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A joint diffusion/collision model for crystal growth in pure liquid metals

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  • Hua Men

    (Brunel University London)

Abstract

The kinetics of atomic attachments at the liquid/solid interface is one of the foundations of solidification theory, and to date one of the long-standing questions remains: whether or not the growth is thermal activated in pure liquid metals. Using molecular dynamics simulations and machine learning, I have demonstrated that a considerable fraction of liquid atoms at the interfaces of Al(111), (110) and (100) needs thermal activation for growth to take place while the others attach to the crystal without an energy barrier. My joint diffusion/collision model is proved to be robust in predicting the general growth behaviour of pure metals. Here, I show this model is able to quantitatively describe the temperature dependence of growth kinetics and to properly interpret some important experimental observations, and it significantly advances our understanding of solidification theory and also is useful for modelling solidification, phase change materials and lithium dendrite growth in lithium-ion battery.

Suggested Citation

  • Hua Men, 2024. "A joint diffusion/collision model for crystal growth in pure liquid metals," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-50182-7
    DOI: 10.1038/s41467-024-50182-7
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    References listed on IDEAS

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    1. Li Zhong & Jiangwei Wang & Hongwei Sheng & Ze Zhang & Scott X. Mao, 2014. "Formation of monatomic metallic glasses through ultrafast liquid quenching," Nature, Nature, vol. 512(7513), pages 177-180, August.
    2. Rodrigo Freitas & Evan J. Reed, 2020. "Uncovering the effects of interface-induced ordering of liquid on crystal growth using machine learning," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
    3. Yuan-Chao Hu & Hajime Tanaka, 2022. "Revealing the role of liquid preordering in crystallisation of supercooled liquids," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    4. Stefan Auer & Daan Frenkel, 2001. "Prediction of absolute crystal-nucleation rate in hard-sphere colloids," Nature, Nature, vol. 409(6823), pages 1020-1023, February.
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