English

Surface lattice Green's functions for high-entropy alloys

Materials Science 2022-01-11 v1

Abstract

We study the surface elastic response of pure Ni, the random alloy FeNiCr and an average FeNiCr alloy in terms of the surface lattice Green's function. We propose a scheme for computing per-site Green's function and study their per-site variations. The average FeNiCr alloy accurately reproduces the mean Green's function of the full random alloy. Variation around this mean is largest near the edge of the surface Brillouin-zone and decays as q2q^{-2} with wavevector qq towards the Γ\Gamma-point. We also present expressions for the continuum surface Green's function of anisotropic solids of finite and infinite thickness and show that the atomistic Green's function approaches continuum near the Γ\Gamma-point. Our results are a first step towards efficient contact calculations and Peierls-Nabarro type models for dislocations in high-entropy alloys.

Keywords

Cite

@article{arxiv.2101.12519,
  title  = {Surface lattice Green's functions for high-entropy alloys},
  author = {Wolfram Georg Nöhring and Jan Grießer and Patrick Dondl and Lars Pastewka},
  journal= {arXiv preprint arXiv:2101.12519},
  year   = {2022}
}

Comments

15 pages, 7 figures