{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2021:JH2F6U7TGIYT3CFJVEAVWNPUAE","short_pith_number":"pith:JH2F6U7T","canonical_record":{"source":{"id":"2102.00943","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-02-01T16:19:34Z","cross_cats_sorted":["physics.atm-clus"],"title_canon_sha256":"16fa88953d6f238f26ca1abafa544d5ee8e30ea5bfcd65e6958077bea594f548","abstract_canon_sha256":"a15e3e4073cf0bc7f278495cf54c5fc841c00399d116994a2cbdd34ff97b9a2b"},"schema_version":"1.0"},"canonical_sha256":"49f45f53f332313d88a9a9015b35f4010e51608b0ccbcc98ef74f8615c50e194","source":{"kind":"arxiv","id":"2102.00943","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2102.00943","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"arxiv_version","alias_value":"2102.00943v1","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2102.00943","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_12","alias_value":"JH2F6U7TGIYT","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_16","alias_value":"JH2F6U7TGIYT3CFJ","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_8","alias_value":"JH2F6U7T","created_at":"2026-07-05T02:11:16Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2021:JH2F6U7TGIYT3CFJVEAVWNPUAE","target":"record","payload":{"canonical_record":{"source":{"id":"2102.00943","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-02-01T16:19:34Z","cross_cats_sorted":["physics.atm-clus"],"title_canon_sha256":"16fa88953d6f238f26ca1abafa544d5ee8e30ea5bfcd65e6958077bea594f548","abstract_canon_sha256":"a15e3e4073cf0bc7f278495cf54c5fc841c00399d116994a2cbdd34ff97b9a2b"},"schema_version":"1.0"},"canonical_sha256":"49f45f53f332313d88a9a9015b35f4010e51608b0ccbcc98ef74f8615c50e194","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T02:11:16.886378Z","signature_b64":"M1RL7pGBCdAMZhUfjfn8wq/rNIkDosZJA6vqZ9nzOmVGxQXu1OqU3JDUW9BmZX1KLZAZUhRNwNZtOcKNvjDZBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"49f45f53f332313d88a9a9015b35f4010e51608b0ccbcc98ef74f8615c50e194","last_reissued_at":"2026-07-05T02:11:16.885843Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T02:11:16.885843Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2102.00943","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":"2026-07-05T02:11:16Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"A3mz+A0BrcX/dr6PhHAFrM2dEV7Nf1pNq1cj3xrtnl+RLuZTPVaGgX8NOAUhQcfkIwAQusG3aQUKpT8eTAFxAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-11T09:49:57.951658Z"},"content_sha256":"b148a4d541db3085d41576b3bed8c660c8e6e302173fd7ef171cbd4be51b426f","schema_version":"1.0","event_id":"sha256:b148a4d541db3085d41576b3bed8c660c8e6e302173fd7ef171cbd4be51b426f"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2021:JH2F6U7TGIYT3CFJVEAVWNPUAE","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"ReaxFF Reactive Force Field Development for Cu/Si Systems and application to Copper Cluster Formation During Cu Diffusion Inside Silicon","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atm-clus"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Adri C.T. van Duin, Jonathan E. Mueller, Kamyar Akbari Roshan, Mahdi Khajeh Talkhoncheh, William A. Goddard III","submitted_at":"2021-02-01T16:19:34Z","abstract_excerpt":"Transition metal impurities such as nickel, copper, and iron, in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits and solar cells. To study the impact of copper impurities inside bulk silicon on the electrical properties of the material, one needs to understand the configurational space of copper atoms incorporated inside the silicon lattice. In this work, we performed ReaxFF reactive force field based molecular dynamics simulations, studying different configurations of individual and crystalline copper atoms inside bulk silicon "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2102.00943","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2102.00943/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T02:11:16Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8mpQ9VPtGyt+aIBN1mLxDULVALPTWkJ726LRTBp3DkY11dbEBQqXLp91MyuRDk/yOFxX09pFYvfN15Tbwj44DQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-11T09:49:57.952042Z"},"content_sha256":"ca81c522568e6b9d6ac2da94876a974630ef666291677b39b8c49b881451b49e","schema_version":"1.0","event_id":"sha256:ca81c522568e6b9d6ac2da94876a974630ef666291677b39b8c49b881451b49e"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/bundle.json","state_url":"https://pith.science/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/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":"2026-07-11T09:49:57Z","links":{"resolver":"https://pith.science/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE","bundle":"https://pith.science/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/bundle.json","state":"https://pith.science/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/state.json","well_known_bundle":"https://pith.science/.well-known/pith/JH2F6U7TGIYT3CFJVEAVWNPUAE/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:JH2F6U7TGIYT3CFJVEAVWNPUAE","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":"a15e3e4073cf0bc7f278495cf54c5fc841c00399d116994a2cbdd34ff97b9a2b","cross_cats_sorted":["physics.atm-clus"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-02-01T16:19:34Z","title_canon_sha256":"16fa88953d6f238f26ca1abafa544d5ee8e30ea5bfcd65e6958077bea594f548"},"schema_version":"1.0","source":{"id":"2102.00943","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2102.00943","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"arxiv_version","alias_value":"2102.00943v1","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2102.00943","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_12","alias_value":"JH2F6U7TGIYT","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_16","alias_value":"JH2F6U7TGIYT3CFJ","created_at":"2026-07-05T02:11:16Z"},{"alias_kind":"pith_short_8","alias_value":"JH2F6U7T","created_at":"2026-07-05T02:11:16Z"}],"graph_snapshots":[{"event_id":"sha256:ca81c522568e6b9d6ac2da94876a974630ef666291677b39b8c49b881451b49e","target":"graph","created_at":"2026-07-05T02:11:16Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2102.00943/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Transition metal impurities such as nickel, copper, and iron, in solid-state materials like silicon have a significant impact on the electrical performance of integrated circuits and solar cells. To study the impact of copper impurities inside bulk silicon on the electrical properties of the material, one needs to understand the configurational space of copper atoms incorporated inside the silicon lattice. In this work, we performed ReaxFF reactive force field based molecular dynamics simulations, studying different configurations of individual and crystalline copper atoms inside bulk silicon ","authors_text":"Adri C.T. van Duin, Jonathan E. Mueller, Kamyar Akbari Roshan, Mahdi Khajeh Talkhoncheh, William A. Goddard III","cross_cats":["physics.atm-clus"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-02-01T16:19:34Z","title":"ReaxFF Reactive Force Field Development for Cu/Si Systems and application to Copper Cluster Formation During Cu Diffusion Inside Silicon"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2102.00943","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:b148a4d541db3085d41576b3bed8c660c8e6e302173fd7ef171cbd4be51b426f","target":"record","created_at":"2026-07-05T02:11:16Z","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":"a15e3e4073cf0bc7f278495cf54c5fc841c00399d116994a2cbdd34ff97b9a2b","cross_cats_sorted":["physics.atm-clus"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2021-02-01T16:19:34Z","title_canon_sha256":"16fa88953d6f238f26ca1abafa544d5ee8e30ea5bfcd65e6958077bea594f548"},"schema_version":"1.0","source":{"id":"2102.00943","kind":"arxiv","version":1}},"canonical_sha256":"49f45f53f332313d88a9a9015b35f4010e51608b0ccbcc98ef74f8615c50e194","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"49f45f53f332313d88a9a9015b35f4010e51608b0ccbcc98ef74f8615c50e194","first_computed_at":"2026-07-05T02:11:16.885843Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T02:11:16.885843Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"M1RL7pGBCdAMZhUfjfn8wq/rNIkDosZJA6vqZ9nzOmVGxQXu1OqU3JDUW9BmZX1KLZAZUhRNwNZtOcKNvjDZBg==","signature_status":"signed_v1","signed_at":"2026-07-05T02:11:16.886378Z","signed_message":"canonical_sha256_bytes"},"source_id":"2102.00943","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:b148a4d541db3085d41576b3bed8c660c8e6e302173fd7ef171cbd4be51b426f","sha256:ca81c522568e6b9d6ac2da94876a974630ef666291677b39b8c49b881451b49e"],"state_sha256":"62349003599dfa77c4d55ea4e8115f0cc41e412a14b947212535441535e64196"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"7N01a5meL1yWa00I6W9oIuAsTytzH3mFQq2bF2BtUchbI3ZEo+no8l/oBXS0pWsZCUgkHqkFGvIAHYUmFxr9Ag==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-11T09:49:57.954223Z","bundle_sha256":"233dfcef380d53726c0f672eb07566db4103a36d39e82bfb9a149b9afaf027ad"}}