{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T17:13:19Z","timestamp":1788282799200,"version":"build-2803163510"},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T00:00:00Z","timestamp":1736467200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T00:00:00Z","timestamp":1736467200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T00:00:00Z","timestamp":1736467200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100012226","name":"Fundamental Research Funds for the Central Universities","doi-asserted-by":"publisher","award":["N2225045"],"award-info":[{"award-number":["N2225045"]}],"id":[{"id":"10.13039\/501100012226","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["51974081"],"award-info":[{"award-number":["51974081"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["52341402"],"award-info":[{"award-number":["52341402"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2025,1,23]]},"DOI":"10.1021\/acs.jpcb.4c07434","type":"journal-article","created":{"date-parts":[[2025,1,10]],"date-time":"2025-01-10T13:19:42Z","timestamp":1736515182000},"page":"1007-1015","source":"Crossref","is-referenced-by-count":6,"title":["Study on Microscopic Properties of Molten NaF\u2013AlF<sub>3<\/sub>\u2013CaF<sub>2<\/sub>\/LiF\/KF Using First-Principles Molecular Dynamics"],"prefix":"10.1021","volume":"129","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-9199-5626","authenticated-orcid":true,"given":"Wendi","family":"Zhang","sequence":"first","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8722-276X","authenticated-orcid":true,"given":"Xianwei","family":"Hu","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mouhamadou Aziz","family":"Diop","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongguang","family":"Kang","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jiangyu","family":"Yu","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aimin","family":"Liu","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6550-9172","authenticated-orcid":true,"given":"Zhongning","family":"Shi","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhaowen","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory for Ecological Metallurgy of Multimetallic Mineral (Ministry of Education), School of Metallurgy, Northeastern University, Shenyang, Liaoning 110819, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,1,10]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/s11837-016-2150-4"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1051\/metal\/2018136"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2023.122485"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/S1003-6326(11)60728-0"},{"key":"ref5\/cit5","first-page":"799","volume-title":"Light Metals","author":"Xianwei H.","year":"2012"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b06905"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ic1019845"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp013114l"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jp4080459"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.molliq.2016.05.064"},{"key":"ref11\/cit11","unstructured":"Galli, G. M. Parrinello in Computer Simulation in Material Science; Meyer, M.; Pontikis, V., Eds. Springer 1991."},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.1828433"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1134\/S0036024423070142"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP00377K"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2019.06.060"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2021.111294"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.jfluchem.2020.109546"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp44302g"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1605"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP05272B"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.1c03786"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1007\/s11663-020-01800-4"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1007\/s11663-010-9462-5"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21224"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/5.0007045"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00118"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2004.12.014"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.2770708"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.58.3641"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.1543154"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.1734110"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005078"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","DOI":"10.1002\/9783527843435","volume-title":"Exploring Chemical Concepts Through Theory and Computation","author":"Liu S.","year":"2024","edition":"1"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(83)80005-0"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.4c07434","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.4c07434","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,23]],"date-time":"2025-01-23T09:19:49Z","timestamp":1737623989000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcb.4c07434"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,1,10]]},"references-count":40,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2025,1,23]]}},"alternative-id":["10.1021\/acs.jpcb.4c07434"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.4c07434","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,1,10]]}}}