Tohid Naseri, Daniel Larouche, Rémi Martinez, Francis Breton
{"title":"准稳态下多组分析出物的混合模式生长","authors":"Tohid Naseri, Daniel Larouche, Rémi Martinez, Francis Breton","doi":"10.1186/s41313-018-0011-y","DOIUrl":null,"url":null,"abstract":"<p>An exact analytical solution of the Fick’s second law was developed and applied to the mixed-mode growth of a multicomponent ellipsoidal precipitate growing with constant eccentricities in the quasi-stationary regime. The solution is exact if the nominal composition, equilibrium concentrations and material properties are assumed constant, and can be applied to compounds having no limitations in the number of components. The solution was compared to the solution calculated by a diffusion-controlled application software and it was found that the solute concentrations at the interface can be determined knowing only the nominal composition, the full equilibrium concentrations and the coefficients of diffusion. The thermodynamic calculations owing to find alternative tie-lines are proven to be useless in the mixed-mode model. From this, it appears that the search of alternative tie-lines is computationally counterproductive, even when the interface has a very high mobility. A more efficient computational scheme is possible by considering that a moving interface is not at equilibrium.</p>","PeriodicalId":693,"journal":{"name":"Materials Theory","volume":"2 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2018-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1186/s41313-018-0011-y","citationCount":"5","resultStr":"{\"title\":\"Mixed-mode growth of a multicomponent precipitate in the quasi-steady state regime\",\"authors\":\"Tohid Naseri, Daniel Larouche, Rémi Martinez, Francis Breton\",\"doi\":\"10.1186/s41313-018-0011-y\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>An exact analytical solution of the Fick’s second law was developed and applied to the mixed-mode growth of a multicomponent ellipsoidal precipitate growing with constant eccentricities in the quasi-stationary regime. The solution is exact if the nominal composition, equilibrium concentrations and material properties are assumed constant, and can be applied to compounds having no limitations in the number of components. The solution was compared to the solution calculated by a diffusion-controlled application software and it was found that the solute concentrations at the interface can be determined knowing only the nominal composition, the full equilibrium concentrations and the coefficients of diffusion. The thermodynamic calculations owing to find alternative tie-lines are proven to be useless in the mixed-mode model. From this, it appears that the search of alternative tie-lines is computationally counterproductive, even when the interface has a very high mobility. A more efficient computational scheme is possible by considering that a moving interface is not at equilibrium.</p>\",\"PeriodicalId\":693,\"journal\":{\"name\":\"Materials Theory\",\"volume\":\"2 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-05-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1186/s41313-018-0011-y\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materials Theory\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://link.springer.com/article/10.1186/s41313-018-0011-y\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Theory","FirstCategoryId":"1","ListUrlMain":"https://link.springer.com/article/10.1186/s41313-018-0011-y","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Mixed-mode growth of a multicomponent precipitate in the quasi-steady state regime
An exact analytical solution of the Fick’s second law was developed and applied to the mixed-mode growth of a multicomponent ellipsoidal precipitate growing with constant eccentricities in the quasi-stationary regime. The solution is exact if the nominal composition, equilibrium concentrations and material properties are assumed constant, and can be applied to compounds having no limitations in the number of components. The solution was compared to the solution calculated by a diffusion-controlled application software and it was found that the solute concentrations at the interface can be determined knowing only the nominal composition, the full equilibrium concentrations and the coefficients of diffusion. The thermodynamic calculations owing to find alternative tie-lines are proven to be useless in the mixed-mode model. From this, it appears that the search of alternative tie-lines is computationally counterproductive, even when the interface has a very high mobility. A more efficient computational scheme is possible by considering that a moving interface is not at equilibrium.
期刊介绍:
Journal of Materials Science: Materials Theory publishes all areas of theoretical materials science and related computational methods. The scope covers mechanical, physical and chemical problems in metals and alloys, ceramics, polymers, functional and biological materials at all scales and addresses the structure, synthesis and properties of materials. Proposing novel theoretical concepts, models, and/or mathematical and computational formalisms to advance state-of-the-art technology is critical for submission to the Journal of Materials Science: Materials Theory.
The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analysis as new ways to predict, design, and conceptualize materials behavior.