Implementation of New Boundary Condition in LAMMPS for Energetics of Screw Dislocation in BCC Iron
Author:
Affiliation:
1. Department of Mechanical Engineering, College of Industrial Technology
Publisher
Society of Materials Science, Japan
Link
https://www.jstage.jst.go.jp/article/jsms/73/2/73_136/_pdf
Reference11 articles.
1. 1) H. Mori and T. Ozaki, “Neural network atomic po-tential to investigate the dislocation dynamics in bcc iron”, Physical Review Materials, Vol.4, No.4, pp.040601-1-5 (2020).
2. 2) H. Mori, T. Tsuru, M. Okumura, D. Matsunaka, Y. Shiihara and M. Itakura, “Dynamic interaction be-tween dislocations and obstacles in bcc iron based on atomic potentials derived using neural networks”, Physical ReviePhysical Review Materials,w Materials, Vol.7, No 6, pp.063605-1-5 (2023).
3. 3) Y. Shiihara, R. Kanazawa, D. Matsunaka, I. Lobzenko, T. Tsuru, M. Kohyama and H. Mori, “Ar-tificial neural network molecular mechanics of iron grain boundaries”, Scripta Materialia, Vol.207, No 15, pp.114268-1-5 (2021).
4. 4) T. Suzudo, K. Ebihara, T. Tsuru and H. , “Cleavages along {110} in bcc iron emit dislocations from the curved crack fronts”, Scientific Reports, Vol.12, No.1, pp.19701-1-10 (2022).
5. 5) P. M. Anderson, J. P. Hirth and J. Lothe, “Theory of dislocations”, p.57 (2017) Cambridge University Press.
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