{"paper":{"title":"Melt-Quench Failures and Practical Solutions for Universal Machine-Learning Interatomic Potentials in Amorphous Structure Generation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Shuwei Li, Wenqiang Yang, Xingyu Guo, Yuqi An, Zhenbin Wang","submitted_at":"2026-06-15T08:17:17Z","abstract_excerpt":"Generating experimentally relevant amorphous structures via melt-quench molecular dynamics is prohibitively expensive at the first-principles level. Universal machine-learning interatomic potentials (uMLIPs) could accelerate such simulations, but their reliability under non-equilibrium conditions remains unclear. Here, we examine eight leading uMLIPs for generating amorphous IrO2, using this electrocatalytically relevant oxide as a diagnostic case. Under the conventional melt-quench protocol, all models yield unphysically expanded structures with densities of 1-4 g/cm3, far below the ab initio"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.16385","kind":"arxiv","version":2},"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/2606.16385/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"}