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
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- Nishimura Masumi
- Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
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- Tatsumi Hiroaki
- Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
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- Takahara Wataru
- Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
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- Hirose Akio
- Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University
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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.
収録刊行物
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- MATERIALS TRANSACTIONS
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MATERIALS TRANSACTIONS 53 (12), 2085-2090, 2012
公益社団法人 日本金属学会
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詳細情報 詳細情報について
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- CRID
- 1390001204249034624
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- NII論文ID
- 10031127212
- 130004454913
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- NII書誌ID
- AA1151294X
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- COI
- 1:CAS:528:DC%2BC3sXitlCkt70%3D
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- ISSN
- 13475320
- 13459678
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- NDL書誌ID
- 024110572
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- KAKEN
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- 使用不可