Hydrodynamic phase field crystal approach to interfaces, dislocations, and multi-grain networks
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
Abstract
We derive a phase field crystal model that couples the diffusive evolution of a microscopic structure with the fast dynamics of a macroscopic velocity field, explicitly accounting for the relaxation of elastic excitations. This model captures better than previous formulations the dynamics of complex interfaces and dislocations in single crystals as well as grain boundary migration in poly-crystals where the long-range elastic field is properly relaxed. The proposed model features a diffusivity that depends non-linearly on the local phase. It induces more localized interfaces between a disordered phase (liquid-like) and an ordered phase, e.g., stripes or crystal lattices. For stripes, the interface dynamics are shown to be strongly anisotropic. We also show that the model is able to evolve the classical PFC at mechanical equilibrium. However, in contrast to previous approaches, it is not restricted to a single-crystal configuration or small distortions from a fixed reference lattice. To showcase the capabilities of this approach, we consider a few examples, from the annihilation of dislocation loops in a single crystal at mechanical equilibrium to the relaxation of a microstructure including crystalline domains with different orientations and grain boundaries. During the self-annihilation of a mixed type dislocation loop (i.e., not shear or prismatic), long-range elastic effects cause the loop to move out of plane before the annihilation event.
Details
Original language | English |
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Article number | 084002 |
Journal | Modelling and simulation in materials science and engineering |
Volume | 30 |
Issue number | 8 |
Publication status | Published - 1 Dec 2022 |
Peer-reviewed | Yes |
External IDs
unpaywall | 10.1088/1361-651x/ac9493 |
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Scopus | 85139997683 |