Multiphase-field modeling of spinodal decomposition during intercalation in an Allen-Cahn framework
| Autor: | Daniel Schneider, Jay Santoki, Simon Daubner, P.G. Kubendran Amos, Ephraim Schoof, Britta Nestler |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Work (thermodynamics)
Technology Materials science Physics and Astronomy (miscellaneous) Field (physics) Spinodal decomposition Intercalation (chemistry) Order (ring theory) Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Transformation (function) Cover (topology) Phase (matter) 0103 physical sciences General Materials Science 010306 general physics 0210 nano-technology ddc:600 |
| Zdroj: | Physical review materials, 5 (3), Article no: 035406 |
| ISSN: | 2475-9953 |
| Popis: | Owing to its unique thermodynamical description, phase separation has largely been modeled in the Cahn-Hilliard framework. In the present work, as a computationally efficient alternative, a multicomponent, multiphase-field model operating in Allen-Cahn framework is presented and subsequently employed to simulate spinodal decomposition. Stability analysis shows that the formulation can cover the effect of phase separation while simplifying the extension to multiple phases and incorporation of additional driving forces. Computational efficiency of the proposed approach is compared with the conventional technique by modeling intercalation in a representative one-dimensional domain. Moreover, intercalation within a multigrain system involving multiparticle interaction is studied. Our results suggest initiation of phase transformation at higher order junctions as well as a grain-by-grain intercalation behavior in a two-phase cathode material such as the well-studied ${\text{LiFePO}}_{4}$. |
| Databáze: | OpenAIRE |
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