Interfacial Bonding Behavior between Silver Nanoparticles and Gold Substrate Using Molecular Dynamics Simulation

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  • Ogura Tomo
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
  • Nishimura Masumi
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
  • Tatsumi Hiroaki
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
  • Takahara Wataru
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
  • Hirose Akio
    Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University

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Abstract

Molecular dynamics (MD) simulation was applied to the sintering behavior of silver nanoparticles on a gold substrate in order to elucidate the sintering mechanism of the nanoparticles on the substrate. The simulation revealed that silver atoms from 1 and 2 nm nanoparticles migrated freely because of their larger surface energy and then epitaxially reoriented to the gold substrate so as to reduce grain boundary energy. The silver nanoparticles were more spread out on the (011) gold substrate than on the (001) substrate, indicating that substrates with larger surface energy induce greater spreading rates. Consideration of the competition of neck growth and epitaxial growth in sintering of nanoparticles revealed that reduction of surface energy is the predominant driving force in the initiation of sintering of silver nanoparticles, and that the reduction of grain boundary energy is subsequently consequential.

Journal

  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 53 (12), 2085-2090, 2012

    The Japan Institute of Metals and Materials

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