Surface lattice Green's functions for high-entropy alloys
Modelling and Simulation in Materials Science and Engineering, ISSN: 1361-651X, Vol: 30, Issue: 1
2022
- 7Captures
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Article Description
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.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85122875926&origin=inward; http://dx.doi.org/10.1088/1361-651x/ac3ca2; https://iopscience.iop.org/article/10.1088/1361-651X/ac3ca2; https://dx.doi.org/10.1088/1361-651x/ac3ca2; https://validate.perfdrive.com/9730847aceed30627ebd520e46ee70b2/?ssa=5d235742-9aca-47c9-bd16-ba427c9ddaa3&ssb=37654250856&ssc=https%3A%2F%2Fiopscience.iop.org%2Farticle%2F10.1088%2F1361-651X%2Fac3ca2&ssi=c31d8b74-cnvj-4f4e-aa2b-63064fd8436d&ssk=botmanager_support@radware.com&ssm=34620060674697526305023322273658535&ssn=8a78c3a9a9504f9b3c3604d73fb0c867c18f6e9c6c62-bdb9-4deb-87bdbc&sso=21d00081-d7b4100be1c4d07c92798deac4e375462dddd6208a91b8d3&ssp=81273822471729790939172995929481236&ssq=15396274338212122526206969610910849593863&ssr=NTIuMy4yMTcuMjU0&sst=com.plumanalytics&ssu=&ssv=&ssw=&ssx=eyJyZCI6ImlvcC5vcmciLCJ1em14IjoiN2Y5MDAwZjE4MDUxZmYtNjRmOS00MmIyLWI5NTAtOTA0ZDU2OWUyZWUyNC0xNzI5NzA2OTY5NTIzMjM2NDEzMDY5LTdiMDRjZjk5YmQ3OTJhNDAzMDQ5MCIsIl9fdXptZiI6IjdmNjAwMGU1YTcxYmRkLTQ2MTctNDVmNS05Mjk4LTI0ZWRjZjkwODdhMDE3Mjk3MDY5Njk1MjMyMzY0MTMwNjktZjI5MTE0ZWVjNWIxY2VjZTMwNDk2In0=
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