{"paper":{"title":"Thermal Transport in Defective Uranium Nitride: Effects of Point Defects, Anharmonicity, and Electronic Contributions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"Point defects reduce thermal conductivity in uranium nitride most for uranium interstitials, with electronic contributions dominating above 600 K.","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Beihan Chen, David H. Hurley, Marat Khafizov, Miaomiao Jin, Zilong Hua","submitted_at":"2026-05-18T01:07:20Z","abstract_excerpt":"The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-1500 K. In pristine UN, temperature-dependent calculations of lattice thermal conductivity reveal that four-phonon scattering is essential yet sufficient to accurately capture high temperature anharmonic phonon transport, as evidenced by close agreement between GK and ShengBTE calculations including three- and four-phonon processes. In defective systems, all types of point defects significantly reduce thermal conduct"},"claims":{"count":4,"items":[{"kind":"strongest_claim","text":"The total thermal conductivity, incorporating electron-phonon coupling and an estimated electronic contribution, yields excellent agreement with experiment in the pristine system, with electronic contributions dominating thermal transport above 600 K. Moreover, with defect-electron contribution introduced through a semiclassical electron-defect scattering model, the total conductivity degradation follows IU, VU, IN, and VN in descending order, and electron-phonon coupling becomes negligible in defective systems.","source":"verdict.strongest_claim","status":"machine_extracted","claim_id":"C1","attestation":"unclaimed"},{"kind":"weakest_assumption","text":"The machine learning interatomic potential accurately captures anharmonic phonon interactions and defect-induced local strain effects in both pristine and defective uranium nitride, as required for the Green-Kubo and normal mode analysis results to be reliable across the temperature range.","source":"verdict.weakest_assumption","status":"machine_extracted","claim_id":"C2","attestation":"unclaimed"},{"kind":"one_line_summary","text":"Point defects reduce lattice thermal conductivity in UN at low temperatures with uranium interstitials causing broadest scattering, while electronic contributions dominate above 600 K and match experiment when included, becoming negligible in defective cases.","source":"verdict.one_line_summary","status":"machine_extracted","claim_id":"C3","attestation":"unclaimed"},{"kind":"headline","text":"Point defects reduce thermal conductivity in uranium nitride most for uranium interstitials, with electronic contributions dominating above 600 K.","source":"verdict.pith_extraction.headline","status":"machine_extracted","claim_id":"C4","attestation":"unclaimed"}],"snapshot_sha256":"07e3e1c23a9e62c0994b102b921fe0598d3ca903f59e3587bc20cde1d9112c9e"},"source":{"id":"2605.17726","kind":"arxiv","version":1},"verdict":{"id":"3b0eb4b5-1112-4309-9200-5ba46edafc08","model_set":{"reader":"grok-4.3"},"created_at":"2026-05-19T21:50:55.997107Z","strongest_claim":"The total thermal conductivity, incorporating electron-phonon coupling and an estimated electronic contribution, yields excellent agreement with experiment in the pristine system, with electronic contributions dominating thermal transport above 600 K. Moreover, with defect-electron contribution introduced through a semiclassical electron-defect scattering model, the total conductivity degradation follows IU, VU, IN, and VN in descending order, and electron-phonon coupling becomes negligible in defective systems.","one_line_summary":"Point defects reduce lattice thermal conductivity in UN at low temperatures with uranium interstitials causing broadest scattering, while electronic contributions dominate above 600 K and match experiment when included, becoming negligible in defective cases.","pipeline_version":"pith-pipeline@v0.9.0","weakest_assumption":"The machine learning interatomic potential accurately captures anharmonic phonon interactions and defect-induced local strain effects in both pristine and defective uranium nitride, as required for the Green-Kubo and normal mode analysis results to be reliable across the temperature range.","pith_extraction_headline":"Point defects reduce thermal conductivity in uranium nitride most for uranium interstitials, with electronic contributions dominating above 600 K."},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.17726/integrity.json","findings":[],"available":true,"detectors_run":[{"name":"doi_title_agreement","ran_at":"2026-05-19T22:01:19.434207Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"doi_compliance","ran_at":"2026-05-19T22:00:55.409525Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"shingle_duplication","ran_at":"2026-05-19T21:49:43.461788Z","status":"skipped","version":"0.1.0","findings_count":0},{"name":"citation_quote_validity","ran_at":"2026-05-19T21:49:43.291398Z","status":"skipped","version":"0.1.0","findings_count":0},{"name":"ai_meta_artifact","ran_at":"2026-05-19T21:33:23.495506Z","status":"skipped","version":"1.0.0","findings_count":0},{"name":"claim_evidence","ran_at":"2026-05-19T21:21:57.396417Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"cited_work_retraction","ran_at":"2026-05-19T21:21:56.904916Z","status":"completed","version":"1.0.0","findings_count":0}],"snapshot_sha256":"7d1a8b89dec94f2561f2f5ccaf1fabe9483a94202730a5eebecb53ae755fc61b"},"references":{"count":88,"sample":[{"doi":"","year":2013,"title":"Many-particle physics , author=. 2013 , publisher=","work_id":"03a7d918-205f-49f2-9079-390fe88d4a16","ref_index":1,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":null,"title":"M. 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