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Journal of Thermal Science

热科学学报

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2022 , Vol. 31 >Issue 4: 1135 - 1144

DOI: https://doi.org/10.1007/s11630-022-1624-7

Non-Isothermal Dissolutive Wetting of Al-Ni and Cu-Ni Alloy Nanodroplets on a Cu(100) Substrate

  • WANG Shaoyu ,
  • WANG Zijie ,
  • WANG Shuolin ,
  • YANG Yanru ,
  • HUANG Congliang ,
  • WANG Xiaodong
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  • 1. State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Beijing 102206, China
    2. Research Center of Engineering Thermophysics, North China Electric Power University, Beijing 102206, China
    3. School of Electrical and Power Engineering, China University of Mining and Technology, Xuzhou 221116, China

网络出版日期: 2023-12-01

基金资助

This study was partially supported by the State Key Program of National Natural Science of China (No. 51936004) and Science Fund for Creative Research Groups of the National Natural Science Foundation of China (No. 51821004).

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Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer Nature 2022
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Non-Isothermal Dissolutive Wetting of Al-Ni and Cu-Ni Alloy Nanodroplets on a Cu(100) Substrate

  • WANG Shaoyu ,
  • WANG Zijie ,
  • WANG Shuolin ,
  • YANG Yanru ,
  • HUANG Congliang ,
  • WANG Xiaodong
Expand
  • 1. State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Beijing 102206, China
    2. Research Center of Engineering Thermophysics, North China Electric Power University, Beijing 102206, China
    3. School of Electrical and Power Engineering, China University of Mining and Technology, Xuzhou 221116, China

Online published: 2023-12-01

Supported by

This study was partially supported by the State Key Program of National Natural Science of China (No. 51936004) and Science Fund for Creative Research Groups of the National Natural Science Foundation of China (No. 51821004).

Copyright

Science Press, Institute of Engineering Thermophysics, CAS and Springer-Verlag GmbH Germany, part of Springer Nature 2022
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摘要

高温湿润现象广泛存在于金属3D打印、金属复合材料制备、选择性激光熔化等工业应用中。以往的润湿模型是建立在等温体系的基础上，即液滴与基底具有相同的温度。但在许多实际的高温湿润体系，液滴和基底具有较大的温差。对于这样的湿润体系，温差和凝固反应对高温湿润动力学的影响机制尚未明晰。因此，本文利用分子动力学模拟方法，对比研究了不同比率的铝-镍和铜-镍合金液滴在相同铜基底上的非等温铺展。模拟结果显示，随着铺展的进行，铝-镍/铜和铜-镍/铜两种体系下都会出现明显的溶解反应，没有观察到前驱膜产生。对于铝-镍/铜体系，当合金液滴含有较少的镍原子时，铺展速率更快。而对于铜-镍/铜体系，由于铜原子和镍原子具有相近的晶格常数，合金液滴组分浓度变化不会影响铺展速率。此外，由于合金液滴与基底存在较大的温度梯度，液滴和基底间除了原子相互扩散之外，还存在热量交换。当低于熔点温度时，液滴最先在三相接触线附近开始凝固，逐渐抑制铺展。液滴完全凝固后，晶格常数的匹配程度将会决定液滴内部原子的堆积方式。由于铝原子和铜原子晶格常数差异较大，在铝-镍/铜体系中的液滴内部会观察到六方最密、体心立方以及面心立方三种不同的堆积方式，但在铜-镍/铜体系下液滴内部只会出现面心立方堆积方式。研究结果还表明，利用铺展和凝固的耦合作用，能够操控液滴在基底形成指定图案。该研究有助于深入理解高温湿润现象背后的微观机理，为金属3D打印、合金制备等实际应用提供理论指导。

关键词： spreading mechanism; non-isothermal; solidification; molecular dynamics simulations

本文引用格式

WANG Shaoyu , WANG Zijie , WANG Shuolin , YANG Yanru , HUANG Congliang , WANG Xiaodong . Non-Isothermal Dissolutive Wetting of Al-Ni and Cu-Ni Alloy Nanodroplets on a Cu(100) Substrate[J]. 热科学学报, 2022 , 31(4) : 1135 -1144 . DOI: 10.1007/s11630-022-1624-7

Abstract

The kinetics of Al-Ni and Cu-Ni nanodroplets spreading over a Cu substrate in the presence of a temperature difference between them is studied via molecular dynamics simulations. The simulations show that significant dissolution reactions occur for the two systems and there is no precursor film generated during spreading. The spreading rate significantly increases when nanodroplets contain less Ni atoms in the Al-Ni/Cu wetting systems. However, a different trend is observed in the Cu-Ni/Cu wetting systems. The spreading rate remains unchanged regardless of the ratio of Cu to Ni atoms owing to the fact that Cu and Ni have almost the same lattice constants. The simulations also demonstrate that, because of the temperature gradient between the nanodroplet and substrate, local solidification takes place in the later spreading stage, which significantly hinders spreading. Due to the mismatch of lattice constants between Al and the Cu atoms in the Al-Ni/Cu wetting systems, hexagonal closest packed (hcp), body centered cubic (bcc), and face centered cubic (fcc) arrangements of atoms are observed when the Al-Ni nanodroplets solidify completely, whereas there is only a fcc arrangement in the Cu-Ni/Cu wetting systems.

Key words： spreading mechanism; non-isothermal; solidification; molecular dynamics simulations

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