Impact of phosphorus atom concentration on the glass formation ability of rapidly solidified Fe-P alloys

BB Li and B Chen and T Liu and QH Qi and M Gao and Z Yi and DD Wen and JH Wu and YH Deng and P Peng, PHILOSOPHICAL MAGAZINE, 105, 1669-1683 (2025).

DOI: 10.1080/14786435.2025.2539861

The rapid solidification process of Fe100-xPx (x = 3, 4, 5, 5.5, 6) alloys are simulated using molecular dynamics, and the local atomic structure was analysed through the pair distribution functions, bond orientational order (BOO) and cluster-type index method (CTIM). Simulation results indicate that for x < 6, increasing the concentration of P atoms induces a transition from long-range ordered structures to long-range disordered structures. Along with the local aggregation of P atoms in the alloy melt and stronger P-P interactions, more icosahedral- like clusters are formed. The growth rate slows down, atomic diffusion capacity reduces and the number of BCC structures decreases, inhibiting crystallisation and enhancing the glass formation ability.

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