Surface lattice Green’s functions for high-entropy alloys

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 alloys 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 q−2 with wavevector q towards the Γ-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-point. Our results are a first step towards efficient contact calculations and Peierls–Nabarro type models for dislocations in high-entropy alloys

Object Details

• Location: Deutsche Nationalbibliothek Frankfurt am Main
• Extent: Online-Ressource
• Language: Englisch
• Notes: Modelling and simulation in materials science and engineering. - 30, 1 (2022) , 015007, ISSN: 1361-651X

Contributors, Places and Time

• Event: Veröffentlichung
• (where): Freiburg
• (who): Universität
• (when): 2022
• Creator: Nöhring, Wolfram G. ; Grießer, Jan ; Dondl, Patrick W. ; Pastewka, Lars

Further information

• DOI: 10.1088/1361-651X/ac3ca2
• URN: urn:nbn:de:bsz:25-freidok-2241712
• Rights: Kein Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
• Last update: 15.08.2025, 7:25 AM CEST