Large-Scale Atomistic Simulations of Cleavage in BCC Fe using Machine-Learning Potential
Author:
Affiliation:
1. Center for Computational Science and e-Systems, Japan Atomic Energy Agency
2. Nuclear Science and Engineering Center, Japan Atomic Energy Agency
3. 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_129/_pdf
Reference16 articles.
1. 1) W. Tyson, R.A. Ayres and D.F. Stein, “Anisotropy of cleavage in BCC transition metals ”, Acta Metallur-gica, Vol.21, No.5, pp.621–627 (1973).
2. 2) S. Kohlhoff, P. Gumbsch and H.F. Fischmeister, “Crack propagation in bcc crystals studied with a combined finite-element and atomistic model ”, Philosophical Magazine A, Vol.64, No.4, pp.851–878 (1991).
3. 3) T. Suzudo, K. Ebihara and T. Tsuru, “Brittle-fracture simulations of curved cleavage cracks in α-iron: A molecular dynamics study ”, AIP Advances, Vol. 10, No.11, p.115209 (2020).
4. 4) J.-J. Mo¨ller and E. Bitzek, “Comparative study of embedded atom potentials for atomistic simulations of fracture in α-iron ”, Modelling and Simulation in Materials Science and Engineering, Vol.22, No.4, p. 045002 (2014).
5. 5) J.-J. Mo¨ller, M. Mrovec, I. Bleskov, J. Neugebauer, T. Hammerschmidt, R. Drautz, C. Elsa¨sser, T. Hickel and E. Bitzek, “{110} planar faults in strained bcc metals: Origins and implications of a commonly ob-served artifact of classical potentials ”, Physical Re-view Materials, Vol.2, No.9, p.093606 (2018).
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