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High pressure effect on structural transition of Fe cluster during rapid quenching processes

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Abstract

Molecular dynamics simulations of 21,952 atoms have been performed to study local structure evolution and glass formation in iron melts rapidly cooled under high pressures. In the quenching processes, structural transition details have been analyzed by using the radial distribution function g(r) and bond pair analysis technique. It is shown that high pressure strengthens the order degree of the glass system and favors the glass formation. That means with the increase of pressures, a more compacted local structure with more ideal icosahedra can be obtained. The calculations of free volume of the system indicate that the decrease of the number of the defected ideal icosahedra under high pressure contributes to the glass formation of Fe.

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Authors and Affiliations

  1. State Key Laboratory of Metastable Materials Science & Technology, Yanshan University, Qinhuangdao, 066004, China

    Li Qi, MaiMai Li, MingZhen Ma, Qin Jing, Gong Li & RiPing Liu

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  1. Li Qi
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  2. MaiMai Li
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  3. MingZhen Ma
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  4. Qin Jing
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  5. Gong Li
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Correspondence to RiPing Liu.

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Qi, L., Li, M., Ma, M. et al. High pressure effect on structural transition of Fe cluster during rapid quenching processes. Sci. China Phys. Mech. Astron. 53, 2037–2041 (2010). https://doi.org/10.1007/s11433-010-4133-8

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  • DOI: https://doi.org/10.1007/s11433-010-4133-8

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