the Gabriel graphs represent the firstnearest neighbor networks well in the examined amorphous systems. From theGabriel graph analyses, we examined the coordination structures of amorphousNd-Fe alloys statistically. We found that the ranges of distributions ofcoordination numbers vary depending on the composition ratio. The angulardistributions among three adjacent atoms were also analyzed, and it was foundthat the angular distributions behave differently in the Nd-rich and Fe-richsamples. We found that the orders in the amorphous system becomes stronger asincreasing the Nd ratio, which corresponds to the appearance of crystallinegrain boundary phases at high Nd composition ratio [T. T. Sasaki et al., ActaMater. 115, 269-277 (2016)].

Hidden orders in amorphous structures: extraction of nearest neighbor networks of amorphous Nd-Fe alloys with Gabriel graph analyses