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Microstructure evolution modeling using finite element crystal plasticity (FECP), Monte- Carlo (MC), and phase field (PF) methods are being used to simulate microstructure evolution in Ti-6Al-4V under thermomechanical loading conditions. FECP is used to simulate deformation induced evolution of the microstructure and compute heterogeneous stored energy providing additional source of energy to MC and PF models. The MC grain growth model, calibrated using literature and experimental data, is used to simulate α+𝛽 grain growth. A multi-phase field, augmented with crystallographic symmetry and orientation relationship between α-𝛽, is employed to model simultaneous evolution and growth of all twelve α-variants in 3D. The influence of transformation and coherency strain energy on α-variant selection is studied by coupling the model with the Khachaturyan-Shatalov formalism for elastic strain calculation. This FECP/MC/PF suite will be able to simulate evolution of grains in the microstructure and within individual 𝛽- grains during typical thermomechanical processing conditions.
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Phase-field modeling of stored-energy-driven grain growth with intra-granular variation in dislocation density
Abstract We present a phase-field (PF) model to simulate the microstructure evolution occurring in polycrystalline materials with a variation in the intra-granular dislocation density. The model accounts for two mechanisms that lead to the grain boundary migration: the driving force due to capillarity and that due to the stored energy arising from a spatially varying dislocation density. In addition to the order parameters that distinguish regions occupied by different grains, we introduce dislocation density fields that describe spatial variation of the dislocation density. We assume that the dislocation density decays as a function of the distance the grain boundary has migrated. To demonstrate and parameterize the model, we simulate microstructure evolution in two dimensions, for which the initial microstructure is based on real-time experimental data. Additionally, we applied the model to study the effect of a cyclic heat treatment (CHT) on the microstructure evolution. Specifically, we simulated stored-energy-driven grain growth during three thermal cycles, as well as grain growth without stored energy that serves as a baseline for comparison. We showed that the microstructure evolution proceeded much faster when the stored energy was considered. A non-self-similar evolution was observed in this case, while a nearly self-similar evolution was found when the microstructure evolution is driven solely by capillarity. These results suggest a possible mechanism for the initiation of abnormal grain growth during CHT. Finally, we demonstrate an integrated experimental-computational workflow that utilizes the experimental measurements to inform the PF model and its parameterization, which provides a foundation for the development of future simulation tools capable of quantitative prediction of microstructure evolution during non-isothermal heat treatment.
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- Award ID(s):
- 2104786
- PAR ID:
- 10500878
- Publisher / Repository:
- IOP Publishing
- Date Published:
- Journal Name:
- Modelling and Simulation in Materials Science and Engineering
- Volume:
- 32
- Issue:
- 4
- ISSN:
- 0965-0393
- Format(s):
- Medium: X Size: Article No. 045011
- Size(s):
- Article No. 045011
- Sponsoring Org:
- National Science Foundation
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