{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2018:PEDXO3LPNFROQEADOWMUOKJ6IZ","short_pith_number":"pith:PEDXO3LP","schema_version":"1.0","canonical_sha256":"7907776d6f6962e81003759947293e46638fb9dfa8e7012efce6ed6138e1f344","source":{"kind":"arxiv","id":"1803.00536","version":1},"attestation_state":"computed","paper":{"title":"Thermal Expansion in Dispersion-Bound Molecular Crystals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Biswajit Santra, Hsin-Yu Ko, Robert A. DiStasio Jr., Roberto Car","submitted_at":"2018-03-01T18:08:43Z","abstract_excerpt":"We explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with $ab$ $initio$ molecular dynamics yields cell parameters accurate to within 2% of experiment for a set of pyridine-like molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find"},"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":"1803.00536","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-03-01T18:08:43Z","cross_cats_sorted":[],"title_canon_sha256":"0d4e88dbe321763dd0583abd6fe56e5f68fd02200e27bd7c9536375680360614","abstract_canon_sha256":"e5e83c723897e42858b8557c986f21baf1cd33c738a05dde5deba716f2394ada"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:15:15.637067Z","signature_b64":"HmHJJCJr/Gk7J76iLVVYBUpPZwwApoFrqlmlMAYHTSgI4oYGAftXKN2ldfR9iJanTgdJmr2K2J2wyC5O7EuYDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7907776d6f6962e81003759947293e46638fb9dfa8e7012efce6ed6138e1f344","last_reissued_at":"2026-05-18T00:15:15.636459Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:15:15.636459Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Thermal Expansion in Dispersion-Bound Molecular Crystals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Biswajit Santra, Hsin-Yu Ko, Robert A. DiStasio Jr., Roberto Car","submitted_at":"2018-03-01T18:08:43Z","abstract_excerpt":"We explore how anharmonicity, nuclear quantum effects (NQE), many-body dispersion interactions, and Pauli repulsion influence thermal properties of dispersion-bound molecular crystals. Accounting for anharmonicity with $ab$ $initio$ molecular dynamics yields cell parameters accurate to within 2% of experiment for a set of pyridine-like molecular crystals at finite temperatures and pressures. From the experimental thermal expansion curve, we find that pyridine-I has a Debye temperature just above its melting point, indicating sizable NQE across the entire crystalline range of stability. We find"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1803.00536","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":"1803.00536","created_at":"2026-05-18T00:15:15.636539+00:00"},{"alias_kind":"arxiv_version","alias_value":"1803.00536v1","created_at":"2026-05-18T00:15:15.636539+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1803.00536","created_at":"2026-05-18T00:15:15.636539+00:00"},{"alias_kind":"pith_short_12","alias_value":"PEDXO3LPNFRO","created_at":"2026-05-18T12:32:43.782077+00:00"},{"alias_kind":"pith_short_16","alias_value":"PEDXO3LPNFROQEAD","created_at":"2026-05-18T12:32:43.782077+00:00"},{"alias_kind":"pith_short_8","alias_value":"PEDXO3LP","created_at":"2026-05-18T12:32:43.782077+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/PEDXO3LPNFROQEADOWMUOKJ6IZ","json":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ.json","graph_json":"https://pith.science/api/pith-number/PEDXO3LPNFROQEADOWMUOKJ6IZ/graph.json","events_json":"https://pith.science/api/pith-number/PEDXO3LPNFROQEADOWMUOKJ6IZ/events.json","paper":"https://pith.science/paper/PEDXO3LP"},"agent_actions":{"view_html":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ","download_json":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ.json","view_paper":"https://pith.science/paper/PEDXO3LP","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1803.00536&json=true","fetch_graph":"https://pith.science/api/pith-number/PEDXO3LPNFROQEADOWMUOKJ6IZ/graph.json","fetch_events":"https://pith.science/api/pith-number/PEDXO3LPNFROQEADOWMUOKJ6IZ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ/action/storage_attestation","attest_author":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ/action/author_attestation","sign_citation":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ/action/citation_signature","submit_replication":"https://pith.science/pith/PEDXO3LPNFROQEADOWMUOKJ6IZ/action/replication_record"}},"created_at":"2026-05-18T00:15:15.636539+00:00","updated_at":"2026-05-18T00:15:15.636539+00:00"}