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Molecular dynamic simulations for dissolution of Zn-Al binary system
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State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology

Clc Number:

TG454

Fund Project:

The National Natural Science Foundation of China (General Program, Key Program, Major Research Plan)

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    Abstract:

    Dissolution between Zinc, Aluminum and Zn-Al alloys are common in soldering, hot-dipping and coating, for example, when preparing galvalumed steel and Galfan-coated steel products. For manufacturers, they need to ensure that Zn wet Al well in order to endow the prepainted material with excellent corrosion resistance. This work aims at finding some key factors whichSdetermineSthe degree of dissolution in different Zn/Al binary systems. The consideration of investigating kinetic factors in dissolutive wetting process is brought into molecular dynamic (MD) simulation. Different atomic scale wetting process are performed with LAMMPS, simulation performances include Zn-5 wt.% Al, Zn-6.8 wt.% Al liquid models spreading on Al(100), Al(110), Al(111) solid substrates. By changing the temperature, elevating the percentage ratio of Zn, Al, it is found that Zn-Al binary dissolution can be pushed ahead by elevating temperature, or raising Al concentration in the liquid phase. Effects of temperature and atom percentages on dissolved volume and diffusion coefficient are also demonstrated by analyzing dissolutive parameters.

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[Yang Yao, Liang Yuxin, Li Shaorong, Li Bangsheng, Yan Jiuchun. Molecular dynamic simulations for dissolution of Zn-Al binary system[J]. Rare Metal Materials and Engineering,2020,49(8):2636~2643.]
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History
  • Received:May 23,2019
  • Revised:June 25,2019
  • Adopted:July 02,2019
  • Online: September 27,2020
  • Published: