{"paper":{"title":"High-precision molecular dynamics simulation of UO2-PuO2: superionic transition in uranium dioxide","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"A.S. Boyarchenkov, A.Ya. Kupryazhkin, K.A. Nekrasov, S.I. Potashnikov","submitted_at":"2011-02-08T09:53:15Z","abstract_excerpt":"Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-oxide (MOX) fuel in the rigid ions approximation using high-performance graphics processors (GPU). In this article we assess the 10 most relevant interatomic sets of pair potential (SPP) by reproduction of the Bredig superionic phase transition (anion sublattice premelting) in uranium dioxide. The measurements carried out in a wide temperature range from 300K up to melting point with 1K accuracy allowed reliable detection of this phase transition with each SPP. The {\\lambda}-peaks obtained are s"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1102.1553","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":""},"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"}