Features of Contact Interaction of BCC and FCC Metals

Abstract:

We carried out simulations of contact interaction between BCC iron crystallite and various pure FCC metals under shear loading by means of molecular dynamics. It was shown that the result of this interaction is the transformation of FCC atomic lattice of contacted material into BCC one within a thin layer in the contact zone. The results of simulations can be used to control strength of the interfacial layers of coated materials, as well as to understand the processes which are taking place in surface layers of materials under the contact.

• Periodical: Advanced Materials Research (Volume 1098)
• Pages: 110-114
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.1098.110
• Online since: April 2015
• Authors: Anton Yu. Nikonov*, Andrey I. Dmitriev, Igor A. Abrikosov
• Keywords: Contact Interaction, First-Principles Theory, Molecular Dynamics Simulation, Shear Deformation

References

[1] S.M. Foiles: MRS Bull Vol. 21(2) (1996), p.24−28.

[2] A. I. Dmitriev et al.: Phys. Mesomech. Vol. 14(1-2) (2011) p.24–31.

[3] Z.Q. Wang et al.: Phys. Rev. Vol. B35 (1987) p.9322–9325.

[4] B. Heinric et al.: Phys. Rev. Lett. Vol. 64 (1990) p.673–676.

[5] A. V. Ruban et al.: Rep. Prog. Phys. Vol. 71 (2008) 046501-1-30.

[6] I. A. Abrikosov et al.: Russian Physics Journal Vol. 56(9) (2014) p.1030–1038.

[7] S. A. Barannikova et al.: Solid State Commun. Vol. 152 (2012) p.784–787.

[8] L. Vitos et al.: Phys. Rev. Lett. Vol. 87 (2001) 156401-1-4.

[9] V. L. Morruzi, J. F. Janak, and K. Schwartz: Phys. Rev. Vol. B37 (1988) p.790.