{"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":null,"authors":[{"family":"Liu","given":"Zi-Kui"}],"availability":{"open_access_license":null,"pdf_redistributed":false,"read_by_orchid":"no","read_detail":[]},"candidate_systems_inferred":{"AL-CA-MG":"multi_seed_closure","AL-MG-SR":"multi_seed_closure","CA-CE-MG":"multi_seed_closure","F-K-NA":"single_seed_closure"},"citation":"Zi-Kui Liu, First-Principles Calculations and CALPHAD Modeling of Thermodynamics, Journal of Phase Equilibria and Diffusion 30(5) (2009) 517-534, https://doi.org/10.1007/s11669-009-9570-6","citation_printed":null,"container_title":"Journal of Phase Equilibria and Diffusion","container_title_short":"J. Phase Equilib. Diffus.","crossref":{"references_count":152,"references_deposited":152,"retrieved_at":"2026-10-23T14:09:08Z","status":"found"},"doi":"10.1007/s11669-009-9570-6","doi_check":null,"doi_match":null,"doi_url":"https://doi.org/10.1007/s11669-009-9570-6","evidence_summary":{},"id":"doi:10.1007/s11669-009-9570-6","id_basis":"doi","is_referenced_by_count":359,"is_referenced_by_count_retrieved":"2026-10-23","isbn":[],"issn":["1547-7037","1863-7345"],"issue":"5","issued":"2009-09-03","key":"pe789dd9c86fba482","language":"en","license":[{"content_version":"tdm","delay_in_days":0,"start":"2009-09-03","url":"http://www.springer.com/tdm"}],"metadata_source":"crossref","no_doi":false,"pages":"517-534","provenance":["open-tdb@9578e36367ce:catalog/discovery/higher-order-assessment-targets.json"],"publisher":"Springer Science and Business Media LLC","relation_counts":{"cited_by_crossref":{"in":70,"out":31}},"role_details":{"discovery_lead":{"candidate_systems_inferred":{"AL-CA-MG":"multi_seed_closure","AL-MG-SR":"multi_seed_closure","CA-CE-MG":"multi_seed_closure","F-K-NA":"single_seed_closure"},"crossref_confirmed_seed_count":20,"discovery_sources":["crossref","openalex","opencitations","semanticscholar"],"is_seed":false,"license_review":"needs_license_review","max_order":3,"rank":2703,"score":44,"snapshot":"open-tdb@9578e36367ce:catalog/discovery/higher-order-assessment-targets.json","systems_named_in_title":[]}},"roles":["discovery_lead"],"subtitle":null,"systems":[],"title":"First-Principles Calculations and CALPHAD Modeling of Thermodynamics","type":"journal-article","urls":{"html":"https://data.orchid-project.org/bibliography/pages/papers/pe789dd9c86fba482.html","json":"https://data.orchid-project.org/bibliography/papers/pe789dd9c86fba482.json"},"volume":"30","year":2009},"relations":[{"count":null,"direction":"in","edge_id":"ee161868aa0939d82","other":{"doi":"10.1007/s11669-018-0677-5","id":"doi:10.1007/s11669-018-0677-5","key":"pa810144c5379f917","title":"The Application of CALPHAD Calculations to Uranium-Based Metallic Nuclear Fuels","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e0493241af7f3d225","other":{"doi":"10.1007/s11669-018-0704-6","id":"doi:10.1007/s11669-018-0704-6","key":"p1cd291a200082da4","title":"Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e2659a0c43c04652b","other":{"doi":"10.1007/s11669-020-00777-6","id":"doi:10.1007/s11669-020-00777-6","key":"p2a388a61df2545d4","title":"Experimental Investigation of Phase Equilibria in the La-Fe-B System at 600 and 800 °C","year":2020},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"efa58cd182c82c734","other":{"doi":"10.1007/s11669-021-00905-w","id":"doi:10.1007/s11669-021-00905-w","key":"p5a613e36fd975f17","title":"Ab Initio Modeling of fcc Fe-Co-Cr-Ni High Entropy Alloys with Full Composition Range","year":2021},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e057534100409f83a","other":{"doi":"10.1007/s11669-022-00947-8","id":"doi:10.1007/s11669-022-00947-8","key":"p12e58b71b9e0ee51","title":"Thermodynamic Study of Er-Bi and Er-Te Systems by Combination of First-Principles Calculations and the CALPHAD Method","year":2022},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eabea217a03a46f02","other":{"doi":"10.1007/s11669-022-00968-3","id":"doi:10.1007/s11669-022-00968-3","key":"p7a1c7b7e174e986d","title":"Thermodynamic Reassessment of the Bi-Rb System Supported by Ab-Initio Calculations","year":2022},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eb931534297323d86","other":{"doi":"10.1007/s11669-025-01173-8","id":"doi:10.1007/s11669-025-01173-8","key":"p683904efeacea894","title":"Thermodynamic Assessment of the U-Ti-Zr System and Atomic Mobility of Its bcc Phase","year":2025},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ecff0026bbb0dff7d","other":{"doi":"10.1016/j.actamat.2012.09.029","id":"doi:10.1016/j.actamat.2012.09.029","key":"pa22b161734802eb3","title":"Defects in boron carbide: First-principles calculations and CALPHAD modeling","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e518bfb43021245e2","other":{"doi":"10.1016/j.actamat.2012.10.014","id":"doi:10.1016/j.actamat.2012.10.014","key":"pacfa31d54a7a74ff","title":"Experimental and computational studies of the Cu–Hf binary system","year":2013},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e8b441a0bd27c49e0","other":{"doi":"10.1016/j.actamat.2020.08.008","id":"doi:10.1016/j.actamat.2020.08.008","key":"pfcb3aeb2ef32b1d0","title":"Computational thermodynamics and its applications","year":2020},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e15e4a54aa79aa2ae","other":{"doi":"10.1016/j.actamat.2024.119747","id":"doi:10.1016/j.actamat.2024.119747","key":"p01fd5f38535e684c","title":"Thermodynamic modeling of Fe-Nb and Fe-Nb-Ni systems supported by first-principles calculations and diffusion-multiple measurements","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e8130cf30925aa709","other":{"doi":"10.1016/j.actamat.2025.121754","id":"doi:10.1016/j.actamat.2025.121754","key":"pca90b0473257960f","title":"Effect of Ag on the precipitation stability in Al-Mg-Si-Ag alloy: First-principles calculations, Calphad modeling and experimental validation","year":2026},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e702b2454f7cc50e7","other":{"doi":"10.1016/j.calphad.2010.01.005","id":"doi:10.1016/j.calphad.2010.01.005","key":"p8d19d222da328979","title":"First-principles calculations and thermodynamic modeling of Cs–In system","year":2010},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ef9fa9d0e59f78188","other":{"doi":"10.1016/j.calphad.2010.03.003","id":"doi:10.1016/j.calphad.2010.03.003","key":"p160d4b7ea76bfb3d","title":"Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results","year":2010},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ef7fc19d928aad960","other":{"doi":"10.1016/j.calphad.2010.10.008","id":"doi:10.1016/j.calphad.2010.10.008","key":"p463a2f343b856ec3","title":"First-principles calculations and thermodynamic modeling of the Al–Pt binary system","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ef0d9a17ecf8c6537","other":{"doi":"10.1016/j.calphad.2011.02.001","id":"doi:10.1016/j.calphad.2011.02.001","key":"p19db3c597f2e9372","title":"Experimental investigation and thermodynamic modeling of the Cu–Si–Zn system with the refined description for the Cu–Zn system","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e9fbc4c8530108280","other":{"doi":"10.1016/j.calphad.2011.04.005","id":"doi:10.1016/j.calphad.2011.04.005","key":"pab0620d3b03e01ac","title":"Thermodynamic modeling of fcc order/disorder transformations in the Co–Pt system","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ec697553033a65cf7","other":{"doi":"10.1016/j.calphad.2011.05.002","id":"doi:10.1016/j.calphad.2011.05.002","key":"pa63c88862b8188b9","title":"An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e95151d3246c9cd58","other":{"doi":"10.1016/j.calphad.2011.06.007","id":"doi:10.1016/j.calphad.2011.06.007","key":"pcfb1563697a95734","title":"An overview on phase equilibria and thermodynamic modeling in multicomponent Al alloys: Focusing on the Al–Cu–Fe–Mg–Mn–Ni–Si–Zn system","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eadcdec3f15289ee4","other":{"doi":"10.1016/j.calphad.2011.09.009","id":"doi:10.1016/j.calphad.2011.09.009","key":"p91cdf81ca9559987","title":"First-principles calculations of binary Al compounds: Enthalpies of formation and elastic properties","year":2011},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ee00c46a717259ae1","other":{"doi":"10.1016/j.calphad.2012.04.005","id":"doi:10.1016/j.calphad.2012.04.005","key":"p64175f0e0d5fc0b7","title":"First-principles calculations and thermodynamic re-modeling of the Hf–W system","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e55aad973eb30e6de","other":{"doi":"10.1016/j.calphad.2012.05.001","id":"doi:10.1016/j.calphad.2012.05.001","key":"pcded633c2d2c1507","title":"Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e1b71236eaa8258f2","other":{"doi":"10.1016/j.calphad.2013.02.006","id":"doi:10.1016/j.calphad.2013.02.006","key":"pcb86183fbc8ae98d","title":"First-principles aided thermodynamic modeling of the Nb–Re system","year":2013},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e6369297985d269f9","other":{"doi":"10.1016/j.calphad.2013.09.002","id":"doi:10.1016/j.calphad.2013.09.002","key":"pd6143735a409b96b","title":"Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations","year":2013},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"edb7db3c13378c86e","other":{"doi":"10.1016/j.calphad.2014.04.003","id":"doi:10.1016/j.calphad.2014.04.003","key":"pc4d985e8b630c8cd","title":"First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems","year":2014},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e79909463b1d48cea","other":{"doi":"10.1016/j.calphad.2015.09.003","id":"doi:10.1016/j.calphad.2015.09.003","key":"p655c6187918c6384","title":"Thermodynamics of Pd–Mn phases and extension to the Fe–Mn–Pd system","year":2015},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eb1c7c11cea1c028c","other":{"doi":"10.1016/j.calphad.2016.05.001","id":"doi:10.1016/j.calphad.2016.05.001","key":"p4d31a00a8b721f46","title":"Enthalpies of formation of TM–X compounds (X=Al, Ga, Si, Ge, Sn). Comparison of ab-initio values and experimental data","year":2016},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eb42c7b1c08c6580f","other":{"doi":"10.1016/j.calphad.2017.03.001","id":"doi:10.1016/j.calphad.2017.03.001","key":"p8bf04d366b99090d","title":"First-principles calculations and thermodynamic modeling of the Sn-Ta system","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ed49d27e21b6f618e","other":{"doi":"10.1016/j.calphad.2017.09.004","id":"doi:10.1016/j.calphad.2017.09.004","key":"p4a9759c3735a7c5f","title":"First-principles calculations and thermodynamic modeling of the Yb-Ni binary system","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e1c124cbeac05fb40","other":{"doi":"10.1016/j.calphad.2017.10.006","id":"doi:10.1016/j.calphad.2017.10.006","key":"p20091d1f760b8d74","title":"Thermodynamic modeling of phase equilibria and defect chemistry in the Zn-S system","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e69c6913eaea83d1a","other":{"doi":"10.1016/j.calphad.2018.02.004","id":"doi:10.1016/j.calphad.2018.02.004","key":"pcd80c85ddf4478aa","title":"Thermodynamic description of the Ti-Mo-Nb-Ta-Zr system and its implications for phase stability of Ti bio-implant materials","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e2f84140a0efe9e67","other":{"doi":"10.1016/j.calphad.2018.03.003","id":"doi:10.1016/j.calphad.2018.03.003","key":"pfd77fa6de9d2f1ed","title":"Thermodynamic modeling of the La-Te system aided by first-principles calculations","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e5811ad73dc836670","other":{"doi":"10.1016/j.calphad.2018.06.001","id":"doi:10.1016/j.calphad.2018.06.001","key":"pe8aaeee57179da9a","title":"Thermodynamic re-assessment of binary Cr-Nb system down to 0 K","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e1d1359abdbb64594","other":{"doi":"10.1016/j.calphad.2018.12.001","id":"doi:10.1016/j.calphad.2018.12.001","key":"pbe2df3bed65e8cb9","title":"Thermodynamic description of the Fe–Cu–C system","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eeb32259a9cdd6ca5","other":{"doi":"10.1016/j.calphad.2019.03.009","id":"doi:10.1016/j.calphad.2019.03.009","key":"p4e5104f97dd58763","title":"Thermodynamic modeling of the Si-Y system aided by first-principles and phonon calculations","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e116c90e3e8666647","other":{"doi":"10.1016/j.calphad.2019.04.007","id":"doi:10.1016/j.calphad.2019.04.007","key":"pb7b4b20fbb0f0fcc","title":"Critical review of phase equilibria in the Ni-Si-Zn ternary system and its thermodynamic description supported by first-principles calculations","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e0f564d6c6a064c89","other":{"doi":"10.1016/j.calphad.2020.101743","id":"doi:10.1016/j.calphad.2020.101743","key":"pa778d9ec6e1ff8b1","title":"Thermodynamic assessment of the Te-X (X = As, Si, Co) systems","year":2020},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eeac33e7ada9895d6","other":{"doi":"10.1016/j.calphad.2020.101766","id":"doi:10.1016/j.calphad.2020.101766","key":"p33d34c3672421dd2","title":"Thermodynamic reassessment of the Mo–Hf and Mo–Zr systems supported by first-principles calculations","year":2020},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e4945c7b0b8256fcf","other":{"doi":"10.1016/j.calphad.2021.102354","id":"doi:10.1016/j.calphad.2021.102354","key":"p7101cce15284e6de","title":"Experimental investigation and thermodynamic modeling of the Mo–Co–B ternary system","year":2021},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e3d7440eadf016444","other":{"doi":"10.1016/j.calphad.2021.102357","id":"doi:10.1016/j.calphad.2021.102357","key":"p16e8bb91dfdbe502","title":"Sm–Ti binary thermodynamic database and phase diagram","year":2021},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e627a294fe688b1ab","other":{"doi":"10.1016/j.calphad.2021.102386","id":"doi:10.1016/j.calphad.2021.102386","key":"p3d48b0972041981f","title":"Thermodynamic assessment of the Fe–Ni–Rh–Ti system","year":2022},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e304d9e491fc5a722","other":{"doi":"10.1016/j.calphad.2022.102491","id":"doi:10.1016/j.calphad.2022.102491","key":"pc085567adc295530","title":"Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts","year":2022},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e21933e63dee643dd","other":{"doi":"10.1016/j.calphad.2022.102522","id":"doi:10.1016/j.calphad.2022.102522","key":"p1ffbc21c5cc52c86","title":"New approach to the compound energy formalism (NACEF) Part II. Thermodynamic modelling of the Al–Nb system supported by first-principles calculations","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e473483a39b4d3548","other":{"doi":"10.1016/j.calphad.2023.102541","id":"doi:10.1016/j.calphad.2023.102541","key":"p63998e9869e04f86","title":"Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e50fd6c7448cde1db","other":{"doi":"10.1016/j.calphad.2023.102563","id":"doi:10.1016/j.calphad.2023.102563","key":"p9c428389872fc6a6","title":"Thermodynamic modeling of the Nb-Ni system with uncertainty quantification using PyCalphad and ESPEI","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eaae97e6a8cbf676b","other":{"doi":"10.1016/j.calphad.2023.102585","id":"doi:10.1016/j.calphad.2023.102585","key":"p6c6b84888c21ba6a","title":"Critical evaluation and thermodynamic modeling of the Al–Li binary system","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eefb09085eeb880f7","other":{"doi":"10.1016/j.calphad.2023.102658","id":"doi:10.1016/j.calphad.2023.102658","key":"p7884b722c7b853ce","title":"Al–Ni–Ti thermodynamic database from first-principles calculations","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e3d6fc19f0daaf809","other":{"doi":"10.1016/j.calphad.2024.102665","id":"doi:10.1016/j.calphad.2024.102665","key":"pe83fc1e08567ab5c","title":"Thermodynamic modeling of the Mo–Pt system based on the NACEF approach","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e38e1efdeff9135db","other":{"doi":"10.1016/j.calphad.2024.102689","id":"doi:10.1016/j.calphad.2024.102689","key":"p9bedcd69c8d6b684","title":"Experimental investigations and thermodynamic assessment of the Al–Er–Sc system","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e331b3e65e35632ed","other":{"doi":"10.1016/j.calphad.2025.102839","id":"doi:10.1016/j.calphad.2025.102839","key":"p008e3334d58530d6","title":"Experimental investigation and thermodynamic description of binary Er-Si and ternary Al-Si-Er systems","year":2025},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ef09c5cb17741cbdc","other":{"doi":"10.1016/j.calphad.2026.103006","id":"doi:10.1016/j.calphad.2026.103006","key":"pcda135b8e94103b5","title":"Thermodynamic modeling of pure elements from 0 K with uncertainty quantification using PyCalphad and ESPEI","year":2026},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e64b081a326dd2db6","other":{"doi":"10.1016/j.intermet.2010.08.032","id":"doi:10.1016/j.intermet.2010.08.032","key":"p06e20a995a993b0d","title":"First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system","year":2010},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eb9a15dc55c2fdfa9","other":{"doi":"10.1016/j.intermet.2013.10.010","id":"doi:10.1016/j.intermet.2013.10.010","key":"pab947e0d834ec0ee","title":"Glass formability of W-based alloys through thermodynamic modeling: W–Fe–Hf–Pd–Ta and W–Fe–Si–C","year":2014},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e971d8899ae654ab6","other":{"doi":"10.1016/j.intermet.2018.11.004","id":"doi:10.1016/j.intermet.2018.11.004","key":"p11bf4c3d92bbb118","title":"Thermodynamic analysis of the topologically close packed σ phase in the Co Cr system","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ed38634b79a9ce425","other":{"doi":"10.1016/j.jallcom.2016.10.037","id":"doi:10.1016/j.jallcom.2016.10.037","key":"p3e53c36a3c3e17e7","title":"First-principles calculations and thermodynamic modeling of the S-Se system and implications for chalcogenide alloys","year":2017},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ed6804394bc333d6a","other":{"doi":"10.1016/j.jallcom.2018.08.324","id":"doi:10.1016/j.jallcom.2018.08.324","key":"p3cb4a94cd80d22cb","title":"Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e02acb5ccf5e49a5f","other":{"doi":"10.1016/j.jmst.2022.11.056","id":"doi:10.1016/j.jmst.2022.11.056","key":"pf043c315a82fc68a","title":"Design of the rare-earth-containing materials based on the micro-alloying phase equilibria, phase diagrams and phase transformations","year":2023},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ea29048044f9034e4","other":{"doi":"10.1016/j.matpr.2019.08.196","id":"doi:10.1016/j.matpr.2019.08.196","key":"p01e04462607db0d4","title":"Calphad-type assessment of the Pd-Yb binary system supported by first-principles calculations – Part II: Results","year":2020},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e937e249d2c46e8e4","other":{"doi":"10.1016/j.mtla.2018.09.013","id":"doi:10.1016/j.mtla.2018.09.013","key":"p8cf7638c37a27381","title":"First-principles calculations and thermodynamic modelling of long periodic stacking ordered (LPSO) phases in Mg-Al-Gd","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e250ec4a470ba352b","other":{"doi":"10.1016/j.mtla.2024.102153","id":"doi:10.1016/j.mtla.2024.102153","key":"p8a370470ff0f222c","title":"MaterialsMap: A CALPHAD-based tool to design composition pathways through feasibility map for desired dissimilar materials, demonstrated with resistance spot welding joining of Ag-Al-Cu","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e482bef71d5745734","other":{"doi":"10.1016/j.solener.2015.12.013","id":"doi:10.1016/j.solener.2015.12.013","key":"p9819308bff730863","title":"Thermodynamics of the S–Sn system: Implication for synthesis of earth abundant photovoltaic absorber materials","year":2016},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e0f4ebe56ee206e5d","other":{"doi":"10.1016/j.tca.2018.08.011","id":"doi:10.1016/j.tca.2018.08.011","key":"p30eaa2310d826160","title":"A first-principles based description of the Hf-Ni system supported by high-temperature synchrotron experiments","year":2018},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e9511c22e90386c82","other":{"doi":"10.1021/acs.nanolett.6b02443","id":"doi:10.1021/acs.nanolett.6b02443","key":"p0c34820f4307793a","title":"Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>","year":2016},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"eb0ed26e3fdea92aa","other":{"doi":"10.1080/27660400.2024.2412968","id":"doi:10.1080/27660400.2024.2412968","key":"p02922f5078cf1904","title":"First-principles thermodynamic modeling for the Al-Nb-Ni ternary system","year":2024},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e67e8591ea67787ea","other":{"doi":"10.1088/1468-6996/16/5/055001","id":"doi:10.1088/1468-6996/16/5/055001","key":"p7665ceb5fc4fcf11","title":"Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system","year":2015},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ebd7c3572e44be8e4","other":{"doi":"10.1149/2.105309jes","id":"doi:10.1149/2.105309jes","key":"p605f353ee90206bf","title":"Defect Chemistry and Phase Equilibria of (La<sub>1-x</sub>Ca<sub>x</sub>)FeO<sub>3-δ</sub>Thermodynamic Modeling","year":2013},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e30e5f2ca1daf9312","other":{"doi":"10.1371/journal.pone.0121386","id":"doi:10.1371/journal.pone.0121386","key":"p3c6b79f4c4df2611","title":"First-Principles Calculations, Experimental Study, and Thermodynamic Modeling of the Al-Co-Cr System","year":2015},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"ea5b584be09f10ade","other":{"doi":"10.1557/jmr.2012.149","id":"doi:10.1557/jmr.2012.149","key":"pc14b36c5f630b9ec","title":"Thermodynamic modeling of La<sub>2</sub>O<sub>3</sub>–SrO–Mn<sub>2</sub>O<sub>3</sub>–Cr<sub>2</sub>O<sub>3</sub>for solid oxide fuel cell applications","year":2012},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e842f91595f8aa706","other":{"doi":"10.3390/ma12172728","id":"doi:10.3390/ma12172728","key":"pc29d5f33c742a2bb","title":"Carbides and Nitrides of Zirconium and Hafnium","year":2019},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"in","edge_id":"e8e46af8dfc175ae7","other":{"doi":"10.70675/f86491a8z96d9z4a3cz96daz5dca52c61c01","id":"doi:10.70675/f86491a8z96d9z4a3cz96daz5dca52c61c01","key":"pcb6b3a1c51059659","title":"Thermodynamic modeling and critical experiments on the Al-Fe-Nb system","year":2026},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eecc364f03a284113","other":{"doi":"10.1007/s11661-005-0133-0","id":"doi:10.1007/s11661-005-0133-0","key":"pa0320edb5590e099","title":"Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system","year":2005},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ef8d498537de80c98","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":"e9e7cc68381dbe02a","other":{"doi":"10.1016/j.actamat.2004.02.014","id":"doi:10.1016/j.actamat.2004.02.014","key":"p937b7168b8c38ac4","title":"Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations","year":2004},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e5f110960d8ac2a04","other":{"doi":"10.1016/j.actamat.2004.02.022","id":"doi:10.1016/j.actamat.2004.02.022","key":"p15474a63cb1f321c","title":"A combined CALPHAD/first-principles remodeling of the thermodynamics of Al–Sr: unsuspected ground state energies by “rounding up the (un)usual suspects”","year":2004},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e91dd023a5d9ea21b","other":{"doi":"10.1016/j.actamat.2006.06.017","id":"doi:10.1016/j.actamat.2006.06.017","key":"p6fbf9177ca433e66","title":"Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eeb57f07ae66f0b39","other":{"doi":"10.1016/j.calphad.2004.05.002","id":"doi:10.1016/j.calphad.2004.05.002","key":"pb0db47296e509779","title":"Ab initio lattice stability in comparison with CALPHAD lattice stability","year":2004},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ed376149ab420da59","other":{"doi":"10.1016/j.calphad.2005.01.002","id":"doi:10.1016/j.calphad.2005.01.002","key":"pb32b3a5983fac913","title":"Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys","year":2005},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e6364e60e131f6518","other":{"doi":"10.1016/j.calphad.2005.07.004","id":"doi:10.1016/j.calphad.2005.07.004","key":"p2f7cbf408afae449","title":"Modification of the thermodynamic model for the Mg–Zr system","year":2005},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e8f8671790e441f9f","other":{"doi":"10.1016/j.calphad.2005.08.004","id":"doi:10.1016/j.calphad.2005.08.004","key":"pbe916c5b5dd2c02f","title":"Contribution of first-principles energetics to Al–Mg thermodynamic modeling","year":2005},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e872502b071dc1508","other":{"doi":"10.1016/j.calphad.2005.12.006","id":"doi:10.1016/j.calphad.2005.12.006","key":"p3b43fde63fd51626","title":"Thermodynamic modelling of the Zn–Zr system","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ed760294d7a4ab7c6","other":{"doi":"10.1016/j.calphad.2006.08.006","id":"doi:10.1016/j.calphad.2006.08.006","key":"p83640aebea24615d","title":"Thermodynamic modeling of the Hf–Si–O system","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e834c2f2cca43dd22","other":{"doi":"10.1016/j.calphad.2006.09.002","id":"doi:10.1016/j.calphad.2006.09.002","key":"p4771be0f0fbaa0d1","title":"Ab initio lattice stabilities of some elemental complex structures","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e5a8d9d2a21e73670","other":{"doi":"10.1016/j.calphad.2008.05.003","id":"doi:10.1016/j.calphad.2008.05.003","key":"pd1df9e69eeb57c85","title":"Thermodynamic modeling of the Cu–Si system","year":2008},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e1c36725e8199f525","other":{"doi":"10.1016/j.calphad.2008.09.001","id":"doi:10.1016/j.calphad.2008.09.001","key":"p579ffa54a680cb7f","title":"Predictions of the Al-rich region of the Al–Co–Ni–Y system based upon first-principles and experimental data","year":2009},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ed98ee0fc90f9c88e","other":{"doi":"10.1016/j.intermet.2007.10.010","id":"doi:10.1016/j.intermet.2007.10.010","key":"pa70336d3da42af63","title":"Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system","year":2008},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e422ba14259845b3d","other":{"doi":"10.1016/j.jallcom.2005.06.037","id":"doi:10.1016/j.jallcom.2005.06.037","key":"p1dd354d9af57d1ab","title":"CALPHAD/first-principles re-modeling of the Co–Y binary system","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eee2a94e979542d10","other":{"doi":"10.1016/j.jallcom.2005.09.076","id":"doi:10.1016/j.jallcom.2005.09.076","key":"p90a0a1e6e0bb34c8","title":"Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e6e9d8784a3eeb9d9","other":{"doi":"10.1016/j.jallcom.2005.10.033","id":"doi:10.1016/j.jallcom.2005.10.033","key":"pa78fb7be81833fd9","title":"Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e2c0cb31bd7a1c04d","other":{"doi":"10.1016/j.jallcom.2006.03.096","id":"doi:10.1016/j.jallcom.2006.03.096","key":"pe0207dc6f69b6e75","title":"Thermodynamic modeling of the Ba–Ni–Ti system","year":2007},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"edc93829fd92b86b0","other":{"doi":"10.1016/j.jallcom.2007.09.020","id":"doi:10.1016/j.jallcom.2007.09.020","key":"p004dbe0dbf821fef","title":"Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method","year":2008},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ef129f108a880ceb7","other":{"doi":"10.1016/j.msea.2005.02.037","id":"doi:10.1016/j.msea.2005.02.037","key":"p8af90acd36e45d57","title":"First-principles calculations and thermodynamic modeling of the Ni–Mo system","year":2005},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ed520ed9fbdaf9365","other":{"doi":"10.1016/j.msea.2005.11.037","id":"doi:10.1016/j.msea.2005.11.037","key":"pd10fdbcc8caf5b88","title":"A combined first-principles calculation and thermodynamic modeling of the F–K–Na system","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ead7a0048ef430bc8","other":{"doi":"10.1016/s0364-5916(01)00049-9","id":"doi:10.1016/s0364-5916(01)00049-9","key":"pf66dccd456237c3b","title":"Thermodynamic re-assessment of the ternary system Al-Cr-Ni","year":2001},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e91297bc044f9340a","other":{"doi":"10.1016/s0364-5916(98)00034-0","id":"doi:10.1016/s0364-5916(98)00034-0","key":"p6a11a53a5c0062c3","title":"A thermodynamic assessment of the Au-Cu system","year":1998},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e66010f6753131afe","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":"e202e77bcc9103600","other":{"doi":"10.1103/physrevb.54.16533","id":"doi:10.1103/physrevb.54.16533","key":"p190d748fe7806af2","title":"Generalized gradient approximation for the exchange-correlation hole of a many-electron system","year":1996},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"eb2564a3483e12f42","other":{"doi":"10.1103/physrevb.59.1758","id":"doi:10.1103/physrevb.59.1758","key":"pd24f65e6db918cb5","title":"From ultrasoft pseudopotentials to the projector augmented-wave method","year":1999},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e63084608f38e1f29","other":{"doi":"10.1103/physrevb.66.012203","id":"doi:10.1103/physrevb.66.012203","key":"p9f568bf72b57c843","title":"Using Re-W σ-phase first-principles results in the Bragg-Williams approximation to calculate finite-temperature thermodynamic properties","year":2002},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ebe75c62dbb5a69f5","other":{"doi":"10.1103/physrevb.74.174118","id":"doi:10.1103/physrevb.74.174118","key":"p1552b60a6a5c9912","title":"Intermetallics in the<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mrow><mml:mi>Mg</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Ca</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Sn</mml:mi></mml:mrow></mml:math>ternary system: Structural, vibrational, and thermodynamic properties from first principles","year":2006},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"ec79e623952ec4483","other":{"doi":"10.1103/physrevb.75.092101","id":"doi:10.1103/physrevb.75.092101","key":"p09b9648b4ad37591","title":"Phase stability in<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mi>α</mml:mi></mml:math>- and<mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><mml:mi>β</mml:mi></mml:math>-rhombohedral boron","year":2007},"provenance":{"source":"crossref_reference_list"},"type":"cited_by_crossref"},{"count":null,"direction":"out","edge_id":"e57eb3455e53f6fbe","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"}]}
