A description of vacancy complexes in an FCC solid solution within the framework of the CALPHAD Method
| Autor: | Masato Shimono, Kiyoshi Hashimoto, Cenk Kocer, Taichi Abe |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Work (thermodynamics) Materials science Field (physics) Condensed Matter::Other General Chemical Engineering Thermodynamics 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology 01 natural sciences Computer Science Applications Gibbs free energy Condensed Matter::Materials Science symbols.namesake Vacancy defect Phase (matter) 0103 physical sciences Physics::Atomic and Molecular Clusters symbols Diffusion (business) 0210 nano-technology CALPHAD Solid solution |
| Zdroj: | Calphad. 63:100-106 |
| ISSN: | 0364-5916 |
| DOI: | 10.1016/j.calphad.2018.08.010 |
| Popis: | Thermal vacancies and vacancy complexes in solids have not been treated explicitly in the CALPHAD-type thermodynamic assessments. Since thermal vacancies have important roles in phase transformations, precipitations and diffusion processes, it is necessary to describe them in the thermodynamic models for various simulations e.g. phase field simulations. In the present work, a description of the monovacancy for pure metals was expanded to vacancy complexes in an FCC solid solution in alloys where the interaction energies between vacancy-vacancy and vacancy-solute were taken into account using the Gibbs energy functions. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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