Elucidation of Mechanical Properties of Nano-Scale Interfaces by First-Principles Machine-Learning Calculations
Author:
Affiliation:
1. Institute of Engineering, Academic Assembly, Shinshu University
2. PRESTO, Japan Science and Technology Agency(JST)
Publisher
Society of Materials Science, Japan
Link
https://www.jstage.jst.go.jp/article/jsms/73/8/73_640/_pdf
Reference18 articles.
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2. 2) D. Matsunaka and Y. Shibutani, “Effects of oxygen vacancy on adhesion of incoherent metal/oxide interface by first-principles calculations”, Surface Science, Vol. 604, pp. 196-200 (2010).
3. 3) I.D. Aditya, D. Matsunaka, Y. Shibutani and G. Yamamoto, “First-principles study of interfacial interaction between carbon nanotube and Al2O3(0001)”, Journal of Applied Physics, Vol. 121, pp. 025304 (2017).
4. 4) I. D. Aditya, D. Matsunaka, Y. Shibutani and Suprijadi, “Interfacial interaction between carbon nanotube and stoichio- and nonstoichiometric ceramic surfaces by ab-initio calculations”, Materials Transactions, Vol. 59, pp. 1684-1690 (2018).
5. 5) H. Mori and T. Ozaki, “Neural network atomic potential to investigate the dislocation dynamics in bcc iron”, Physical Review Materials, Vol. 4, pp. 040601R (2020).
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