{"cite_as":{"also_cite":["the papers themselves when you use their data (doi / citation of each bibliography record)"],"bibtex":"@misc{orchid_bibliography_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID-Bibliography: papers and typed citation relations}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23736021},\n  url       = {https://doi.org/10.5281/zenodo.23736021},\n  note      = {Version 1, machine-extracted}\n}","dataset":"bibliography","doi":"10.5281/zenodo.23736021","licence_note":"Crossref bibliographic metadata: CC0; ORCHID-derived fields (roles, evidence counts, relations): CC BY 4.0","license":"CC-BY-4.0","part_of":{"bibtex":"@misc{orchid_data_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23736065},\n  url       = {https://doi.org/10.5281/zenodo.23736065},\n  note      = {Version 1, machine-extracted}\n}","doi":"10.5281/zenodo.23736065","text":"R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065","title":"ORCHID data: umbrella record of the ORCHID datasets","url":"https://doi.org/10.5281/zenodo.23736065"},"release_tag":"v2026.10","status":"Version 1, machine-extracted: roles and evidence counts derive from machine-extracted literature values and link tables; bibliographic fields are Crossref metadata as deposited (DOIs matched from printed references checked against Crossref: doi_match; mismatches dropped).","text":"R. Arróyave, J. Saal, D. Shin, ORCHID-Bibliography: papers and typed citation relations (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736021","title":"ORCHID-Bibliography: papers and typed citation relations","url":"https://doi.org/10.5281/zenodo.23736021","version":"2026.10"},"licence":"Crossref bibliographic metadata: CC0. ORCHID-derived fields (roles, evidence, relations): CC BY 4.0.","paper":{"aliases":[],"article_number":"116516","authors":[{"family":"Alvares","given":"Ebert","orcid":"0000-0001-9002-3107","orcid_authenticated":false},{"family":"Rowberg","given":"Andrew J.E.","orcid":"0000-0002-2928-6917","orcid_authenticated":false},{"family":"Sellschopp","given":"Kai","orcid":"0000-0002-0003-2075","orcid_authenticated":false},{"family":"Wood","given":"Brandon C.","orcid":"0000-0002-1450-9719","orcid_authenticated":false},{"family":"Klassen","given":"Thomas","orcid":"0000-0002-9521-3273","orcid_authenticated":false},{"family":"Jerabek","given":"Paul","orcid":"0000-0002-2995-9755","orcid_authenticated":false},{"family":"Pistidda","given":"Claudio","orcid":"0000-0002-0706-6972","orcid_authenticated":false}],"availability":{"open_access_license":{"basis":"crossref_license_field","content_version":"vor","delay_in_days":0,"start":"2025-01-13","url":"http://creativecommons.org/licenses/by/4.0/"},"pdf_redistributed":false,"read_by_orchid":"no","read_detail":[]},"candidate_systems_inferred":{"CO-H-TI":"multi_seed_closure"},"citation":"Ebert Alvares, Andrew J.E. Rowberg, Kai Sellschopp, Brandon C. Wood, Thomas Klassen, Paul Jerabek et al., A thermodynamic approach to modeling multicomponent FeTi-based alloys for hydrogen storage, Scripta Materialia 259 (2025) 116516, https://doi.org/10.1016/j.scriptamat.2024.116516","citation_printed":null,"container_title":"Scripta Materialia","container_title_short":"Scripta Materialia","crossref":{"references_count":57,"references_deposited":57,"retrieved_at":"2026-10-23T14:22:02Z","status":"found"},"doi":"10.1016/j.scriptamat.2024.116516","doi_check":null,"doi_match":null,"doi_url":"https://doi.org/10.1016/j.scriptamat.2024.116516","evidence_summary":{},"id":"doi:10.1016/j.scriptamat.2024.116516","id_basis":"doi","is_referenced_by_count":11,"is_referenced_by_count_retrieved":"2026-10-23","isbn":[],"issn":["1359-6462"],"issue":null,"issued":"2025-04","key":"p5bd0aab39b0db001","language":"en","license":[{"content_version":"vor","delay_in_days":0,"start":"2025-01-13","url":"http://creativecommons.org/licenses/by/4.0/"},{"content_version":"tdm","delay_in_days":0,"start":"2025-04-01","url":"https://www.elsevier.com/legal/tdmrep-license"},{"content_version":"tdm","delay_in_days":0,"start":"2025-04-01","url":"https://www.elsevier.com/tdm/userlicense/1.0/"}],"metadata_source":"crossref","no_doi":false,"pages":"116516","provenance":["open-tdb@9578e36367ce:catalog/discovery/higher-order-assessment-targets.json"],"publisher":"Elsevier BV","relation_counts":{"cited_by_crossref":{"in":1,"out":23}},"role_details":{"discovery_lead":{"candidate_systems_inferred":{"CO-H-TI":"multi_seed_closure"},"crossref_confirmed_seed_count":14,"discovery_sources":["crossref","openalex","opencitations","semanticscholar"],"is_seed":false,"license_review":"needs_license_review","max_order":3,"rank":1050,"score":93,"snapshot":"open-tdb@9578e36367ce:catalog/discovery/higher-order-assessment-targets.json","systems_named_in_title":[]}},"roles":["discovery_lead"],"subtitle":null,"systems":[],"title":"A thermodynamic approach to modeling multicomponent FeTi-based alloys for hydrogen storage","type":"journal-article","urls":{"html":"https://data.orchid-project.org/bibliography/pages/papers/p5bd0aab39b0db001.html","json":"https://data.orchid-project.org/bibliography/papers/p5bd0aab39b0db001.json"},"volume":"259","year":2025},"relations":[{"count":null,"direction":"in","edge_id":"e54011dc26f94de3e","other":{"doi":"10.1016/j.actamat.2025.121514","id":"doi:10.1016/j.actamat.2025.121514","key":"pd21ee79ed49951c3","title":"Predicting hydrogen storage capacity loss of FeTi by ab initio thermodynamic modelling of Fe–Ti–Si phase equilibria","year":2025},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e173a80a6779bfaad","other":{"doi":"10.1007/bf02664987","id":"doi:10.1007/bf02664987","key":"pac2f7d8325711307","title":"An assessment of the Fe-C-Si system","year":1991},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eac09336d265c06e9","other":{"doi":"10.1007/s11661-001-0193-8","id":"doi:10.1007/s11661-001-0193-8","key":"pbf04e9efefb7591c","title":"Determination of the CoTi congruent melting point and thermodynamic reassessment of the Co-Ti system","year":2001},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ef7fa0fa636728c89","other":{"doi":"10.1007/s11661-999-0160-3","id":"doi:10.1007/s11661-999-0160-3","key":"pd4126caaad055235","title":"Thermodynamic assessment of the Al-Fe-Si system","year":1999},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ea2f9271cc5bca358","other":{"doi":"10.1007/s11669-016-0505-8","id":"doi:10.1007/s11669-016-0505-8","key":"pef8080fb42711788","title":"Experimental Investigation and Thermodynamic Calculations of the Co-Fe-Ti System","year":2016},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ea2807a8627ce6ec9","other":{"doi":"10.1007/s11669-017-0574-3","id":"doi:10.1007/s11669-017-0574-3","key":"p3a66b45536f1a088","title":"New Thermodynamic Assessment of the Fe-Y System","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ed519ecd7b13265d2","other":{"doi":"10.1007/s11669-024-01113-y","id":"doi:10.1007/s11669-024-01113-y","key":"p601d0741f54cc109","title":"Advances in CALPHAD Methodology for Modeling Hydrides: A Comprehensive Review","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e9843b50f41ef410e","other":{"doi":"10.1007/s11837-012-0462-6","id":"doi:10.1007/s11837-012-0462-6","key":"p2d561b4c7d3e3699","title":"CALPHAD Modeling of Metal–Hydrogen Systems: A Review","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e8b18b8a1103d83c9","other":{"doi":"10.1016/0040-6031(81)87031-1","id":"doi:10.1016/0040-6031(81)87031-1","key":"p2fabe9c4240d35ab","title":"The enthalphy of mixing of the intermediate phases in the systems FeTi, CoTi, and NiTi by direct reaction calorimetry","year":1981},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e5cdd7f733c34acb1","other":{"doi":"10.1016/0364-5916(91)90030-n","id":"doi:10.1016/0364-5916(91)90030-n","key":"p227ede60b45e6e38","title":"SGTE data for pure elements","year":1991},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e23761bfc2f255a80","other":{"doi":"10.1016/j.calphad.2007.03.003","id":"doi:10.1016/j.calphad.2007.03.003","key":"p72bdf1a4ad18b060","title":"Thermodynamic description of the Al–Fe–Ni system over the whole composition and temperature ranges: Modeling coupled with key experiment","year":2007},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e70b7213e1824a98e","other":{"doi":"10.1016/j.calphad.2008.08.007","id":"doi:10.1016/j.calphad.2008.08.007","key":"p79b189d3f87bb1ee","title":"Thermodynamic description of the Al–Fe–Zr system","year":2008},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eef69aee65afee792","other":{"doi":"10.1016/j.calphad.2008.10.003","id":"doi:10.1016/j.calphad.2008.10.003","key":"p625cd79f6040bff9","title":"Thermodynamic modeling and optimization of the Fe–Ni–Ti system","year":2009},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ea7a36da1a99404b3","other":{"doi":"10.1016/j.calphad.2009.01.002","id":"doi:10.1016/j.calphad.2009.01.002","key":"pc0de67186565664e","title":"Thermodynamic investigation of the galvanizing systems, I: Refinement of the thermodynamic description for the Fe–Zn system","year":2009},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e2a790e886a51d459","other":{"doi":"10.1016/j.calphad.2012.06.010","id":"doi:10.1016/j.calphad.2012.06.010","key":"p5d6e2f8c69e69616","title":"Thermodynamic modeling of the Fe–Ti–V system","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e37066cd84720b0ce","other":{"doi":"10.1016/j.calphad.2016.12.007","id":"doi:10.1016/j.calphad.2016.12.007","key":"p4567b2b072e75316","title":"Thermodynamic modeling of Ti-Fe-Cr ternary system","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e93f4b9f44c4c41f7","other":{"doi":"10.1016/j.calphad.2023.102594","id":"doi:10.1016/j.calphad.2023.102594","key":"p5d9effa9b1bf6c30","title":"Phase equilibria and thermodynamic re-assessment of the Cu–Ti system","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e819f5415af99c203","other":{"doi":"10.1016/j.ijhydene.2012.01.117","id":"doi:10.1016/j.ijhydene.2012.01.117","key":"pbe93692372738da6","title":"Effect of alloying elements (Al, Co, Fe, Ni) on the solubility of hydrogen in vanadium: A thermodynamic calculation","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"efd5f247f1ab0447e","other":{"doi":"10.1016/j.intermet.2020.106978","id":"doi:10.1016/j.intermet.2020.106978","key":"p5962cb59df626f59","title":"Thermodynamic modelling of magnetic laves phase in Fe–Ti system using first principle method","year":2021},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e1af690c80375f068","other":{"doi":"10.1021/ie50458a036","id":"doi:10.1021/ie50458a036","key":"p09fe487bb06f56bd","title":"Algebraic Representation of Thermodynamic Properties and the Classification of Solutions","year":1948},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e721ee296af4a2cba","other":{"doi":"10.1063/1.4812323","id":"doi:10.1063/1.4812323","key":"p0c4d335dda759af6","title":"Commentary: The Materials Project: A materials genome approach to accelerating materials innovation","year":2013},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e83976db4187cf1e9","other":{"doi":"10.1103/physrevlett.77.3865","id":"doi:10.1103/physrevlett.77.3865","key":"paec4379380a214a3","title":"Generalized Gradient Approximation Made Simple","year":1996},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e3f003913cf9ee547","other":{"doi":"10.1557/jmr.2008.0035","id":"doi:10.1557/jmr.2008.0035","key":"p0a1de669d746023b","title":"Thermodynamic descriptions of the Cu–Zn system","year":2008},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ef9238df8bbec6f1c","other":{"doi":"10.2320/jinstmet.71.721","id":"doi:10.2320/jinstmet.71.721","key":"pe7d43caed83a6f39","title":"Thermodynamic Analysis of the Ti-H and Zr-H Binary Phase Diagrams","year":2007},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"}]}
