V. P. Vorob’eva, A. E. Zelenaya, V. I. Lutsyk, V. A. Vorozhtcov, V. I. Almjashev, V. L. Stolyarova
{"title":"ZrO2–SiO2–Al2O3系统的状态图，通过计算机三维模型进行可视化，并使用核能数据库进行计算","authors":"V. P. Vorob’eva, A. E. Zelenaya, V. I. Lutsyk, V. A. Vorozhtcov, V. I. Almjashev, V. L. Stolyarova","doi":"10.1134/S0012501623600079","DOIUrl":null,"url":null,"abstract":"<p>A computer 3D-model was presented for the isobaric phase diagram of the ZrO<sub>2</sub>–SiO<sub>2</sub>–Al<sub>2</sub>O<sub>3</sub> system with the formation of the ZrSiO<sub>4</sub> and Al<sub>6</sub>Si<sub>2</sub>O<sub>13</sub> compounds. Its geometric structure was derived through the sequential construction of a scheme of phase reactions, including all polymorphic transitions in the subsolidus and the rearrangement of the interaction of binary compounds, as well as zirconium and aluminum oxides; its transformation into a scheme of uni- and invariant states in the tabular and graphical (3D) forms; and the construction of a prototype and its transformation into a spatial model of the phase diagram of the real ZrO<sub>2</sub>–SiO<sub>2</sub>–Al<sub>2</sub>O<sub>3</sub> system. Features of the iso- and polythermal sections of the phase diagram of the considered system, which were calculated using the thermodynamic NUCLEA database, were discussed in comparison with the sections of the obtained 3D-model.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":"511 1","pages":"107 - 116"},"PeriodicalIF":1.1000,"publicationDate":"2023-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"State Diagram of the ZrO2–SiO2–Al2O3 System with Visualization by Computer 3D-Model and Calculation Using the NUCLEA Database\",\"authors\":\"V. P. Vorob’eva, A. E. Zelenaya, V. I. Lutsyk, V. A. Vorozhtcov, V. I. Almjashev, V. L. Stolyarova\",\"doi\":\"10.1134/S0012501623600079\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>A computer 3D-model was presented for the isobaric phase diagram of the ZrO<sub>2</sub>–SiO<sub>2</sub>–Al<sub>2</sub>O<sub>3</sub> system with the formation of the ZrSiO<sub>4</sub> and Al<sub>6</sub>Si<sub>2</sub>O<sub>13</sub> compounds. Its geometric structure was derived through the sequential construction of a scheme of phase reactions, including all polymorphic transitions in the subsolidus and the rearrangement of the interaction of binary compounds, as well as zirconium and aluminum oxides; its transformation into a scheme of uni- and invariant states in the tabular and graphical (3D) forms; and the construction of a prototype and its transformation into a spatial model of the phase diagram of the real ZrO<sub>2</sub>–SiO<sub>2</sub>–Al<sub>2</sub>O<sub>3</sub> system. Features of the iso- and polythermal sections of the phase diagram of the considered system, which were calculated using the thermodynamic NUCLEA database, were discussed in comparison with the sections of the obtained 3D-model.</p>\",\"PeriodicalId\":532,\"journal\":{\"name\":\"Doklady Physical Chemistry\",\"volume\":\"511 1\",\"pages\":\"107 - 116\"},\"PeriodicalIF\":1.1000,\"publicationDate\":\"2023-10-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Doklady Physical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0012501623600079\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Doklady Physical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0012501623600079","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
State Diagram of the ZrO2–SiO2–Al2O3 System with Visualization by Computer 3D-Model and Calculation Using the NUCLEA Database
A computer 3D-model was presented for the isobaric phase diagram of the ZrO2–SiO2–Al2O3 system with the formation of the ZrSiO4 and Al6Si2O13 compounds. Its geometric structure was derived through the sequential construction of a scheme of phase reactions, including all polymorphic transitions in the subsolidus and the rearrangement of the interaction of binary compounds, as well as zirconium and aluminum oxides; its transformation into a scheme of uni- and invariant states in the tabular and graphical (3D) forms; and the construction of a prototype and its transformation into a spatial model of the phase diagram of the real ZrO2–SiO2–Al2O3 system. Features of the iso- and polythermal sections of the phase diagram of the considered system, which were calculated using the thermodynamic NUCLEA database, were discussed in comparison with the sections of the obtained 3D-model.
期刊介绍：
Doklady Physical Chemistry is a monthly journal containing English translations of current Russian research in physical chemistry from the Physical Chemistry sections of the Doklady Akademii Nauk (Proceedings of the Russian Academy of Sciences). The journal publishes the most significant new research in physical chemistry being done in Russia, thus ensuring its scientific priority. Doklady Physical Chemistry presents short preliminary accounts of the application of the state-of-the-art physical chemistry ideas and methods to the study of organic and inorganic compounds and macromolecules; polymeric, inorganic and composite materials as well as corresponding processes. The journal is intended for scientists in all fields of chemistry and in interdisciplinary sciences.
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