High-Temperature Liquid-Liquid Phase Transition in Glass-Forming Liquid Pd43Ni20Cu27P10

Huanyi Zhou; Pengfei Yu; Xiaoyu Miao; Cunjin Peng; Lulu Fu; Conghui Si; Qifang Lu; Shunwei Chen; Xiujun Han

doi:10.3390/ma16124353

High-Temperature Liquid-Liquid Phase Transition in Glass-Forming Liquid Pd₄₃Ni₂₀Cu₂₇P₁₀

Materials (Basel). 2023 Jun 13;16(12):4353. doi: 10.3390/ma16124353.

Authors

Huanyi Zhou¹, Pengfei Yu², Xiaoyu Miao¹, Cunjin Peng¹, Lulu Fu¹, Conghui Si¹, Qifang Lu¹, Shunwei Chen¹, Xiujun Han¹

Affiliations

¹ School of Materials Science and Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan 250353, China.
² School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, China.

Abstract

Liquid-liquid phase transition (LLPT) is a transition from one liquid state to another with the same composition but distinct structural change, which provides an opportunity to explore the relationships between structural transformation and thermodynamic/kinetic anomalies. Herein the abnormal endothermic LLPT in Pd₄₃Ni₂₀Cu₂₇P₁₀ glass-forming liquid was verified and studied by flash differential scanning calorimetry (FDSC) and ab initio molecular dynamics (AIMD) simulations. The results show that the change of the atomic local structure of the atoms around the Cu-P bond leads to the change in the number of specific clusters <0 2 8 0> and <1 2 5 3>, which leads to the change in the liquid structure. Our findings reveal the structural mechanisms that induce unusual heat-trapping phenomena in liquids and advance the understanding of LLPT.

Keywords: Pd-Ni-Cu-P; ab initio molecular dynamics; endothermic; flash differential scanning calorimetry; liquid–liquid phase transition.

Grants and funding

This research was funded by the Colleges and Universities Twenty Terms Foundation of Jinan City (grant No. 2019GXRC034 and 202228023), the Major Innovation Projects for Integrating Science, Education & Industry of Qilu University of Technology (Shandong Academy of Sciences) (grant No. 2022JBZ01-07) and the National Natural Science Foundation of China (grant No. 12004209).