{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:E244CCGRHIACA6TUPG7PPH65QG","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"4d3550e35cea87c7e1470dc71b1fc611a42ec5f5d0181f696c74628d301a3c56","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2017-06-30T17:14:13Z","title_canon_sha256":"383cf19a2c7f11a5124d9250ef5786a49f11c3f5aa8afd140d64c3960b348afb"},"schema_version":"1.0","source":{"id":"1706.10277","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1706.10277","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"arxiv_version","alias_value":"1706.10277v1","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1706.10277","created_at":"2026-05-18T00:33:16Z"},{"alias_kind":"pith_short_12","alias_value":"E244CCGRHIAC","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_16","alias_value":"E244CCGRHIACA6TU","created_at":"2026-05-18T12:31:12Z"},{"alias_kind":"pith_short_8","alias_value":"E244CCGR","created_at":"2026-05-18T12:31:12Z"}],"graph_snapshots":[{"event_id":"sha256:eaa062bafaf1da56994231037a497af8c8b17a0c70966a5dc97dbfe167c35a39","target":"graph","created_at":"2026-05-18T00:33:16Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the phase transformation takes place through a concerted rearrangement of CO$_2$ molecules, which unfolds via an anisotropic expansion of the CO$_2$ supercell. Furthermore, at high pressures we find that defected form I configurations are thermodynamically more stable with respect to form I without structural defects. Our computational approach shows the capabilit","authors_text":"Ilaria Gimondi, Matteo Salvalaglio","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2017-06-30T17:14:13Z","title":"CO2 packing polymorphism under pressure: mechanism and thermodynamics of the I-III polymorphic transition"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1706.10277","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:38e3aab2fe6cf80e10d2a9567a1cd26c6e78a895284a694abf66248614f0451f","target":"record","created_at":"2026-05-18T00:33:16Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"4d3550e35cea87c7e1470dc71b1fc611a42ec5f5d0181f696c74628d301a3c56","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2017-06-30T17:14:13Z","title_canon_sha256":"383cf19a2c7f11a5124d9250ef5786a49f11c3f5aa8afd140d64c3960b348afb"},"schema_version":"1.0","source":{"id":"1706.10277","kind":"arxiv","version":1}},"canonical_sha256":"26b9c108d13a00207a7479bef79fdd818e190ff43f6a905fc968d316b4db0ae1","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"26b9c108d13a00207a7479bef79fdd818e190ff43f6a905fc968d316b4db0ae1","first_computed_at":"2026-05-18T00:33:16.824618Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:33:16.824618Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"MQwCkaThYlE8IbwwGDOZ68cY8hZ1upFQOUen2DnE7hQBgCC3QzZTw29uGmjSieMSwLU45iTPdI+0x7v0U6eNAg==","signature_status":"signed_v1","signed_at":"2026-05-18T00:33:16.825140Z","signed_message":"canonical_sha256_bytes"},"source_id":"1706.10277","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:38e3aab2fe6cf80e10d2a9567a1cd26c6e78a895284a694abf66248614f0451f","sha256:eaa062bafaf1da56994231037a497af8c8b17a0c70966a5dc97dbfe167c35a39"],"state_sha256":"7fde23e1b41967e3f5a0ef1db7920b6fcae55d4337f1a7a1ad3bc918613a9393"}