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https://irlib.pccu.edu.tw/handle/987654321/29283
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| 題名: | Investigation of the fracture mechanism of Cu-Al gradient structure |
| 作者: | Lee, Wen-Jay
Chen, Hui-Lung
Hsieh, Jin-Yuan
Ju, Shin-Pon
Wang, Jyun-Hao
Lin, Jenn-Sen |
| 貢獻者: | 化學系 |
| 關鍵詞: | WIRE-BONDS
OPTIMIZATION
ALGORITHM
DYNAMICS |
| 日期: | 2014 |
| 上傳時間: | 2015-01-28 09:35:39 (UTC+8) |
| 摘要: | The mechanical properties of a Cu-Al gradient structure obtained from a tensile test have been investigated by molecular dynamics simulation. The tight binding potential was used to model the interaction between the Cu-Al atoms. The parameters of the TB potential were fitted according to the binding energies, atomic forces of the structures, and elastic constants of CuAl, CuAl2 and Cu3Al by density functional theory (DFT) calculations. These parameters were further applied to generate the Cu-Al gradient structure and perform the tensile test simulation. Meanwhile, the Honeycutt-Andersen (HA) index, radius distribution function and angular correlation function were used to analyze the characteristics of the atomic structure. |
| 關聯: | RSC ADVANCES 卷: 4 期: 23 頁碼: 11975-11979 |
| 顯示於類別: | [化學系所] 期刊論文
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