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Pressure vs volume relations for three compression-decompression cycles. The left inset is the volumes at 15 GPa. The red solid line is for compression and the green dashed line for decompression. The right inset is the volume at 0 and 30 GPa, which are represented by the red solid line and green dashed line, respectively. We only plot the curves up to 30 GPa.
The total and PRDFs from 0 to 30 GPa with a pressure rate of 1 GPa. (a) The total RDF, (b) Zr–Ni PRDF, (c) Ni–Ni PRDF, and (d) Zr–Zr PRDF at different applied pressures. The red, green, blue, pink, turquoise, yellow, and black curves correspond to the data for 0, 5, 10, 13, 15, 20, and 30 GPa.
The HA parameter under different pressures. Only 6–6-1, 5–5-1, and 4–4-1 are plotted. Here only the first nearest neighbor is considered so that we only use last three digits to represent different structures.
The bulk modulus obtained from the numerically fitted EOS in Fig. 1. The points are from the thermal fluctuation method. The data were obtained for three compressions (see Fig. 1).
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