{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:6D3PWCZRAURBL2WJYS3LXPWOIJ","short_pith_number":"pith:6D3PWCZR","schema_version":"1.0","canonical_sha256":"f0f6fb0b31052215eac9c4b6bbbece427540d3a4ef9339609784a59fcdf5c9ff","source":{"kind":"arxiv","id":"2512.09702","version":1},"attestation_state":"computed","paper":{"title":"Molecular Dynamics Simulations of $\\gamma$-Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bernadeta Prus, J\\\"org Behler","submitted_at":"2025-12-10T14:50:57Z","abstract_excerpt":"Belite -- dicalcium silicate Ca$_2$SiO$_4$ -- is a main constituent of low-carbon cement. In this work, we study several terminations of the (010) surface of $\\gamma$-belite, its most stable polymorph, by molecular dynamics simulations. The energies and forces are provided by a high-dimensional neural network potential trained to density functional theory data. Water can interact in molecular form as well as dissociatively with the investigated interfaces, and the degree of dissociation is determined primarily by the protonation of SiO$_4$ groups accessible at the surface. A major part of the "},"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":"2512.09702","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2025-12-10T14:50:57Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"d1d9ae2502321c8466ffdd21f7e3b2cafe0d781b697a1dde6e18ce7ad8dc8f84","abstract_canon_sha256":"23ad1b9cad7fd2dec49976f5d0b91d6a44d187ae74dac12878011223182c86e2"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-01T01:17:43.754551Z","signature_b64":"V4/2B8F1dDvwbooRdpM4fiCd7KonHEqe5T+Br/mcMPATMma11FxMGtu4rzS95zbm8V5zVM++n6Ntd0tSzk8TBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f0f6fb0b31052215eac9c4b6bbbece427540d3a4ef9339609784a59fcdf5c9ff","last_reissued_at":"2026-07-01T01:17:43.754011Z","signature_status":"signed_v1","first_computed_at":"2026-07-01T01:17:43.754011Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Molecular Dynamics Simulations of $\\gamma$-Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Bernadeta Prus, J\\\"org Behler","submitted_at":"2025-12-10T14:50:57Z","abstract_excerpt":"Belite -- dicalcium silicate Ca$_2$SiO$_4$ -- is a main constituent of low-carbon cement. In this work, we study several terminations of the (010) surface of $\\gamma$-belite, its most stable polymorph, by molecular dynamics simulations. The energies and forces are provided by a high-dimensional neural network potential trained to density functional theory data. Water can interact in molecular form as well as dissociatively with the investigated interfaces, and the degree of dissociation is determined primarily by the protonation of SiO$_4$ groups accessible at the surface. A major part of the "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2512.09702","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/2512.09702/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2512.09702","created_at":"2026-07-01T01:17:43.754077+00:00"},{"alias_kind":"arxiv_version","alias_value":"2512.09702v1","created_at":"2026-07-01T01:17:43.754077+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2512.09702","created_at":"2026-07-01T01:17:43.754077+00:00"},{"alias_kind":"pith_short_12","alias_value":"6D3PWCZRAURB","created_at":"2026-07-01T01:17:43.754077+00:00"},{"alias_kind":"pith_short_16","alias_value":"6D3PWCZRAURBL2WJ","created_at":"2026-07-01T01:17:43.754077+00:00"},{"alias_kind":"pith_short_8","alias_value":"6D3PWCZR","created_at":"2026-07-01T01:17:43.754077+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/6D3PWCZRAURBL2WJYS3LXPWOIJ","json":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ.json","graph_json":"https://pith.science/api/pith-number/6D3PWCZRAURBL2WJYS3LXPWOIJ/graph.json","events_json":"https://pith.science/api/pith-number/6D3PWCZRAURBL2WJYS3LXPWOIJ/events.json","paper":"https://pith.science/paper/6D3PWCZR"},"agent_actions":{"view_html":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ","download_json":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ.json","view_paper":"https://pith.science/paper/6D3PWCZR","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2512.09702&json=true","fetch_graph":"https://pith.science/api/pith-number/6D3PWCZRAURBL2WJYS3LXPWOIJ/graph.json","fetch_events":"https://pith.science/api/pith-number/6D3PWCZRAURBL2WJYS3LXPWOIJ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ/action/storage_attestation","attest_author":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ/action/author_attestation","sign_citation":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ/action/citation_signature","submit_replication":"https://pith.science/pith/6D3PWCZRAURBL2WJYS3LXPWOIJ/action/replication_record"}},"created_at":"2026-07-01T01:17:43.754077+00:00","updated_at":"2026-07-01T01:17:43.754077+00:00"}