{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2011:IQPTQAW4UXOR6XTQFAN6ZXOSOY","short_pith_number":"pith:IQPTQAW4","schema_version":"1.0","canonical_sha256":"441f3802dca5dd1f5e70281becddd2761f655079d7bab370bdcb1bc5ff3634b9","source":{"kind":"arxiv","id":"1101.4559","version":1},"attestation_state":"computed","paper":{"title":"Electronic redistribution around oxygen atoms in silicate melts by ab initio molecular dynamics simulation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"B. Guillot, N. Sator, R. Vuilleumier","submitted_at":"2011-01-24T14:59:02Z","abstract_excerpt":"The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the use of maximally localized Wannier orbitals to represent the electronic ground state of the simulated system, one is able to quantify the redistribution of electronic density around oxygen atoms as a function of the cationic environment and melt composition. It is shown that the structure of the melt in the immediate vicinity of the oxygen atoms modulates the distribution of the Wannier orbitals associated with oxygen"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1101.4559","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-01-24T14:59:02Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"ceda24ca6a0e2e04234819f71e27ad8f94e7385cd9abef7c9e1b9457a04fb3e4","abstract_canon_sha256":"123821a3c804299b1df6fca52720df046f825059ffcbf0ff5fab414a0cb7574f"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:03:24.703400Z","signature_b64":"u7PYVdZRPEU4RztXAFCPuzhgxaqXiqq9pUZhgN0uPZ/Ws+2fwt6f4/8Ak6WupF+Rn6Vz7qhCNvpuTbWBaTF1DQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"441f3802dca5dd1f5e70281becddd2761f655079d7bab370bdcb1bc5ff3634b9","last_reissued_at":"2026-05-18T02:03:24.702678Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:03:24.702678Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Electronic redistribution around oxygen atoms in silicate melts by ab initio molecular dynamics simulation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"B. Guillot, N. Sator, R. Vuilleumier","submitted_at":"2011-01-24T14:59:02Z","abstract_excerpt":"The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation. Thanks to the use of maximally localized Wannier orbitals to represent the electronic ground state of the simulated system, one is able to quantify the redistribution of electronic density around oxygen atoms as a function of the cationic environment and melt composition. It is shown that the structure of the melt in the immediate vicinity of the oxygen atoms modulates the distribution of the Wannier orbitals associated with oxygen"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1101.4559","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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1101.4559","created_at":"2026-05-18T02:03:24.702791+00:00"},{"alias_kind":"arxiv_version","alias_value":"1101.4559v1","created_at":"2026-05-18T02:03:24.702791+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1101.4559","created_at":"2026-05-18T02:03:24.702791+00:00"},{"alias_kind":"pith_short_12","alias_value":"IQPTQAW4UXOR","created_at":"2026-05-18T12:26:32.869790+00:00"},{"alias_kind":"pith_short_16","alias_value":"IQPTQAW4UXOR6XTQ","created_at":"2026-05-18T12:26:32.869790+00:00"},{"alias_kind":"pith_short_8","alias_value":"IQPTQAW4","created_at":"2026-05-18T12:26:32.869790+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY","json":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY.json","graph_json":"https://pith.science/api/pith-number/IQPTQAW4UXOR6XTQFAN6ZXOSOY/graph.json","events_json":"https://pith.science/api/pith-number/IQPTQAW4UXOR6XTQFAN6ZXOSOY/events.json","paper":"https://pith.science/paper/IQPTQAW4"},"agent_actions":{"view_html":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY","download_json":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY.json","view_paper":"https://pith.science/paper/IQPTQAW4","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1101.4559&json=true","fetch_graph":"https://pith.science/api/pith-number/IQPTQAW4UXOR6XTQFAN6ZXOSOY/graph.json","fetch_events":"https://pith.science/api/pith-number/IQPTQAW4UXOR6XTQFAN6ZXOSOY/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY/action/timestamp_anchor","attest_storage":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY/action/storage_attestation","attest_author":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY/action/author_attestation","sign_citation":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY/action/citation_signature","submit_replication":"https://pith.science/pith/IQPTQAW4UXOR6XTQFAN6ZXOSOY/action/replication_record"}},"created_at":"2026-05-18T02:03:24.702791+00:00","updated_at":"2026-05-18T02:03:24.702791+00:00"}