{"paper":{"title":"Permutation invariant neural network prediction of vacancy formation under deformation and varying chemical environment in FCC high entropy alloys","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.dis-nn","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Swarnava Ghosh, Tanvir Sohail","submitted_at":"2026-08-07T17:31:15Z","abstract_excerpt":"Vacancy formation energies govern diffusion, irradiation damage, phase stability, and dynamic failure in high-entropy alloys (HEAs), yet their strong dependence on local chemical environments and mechanical deformation makes atomistic calculations prohibitively expensive for large-scale studies. Here, we develop an atomistically informed permutation invariant machine learning framework for predicting strain dependent vacancy formation energies in FCC HEAs from local atomic environments. The model employs a vacancy-centered representation constructed from objective geometric descriptors togethe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2608.07445","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2608.07445/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}