Journal of Industrial and Engineering Chemistry

  • Volume 57
  • /
  • Pages.290-296
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  • 2018
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  • 1226-086X(pISSN)
  • /
  • 1876-794X(eISSN)
The Korean Society of Industrial and Engineering Chemistry (한국공업화학회)
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Reaction characteristics of Ni-Al nanolayers by molecular dynamics simulation

  • Jung, Gwan Yeong (School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST)) ;
  • Jeon, Woo Cheol (School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST)) ;
  • Lee, Sukbin (School of Materials Science and Engineering, Ulsan National Institute of Science and Technology (UNIST)) ;
  • Jung, Sang-Hyun (The 4th Research and Development Institute, Agency for Defense Development (ADD)) ;
  • Cho, Soo Gyeong (The 4th Research and Development Institute, Agency for Defense Development (ADD)) ;
  • Kwak, Sang Kyu (School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST))
  • Received : 2017.08.06
  • Accepted : 2017.08.18
  • Published : 2018.01.31
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Abstract

We have performed molecular dynamics simulations to investigate the reaction characteristics of Ni-Al nanolayers by varying ignition temperature and bilayer thickness with three different compositions (1:1, 3:1, and 1:3) of Ni to Al. The overall sequence of reaction pathway was found to be unchanged by stoichiometry, but the reaction rate and the extents of intermixing varied by case. Also, the reaction kinetics and thermodynamics were quantitatively investigated by various structural and reaction conditions. Through this systematic study, the reaction characteristics of Ni-Al nanolayers were theoretically quantified, which can provide an insight into the fabrication of advanced Ni-Al nanolayer systems.

Keywords

Acknowledgement

Supported by : Agency for Defense Development (ADD)

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