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Chem. Chem. Phys."],"abstract":"<jats:p>This work reveals the heating-induced solid\u2013solid polymorphic transition mechanism of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) at high temperature by metadynamics simulations.<\/jats:p>","DOI":"10.1039\/d5cp00014a","type":"journal-article","created":{"date-parts":[[2025,6,30]],"date-time":"2025-06-30T21:40:45Z","timestamp":1751319645000},"page":"16012-16021","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Solid\u2013solid polymorphic transition of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20)\n                    <b>at high temperature<\/b>\n                    by metadynamics simulations"],"prefix":"10.1039","volume":"27","author":[{"given":"Chaoyu","family":"Wang","sequence":"first","affiliation":[{"name":"College of Smart Materials and Future Energy, Fudan University, Shanghai 200433, China"},{"name":"Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. Box +919-311, Mianyang, Sichuan 621999, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuchuan","family":"Shi","sequence":"additional","affiliation":[{"name":"Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. Box +919-311, Mianyang, Sichuan 621999, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4903-7392","authenticated-orcid":false,"given":"Chaoyang","family":"Zhang","sequence":"additional","affiliation":[{"name":"Institute of Chemical Materials, China Academy of Engineering Physics (CAEP), P.O. 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