{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2013:RM7AQUWPAIIYWNZWMO56LTLAPD","short_pith_number":"pith:RM7AQUWP","canonical_record":{"source":{"id":"1303.5036","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2013-03-20T19:23:25Z","cross_cats_sorted":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"bb8c1e2f4887cdf3bf4652c5d9cdc2af0dcebb0bd3dce60e92a9a2ebb72927b0","abstract_canon_sha256":"39c13b409cd33d259d90eccec18a4c99be876d309fe3e518538c26b11a65a5c6"},"schema_version":"1.0"},"canonical_sha256":"8b3e0852cf02118b373663bbe5cd6078f723e89fd262095ab703aab205e663e1","source":{"kind":"arxiv","id":"1303.5036","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1303.5036","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"arxiv_version","alias_value":"1303.5036v1","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1303.5036","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"pith_short_12","alias_value":"RM7AQUWPAIIY","created_at":"2026-05-18T12:27:59Z"},{"alias_kind":"pith_short_16","alias_value":"RM7AQUWPAIIYWNZW","created_at":"2026-05-18T12:27:59Z"},{"alias_kind":"pith_short_8","alias_value":"RM7AQUWP","created_at":"2026-05-18T12:27:59Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2013:RM7AQUWPAIIYWNZWMO56LTLAPD","target":"record","payload":{"canonical_record":{"source":{"id":"1303.5036","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2013-03-20T19:23:25Z","cross_cats_sorted":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"bb8c1e2f4887cdf3bf4652c5d9cdc2af0dcebb0bd3dce60e92a9a2ebb72927b0","abstract_canon_sha256":"39c13b409cd33d259d90eccec18a4c99be876d309fe3e518538c26b11a65a5c6"},"schema_version":"1.0"},"canonical_sha256":"8b3e0852cf02118b373663bbe5cd6078f723e89fd262095ab703aab205e663e1","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:27:34.040487Z","signature_b64":"98SlOTkfwTNWtK6nkuhbtGSFXTRF/ghLbxbZ91J5SD80JVX09KRvdCeQDP498NZEQIi8T5XWTUNvcI8CYn0PDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"8b3e0852cf02118b373663bbe5cd6078f723e89fd262095ab703aab205e663e1","last_reissued_at":"2026-05-18T03:27:34.040065Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:27:34.040065Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1303.5036","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:27:34Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"srSP4vxtKVcEeXf8npiOYN22/xEx/1hoDTysTKA3zl1MrFjI0NO1mqCfQyDMduQMjVeZTK6Eov5nYFbGgsHHAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T00:49:07.343604Z"},"content_sha256":"432e2bfd88ea6e491a1c903c2ea00813e3ae139a906f1317300882c9323150a9","schema_version":"1.0","event_id":"sha256:432e2bfd88ea6e491a1c903c2ea00813e3ae139a906f1317300882c9323150a9"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2013:RM7AQUWPAIIYWNZWMO56LTLAPD","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Atomistic Simulations of Highly Conductive Molecular Transport Junctions Under Realistic Conditions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mes-hall","authors_text":"Amaury Melo Souza, Christopher R. Iacovella, Ivan Rungger, Peter T. Cummings, Stefano Sanvito, William R. French","submitted_at":"2013-03-20T19:23:25Z","abstract_excerpt":"We report state-of-the-art atomistic simulations combined with high-fidelity conductance calculations to probe structure-conductance relationships in Au-benzenedithiolate(BDT)-Au junctions under elongation. Our results demonstrate that large increases in conductance are associated with the formation of monatomic chains (MACs) of Au atoms directly connected to BDT. An analysis of the electronic structure of the simulated junctions reveals that enhancement in the s-like states in Au MACs causes the increases in conductance. Other structures also result in increased conductance but are too short-"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1303.5036","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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T03:27:34Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Pn6o7QTSA2Ijfkmx4tFbkjX0QmMx2yv0e4IhtpJnDWjL/+pLxjrO4wqYrS8rXOVWDmMTIzCpRqT/3xYue99ADw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T00:49:07.344353Z"},"content_sha256":"fa3d399a3adcc8d9b6be8d2001a72909a49b131975a3cd98cd3ce7d0fe60e742","schema_version":"1.0","event_id":"sha256:fa3d399a3adcc8d9b6be8d2001a72909a49b131975a3cd98cd3ce7d0fe60e742"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/bundle.json","state_url":"https://pith.science/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-05-30T00:49:07Z","links":{"resolver":"https://pith.science/pith/RM7AQUWPAIIYWNZWMO56LTLAPD","bundle":"https://pith.science/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/bundle.json","state":"https://pith.science/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/state.json","well_known_bundle":"https://pith.science/.well-known/pith/RM7AQUWPAIIYWNZWMO56LTLAPD/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:RM7AQUWPAIIYWNZWMO56LTLAPD","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":"39c13b409cd33d259d90eccec18a4c99be876d309fe3e518538c26b11a65a5c6","cross_cats_sorted":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2013-03-20T19:23:25Z","title_canon_sha256":"bb8c1e2f4887cdf3bf4652c5d9cdc2af0dcebb0bd3dce60e92a9a2ebb72927b0"},"schema_version":"1.0","source":{"id":"1303.5036","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1303.5036","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"arxiv_version","alias_value":"1303.5036v1","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1303.5036","created_at":"2026-05-18T03:27:34Z"},{"alias_kind":"pith_short_12","alias_value":"RM7AQUWPAIIY","created_at":"2026-05-18T12:27:59Z"},{"alias_kind":"pith_short_16","alias_value":"RM7AQUWPAIIYWNZW","created_at":"2026-05-18T12:27:59Z"},{"alias_kind":"pith_short_8","alias_value":"RM7AQUWP","created_at":"2026-05-18T12:27:59Z"}],"graph_snapshots":[{"event_id":"sha256:fa3d399a3adcc8d9b6be8d2001a72909a49b131975a3cd98cd3ce7d0fe60e742","target":"graph","created_at":"2026-05-18T03:27:34Z","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":"We report state-of-the-art atomistic simulations combined with high-fidelity conductance calculations to probe structure-conductance relationships in Au-benzenedithiolate(BDT)-Au junctions under elongation. Our results demonstrate that large increases in conductance are associated with the formation of monatomic chains (MACs) of Au atoms directly connected to BDT. An analysis of the electronic structure of the simulated junctions reveals that enhancement in the s-like states in Au MACs causes the increases in conductance. Other structures also result in increased conductance but are too short-","authors_text":"Amaury Melo Souza, Christopher R. Iacovella, Ivan Rungger, Peter T. Cummings, Stefano Sanvito, William R. French","cross_cats":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2013-03-20T19:23:25Z","title":"Atomistic Simulations of Highly Conductive Molecular Transport Junctions Under Realistic Conditions"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1303.5036","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":"sha256:432e2bfd88ea6e491a1c903c2ea00813e3ae139a906f1317300882c9323150a9","target":"record","created_at":"2026-05-18T03:27:34Z","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":"39c13b409cd33d259d90eccec18a4c99be876d309fe3e518538c26b11a65a5c6","cross_cats_sorted":["physics.atom-ph","physics.chem-ph","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2013-03-20T19:23:25Z","title_canon_sha256":"bb8c1e2f4887cdf3bf4652c5d9cdc2af0dcebb0bd3dce60e92a9a2ebb72927b0"},"schema_version":"1.0","source":{"id":"1303.5036","kind":"arxiv","version":1}},"canonical_sha256":"8b3e0852cf02118b373663bbe5cd6078f723e89fd262095ab703aab205e663e1","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"8b3e0852cf02118b373663bbe5cd6078f723e89fd262095ab703aab205e663e1","first_computed_at":"2026-05-18T03:27:34.040065Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:27:34.040065Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"98SlOTkfwTNWtK6nkuhbtGSFXTRF/ghLbxbZ91J5SD80JVX09KRvdCeQDP498NZEQIi8T5XWTUNvcI8CYn0PDw==","signature_status":"signed_v1","signed_at":"2026-05-18T03:27:34.040487Z","signed_message":"canonical_sha256_bytes"},"source_id":"1303.5036","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:432e2bfd88ea6e491a1c903c2ea00813e3ae139a906f1317300882c9323150a9","sha256:fa3d399a3adcc8d9b6be8d2001a72909a49b131975a3cd98cd3ce7d0fe60e742"],"state_sha256":"94299c58c3de25a0e2c856ebb50de613c094bbd2af250b204681bddca06832ff"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"DINEtI0Ipcy2KWDmg+CtgCwBxQZAW7IK6KUICOejSM8UkHcrBjp2Pp1UXwKDBx6k+disarx61rrG0VID0K4rDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-30T00:49:07.347737Z","bundle_sha256":"bba79c0dadb085b62815f0c33aa3b0609c4dd000361090452bd177f09e7e5afc"}}