{
  "abstract": "One significant benefit of reactive element (RE) additions is the colossal improvement in oxide-scale retention during high-temperature oxidation. Selecting optimal RE dopants in high-entropy alloys remains empirical because the relevant thermodynamic landscape is inaccessible to first-principles at the required compositional resolution. Here we apply the macroscopic atom model, coupled with McLean isotherm and Guttmann models, to screen adhesion across nine CoCrFeMnNiAl sub-families at \\ce{Cr2O3} and \\ce{Al2O3} interfaces, ranking five REs (Hf, Y, Zr, La, Ti) for segregation, adhesion enhancement, and sulfur displacement. The screening reveals an oxide-dependent ranking inversion, with Hf dominating at \\ce{Cr2O3} and La dominating at \\ce{Al2O3}, driven by the interplay between RE--O and RE--matrix interaction enthalpies. Mn-containing alloys exhibit intrinsic sulfur resistance, consistent with their experimentally observed oxidation characteristics. A sulfur immunity phase diagram identifies compositions with Al~+~Mn~$\\gtrsim$~25~at\\% as thermodynamically immune to S-induced adhesion loss. All crossover concentrations collapse onto a universal exponential governed by the segregation enthalpy difference, providing a transferable design rule. Inverse design identifies \\ce{Co16Cr16Fe16Ni16Al35} as the optimal S-immune composition with $W_\\text{sep} = 5.95$~J/m$^2$ without RE doping.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2609.11640",
  "author_total": 2,
  "authors": [
    {
      "name": "Dennis Boakye"
    },
    {
      "name": "Chuang Deng"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/35cz4brqd3p2h.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2609.11640",
  "fulltext_url": null,
  "id": "35cz4brqd3p2h",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2609.11640",
  "language": null,
  "licence": "CC-BY-NC-ND-4.0",
  "licence_label": "CC BY-NC-ND 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "openalex",
      "2210|High Entropy Alloys Studies"
    ]
  ],
  "openalex": "W7212312538",
  "pdf_url": "https://arxiv.org/pdf/2609.11640",
  "pmcid": null,
  "pmid": null,
  "published": "2026-09-10",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/35cz4brqd3p2h.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:20:26Z",
      "native_id": "2609.11640",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2609.11640"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "High-throughput thermodynamic screening of oxide-scale adhesion across the CoCrFeMnNiAl high-entropy alloys",
  "title_text": "High-throughput thermodynamic screening of oxide-scale adhesion across the CoCrFeMnNiAl high-entropy alloys",
  "type": "preprint",
  "updated_at": "2026-10-30T12:20:26Z",
  "url": "https://research.draconitic.com/paper/35cz4brqd3p2h",
  "venue": "arXiv",
  "versions": []
}