[{"data":1,"prerenderedAt":-1},["ShallowReactive",2],{"detail-sidebar-cat-0-en-105":3,"doc-seo-657741-105":59,"doc-detail-657741-en":130},{"code":4,"msg":5,"data":6},0,"success",[7,13,18,23,28,33,38,43,48,51,55],{"id":8,"doc_module":4,"doc_module_name":9,"category_name":10,"show_sort_weight":11,"slug":12},1,"Document","Story & Novel",90,"story-novel",{"id":14,"doc_module":4,"doc_module_name":9,"category_name":15,"show_sort_weight":16,"slug":17},2,"Literature",80,"literature",{"id":19,"doc_module":4,"doc_module_name":9,"category_name":20,"show_sort_weight":21,"slug":22},4,"Exam",70,"exam",{"id":24,"doc_module":4,"doc_module_name":9,"category_name":25,"show_sort_weight":26,"slug":27},5,"Comic",60,"comic",{"id":29,"doc_module":4,"doc_module_name":9,"category_name":30,"show_sort_weight":31,"slug":32},6,"Technology",50,"technology",{"id":34,"doc_module":4,"doc_module_name":9,"category_name":35,"show_sort_weight":36,"slug":37},7,"Healthcare",40,"healthcare",{"id":39,"doc_module":4,"doc_module_name":9,"category_name":40,"show_sort_weight":41,"slug":42},8,"Research & Report",30,"research-report",{"id":44,"doc_module":4,"doc_module_name":9,"category_name":45,"show_sort_weight":46,"slug":47},9,"Religion & Spirituality",20,"religion-spirituality",{"id":46,"doc_module":4,"doc_module_name":9,"category_name":49,"show_sort_weight":46,"slug":50},"World Cup","world-cup",{"id":52,"doc_module":4,"doc_module_name":9,"category_name":53,"show_sort_weight":52,"slug":54},10,"Lifestyle","lifestyle",{"id":56,"doc_module":4,"doc_module_name":9,"category_name":57,"show_sort_weight":24,"slug":58},19,"General","general",{"code":4,"msg":60,"data":61},"ok",{"site_id":62,"language":63,"slug":64,"title":65,"keywords":66,"description":67,"schema_data":68,"social_meta":123,"head_meta":125,"extra_data":127,"updated_unix":129},105,"en","time-temperature-transformation-diagrams-to-navigate-the-nucleation-and-quenchability-of-metastable-lips4","Time-Temperature-Transformation Diagrams to Navigate the Nucleation and Quenchability of Metastable α-Li₃PS4","","α-Li₃PS₄ is a promising solid-state electrolyte with the highest ionic conductivity among its polymorphs. Its formation is thermodynamically paradoxical: the α phase is the high-temperature equilibrium state, yet it transforms to stable γ-Li₃PS₄ upon cooling, while metastable α-Li₃PS₄ can be synthesized and quenched after rapid heating at relatively low temperatures. Here a comprehensive time-temperature-transformation (TTT) framework resolves the paradox using computations and high-time-resolution isothermal experiments. DFT shows nanoscale stabilization via low surface energy lowers nucleation barriers, visualized by in-situ synchrotron XRD and microscopy.",{"@graph":69,"@context":122},[70,84,105],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":40,"@type":76,"position":81},"https://docshare.wps.com/document/research-report/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/time-temperature-transformation-diagrams-to-navigate-the-nucleation-and-quenchability-of-metastable-lips4/657741/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":99,"encodingFormat":97,"isAccessibleForFree":100,"interactionStatistic":101},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/time-temperature-transformation-diagrams-to-navigate-the-nucleation-and-quenchability-of-metastable-lips4/657741.png","ImageObject",300,407,{"name":92,"@type":93},"4398046744996","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-10-30","2026-10-26",true,{"@type":102,"interactionType":103,"userInteractionCount":19},"InteractionCounter",{"@type":104},"ViewAction",{"@type":106,"mainEntity":107},"FAQPage",[108,114,118],{"name":109,"@type":110,"acceptedAnswer":111},"What is the thermodynamic paradox in α-Li₃PS₄ formation?","Question",{"text":112,"@type":113},"The α phase is the equilibrium high-temperature state, but it should transform to stable γ-Li₃PS₄ on cooling. Yet metastable α-Li₃PS₄ can still be synthesized and quenched by rapid heating at relatively low temperatures.","Answer",{"name":115,"@type":110,"acceptedAnswer":116},"How does the proposed TTT diagram resolve the paradox?",{"text":117,"@type":113},"It combines a computational temperature-size phase diagram with high-time-resolution isothermal measurements to connect thermodynamic stability with kinetic nucleation and transformation pathways.",{"name":119,"@type":110,"acceptedAnswer":120},"Why is nanoscale α-phase stabilized according to the calculations?",{"text":121,"@type":113},"Density functional theory indicates the α phase has low surface energy at the nanoscale, which substantially lowers the nucleation barrier across a wide temperature range.","https://schema.org",{"og:url":83,"og:type":124,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":126,"canonical":83},"index,follow",{"doc_id":128,"site_id":62},657741,1792987725,{"code":4,"msg":5,"data":131},{"doc_id":128,"user_id":132,"nickname":92,"user_avatar":66,"doc_module":4,"category_id":39,"category_name":40,"doc_title":65,"doc_description":67,"doc_content":133,"file_id":134,"file_url":135,"file_type":136,"file_size":137,"view_count":19,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":138,"language":139,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":67,"update_tm":129,"read_time":143},4398046744996,"Time-Temperature-Transformation Diagrams to Navigate the Nucleation and Quenchability of Metastable α-Li₃PS4  \nAkira Miura,a†* Woohyeon Baek,b† Fujii,a Kiyoharu Tadanaga,a Rana Hossain,a Aichi Yamashita,c Yoshikazu Mizuguchi,c Chikako Moriyoshi,d Shintaro Kobayashi,e Shogo Kawaguchi,e Ding Jiong, f Shigeo Mori, f Atsushi Sakuda,g Akitoshi Hayashi,g,h Wenhao Sunb *  \na Faculty of Engineering, Hokkaido University, Kita 13, Nishi 8, Sapporo, 060-8628, Japan  \nb Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI, 48109, USA  \nc Department of Physics, Tokyo Metropolitan University, Hachioji, 192-0397, Japan  \nd Graduate School of Advanced Science and Engineering, Hiroshima University, 1-3-1, Kagamiyama, Higashihiroshima 739-8526, Japan  \ne Japan Synchrotron Radiation Research Institute, Sayo, Hyogo, 679-5198, Japan  \nf Department of Materials Science, Graduate School of Engineering, Osaka Metropolitan University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka, 599-8531, Japan  \ng Department of Applied Chemistry, Graduate School of Engineering, Osaka Metropolitan University, 1-1 Gakuen-cho, Naka-ku, Sakai, Osaka, 599-8531, Japan  \nh Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi 980-8577, Japan  \n† contributed equally Email: [amiura@eng.hokudai.ac.jp](amiura@eng.hokudai.ac.jp) (AM), [whsun@umich.edu](whsun@umich.edu) (WS)  \nAbstract: α-Li₃PS₄ is a promising solid-state electrolyte with the highest ionic conductivity among its polymorphs. However, its formation presents a thermodynamic paradox: the α -phase is the equilibrium phase at high temperature and transforms to the stable γ-Li3PS4 polymorph when cooled to room temperature; however, α-Li3PS4 can be synthesized and quenched in a metastable state via rapid heating at relatively low temperatures. The origin of this synthesizability and anomalous stability has remained elusive. Here, we resolve this paradox by establishing a comprehensive time-temperature-transformation (TTT) diagram, constructed from a computational temperature-size phase diagram and experimental hightime-resolution isothermal measurements. Our density functional theory calculations reveal that at the nanoscale, the α-phase is stabilized by its low surface energy, which drastically lowers the nucleation barrier across a wide temperature range. This size-dependent stabilization is directly visualized using in-situ synchrotron X-ray diffraction and electron microscopy, capturing the rapid nucleation of nano-sized α-phase and its subsequent slow transformation. This work presents a generalizable framework that integrates thermodynamic and kinetic factors for understanding nucleation and phase transformation mechanisms, providing a rational strategy for the targeted synthesis of functional metastable materials.  \nMetastable materials, ranging from traditional steel and glass to advanced battery materials, are crucial for a wide range of functional applications.1-3 Numerous synthesis techniques have been developed to obtain metastable materials, including topotactic intercalation, 1 ball milling,2 and rapid temperature control.3 Among these, controlling the heating profile remains a key strategy for producing metastable phases with desired properties. For instance, the classic composition-temperature phase diagram of the Fe-C system shows thermodynamically stable phases, while the temperature-time-transformation (TTT) diagram provides kinetic guidance for processing both stable and metastable phases in steel.4  \nMultidimensional phase diagrams, which extend beyond conventional twodimensional temperature-pressure or temperature-composition diagrams, can be powerful tools for capturing the thermodynamics and processing conditions for producing metastable materials.5 By combining first-principles theories and computations, we can achieve a predictive understanding to guide the synthesis and processing pathways of specific metastable phases.6,7 For e","cbCaivuxQqWZeYOF","https://ap.wps.com/l/cbCaivuxQqWZeYOF","pdf",1186643,21,"English","# Abstract\n# Thermodynamic paradox in α-Li₃PS₄ formation\n# Building comprehensive time-temperature-transformation (TTT) diagrams\n## Computational and experimental approaches","[{\"question\":\"What is the thermodynamic paradox in α-Li₃PS₄ formation?\",\"answer\":\"The α phase is the equilibrium high-temperature state, but it should transform to stable γ-Li₃PS₄ on cooling. Yet metastable α-Li₃PS₄ can still be synthesized and quenched by rapid heating at relatively low temperatures.\"},{\"question\":\"How does the proposed TTT diagram resolve the paradox?\",\"answer\":\"It combines a computational temperature-size phase diagram with high-time-resolution isothermal measurements to connect thermodynamic stability with kinetic nucleation and transformation pathways.\"},{\"question\":\"Why is nanoscale α-phase stabilized according to the calculations?\",\"answer\":\"Density functional theory indicates the α phase has low surface energy at the nanoscale, which substantially lowers the nucleation barrier across a wide temperature range.\"}]","Time-Temperature-Transformation Diagrams to Navigate the Nucleation and Quenchability of Metastable α-Li₃PS4 | PDF",53]