{"title":"Al-Cu二元体系中Guinier-Preston区形成的热力学研究","authors":"Takao Suzuki , Takahiro Yabe , Masanori Enoki , Hiroshi Ohtani","doi":"10.1016/j.scriptamat.2025.116746","DOIUrl":null,"url":null,"abstract":"<div><div>The thermodynamic mechanism of Guinier–Preston (GP) zone formation in the Al–Cu system was examined. The free energy of the FCC phase was initially calculated, considering the volume change due to the difference in atomic radii between Al and Cu. This free energy was analyzed based on the CALPHAD method, calculating the phase diagram of a metastable equilibrium between the ordered structure with a GP(II) structure and the disordered FCC phase. Furthermore, the time–temperature–transformation curve for spinodal decomposition was calculated using the Cahn–Hilliard equation. The results showed that below 200 K, a spinodal decomposition occurred between the disordered FCC and the GP(II) phase, and no decomposition occurred at higher temperatures. With the direct introduction of effective cluster interactions in Monte Carlo simulations, spontaneous and continuous transformation from GP(I) to GP(II) was observed at 200 K, but no such change was observed at 300 K.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"265 ","pages":"Article 116746"},"PeriodicalIF":5.3000,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Thermodynamic investigation of Guinier–Preston zone formation in the Al–Cu binary system\",\"authors\":\"Takao Suzuki , Takahiro Yabe , Masanori Enoki , Hiroshi Ohtani\",\"doi\":\"10.1016/j.scriptamat.2025.116746\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The thermodynamic mechanism of Guinier–Preston (GP) zone formation in the Al–Cu system was examined. The free energy of the FCC phase was initially calculated, considering the volume change due to the difference in atomic radii between Al and Cu. This free energy was analyzed based on the CALPHAD method, calculating the phase diagram of a metastable equilibrium between the ordered structure with a GP(II) structure and the disordered FCC phase. Furthermore, the time–temperature–transformation curve for spinodal decomposition was calculated using the Cahn–Hilliard equation. The results showed that below 200 K, a spinodal decomposition occurred between the disordered FCC and the GP(II) phase, and no decomposition occurred at higher temperatures. With the direct introduction of effective cluster interactions in Monte Carlo simulations, spontaneous and continuous transformation from GP(I) to GP(II) was observed at 200 K, but no such change was observed at 300 K.</div></div>\",\"PeriodicalId\":423,\"journal\":{\"name\":\"Scripta Materialia\",\"volume\":\"265 \",\"pages\":\"Article 116746\"},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2025-05-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Scripta Materialia\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S135964622500209X\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S135964622500209X","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Thermodynamic investigation of Guinier–Preston zone formation in the Al–Cu binary system
The thermodynamic mechanism of Guinier–Preston (GP) zone formation in the Al–Cu system was examined. The free energy of the FCC phase was initially calculated, considering the volume change due to the difference in atomic radii between Al and Cu. This free energy was analyzed based on the CALPHAD method, calculating the phase diagram of a metastable equilibrium between the ordered structure with a GP(II) structure and the disordered FCC phase. Furthermore, the time–temperature–transformation curve for spinodal decomposition was calculated using the Cahn–Hilliard equation. The results showed that below 200 K, a spinodal decomposition occurred between the disordered FCC and the GP(II) phase, and no decomposition occurred at higher temperatures. With the direct introduction of effective cluster interactions in Monte Carlo simulations, spontaneous and continuous transformation from GP(I) to GP(II) was observed at 200 K, but no such change was observed at 300 K.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.