Phase-field lattice Boltzmann model for dendrites growing and moving in melt flow

Rátkai, László; Pusztai, Tamás; Gránásy, László

doi:10.1038/s41524-019-0250-8

Cited by 31 publications

(26 citation statements)

References 51 publications

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“…With an appropriate overlapping grid technique, flow coupled motion of growing solid particles can also be treated. 90 …”

Section: Modeling Sectionmentioning

confidence: 99%

“…The OF-PF models may also be coupled to hydrodynamic flow, which can be represented by either the Navier-Stokes equation [81,82] or the lattice Boltzmann technique. With an appropriate overlapping grid technique, flow coupled motion of growing solid particles can also be treated [83]. The main virtue of PF modeling is that the growth morphology can be computed on the basis of the freezing conditions and the thermophysical properties.…”

Section: Phase-field Modeling Of Polycrystalline Structuresmentioning

confidence: 99%

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Phase-Field Modeling of Biomineralization in Mollusks and Corals: Microstructure vs Formation Mechanism

Gránásy

Rátkai

Tóth

et al. 2021

JACS Au

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While biological crystallization processes have been studied on the microscale extensively, there is a general lack of models addressing the mesoscale aspects of such phenomena. In this work, we investigate whether the phase-field theory developed in materials’ science for describing complex polycrystalline structures on the mesoscale can be meaningfully adapted to model crystallization in biological systems. We demonstrate the abilities of the phase-field technique by modeling a range of microstructures observed in mollusk shells and coral skeletons, including granular, prismatic, sheet/columnar nacre, and sprinkled spherulitic structures. We also compare two possible micromechanisms of calcification: the classical route, via ion-by-ion addition from a fluid state, and a nonclassical route, crystallization of an amorphous precursor deposited at the solidification front. We show that with an appropriate choice of the model parameters, microstructures similar to those found in biomineralized systems can be obtained along both routes, though the time-scale of the nonclassical route appears to be more realistic. The resemblance of the simulated and natural biominerals suggests that, underneath the immense biological complexity observed in living organisms, the underlying design principles for biological structures may be understood with simple math and simulated by phase-field theory.

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“…With an appropriate overlapping grid technique, flow coupled motion of growing solid particles can also be treated. 90 …”

Section: Modeling Sectionmentioning

confidence: 99%

Section: Phase-field Modeling Of Polycrystalline Structuresmentioning

confidence: 99%

Phase-Field Modeling of Biomineralization in Mollusks and Corals: Microstructure vs Formation Mechanism

Gránásy

Rátkai

Tóth

et al. 2021

JACS Au

Self Cite

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“…Qi et al [47] developed a phase field model to predict the growth and motion of multiple dendrites in the solidifying melt with the merits of handling topological changes conveniently when the two neighboring dendrites with a small misorientation merged in the simulation of polycrystalline growth, and succeeded in simulating the growth and motion of multiple dendrites with melt convection in Al-4wt pct Cu alloy solidification. Recently, Ra´tkai et al [48] proposed an overlapping multigrid scheme to treat the multiple dendrites motion, and successfully simulated the growth, motion and collision of multiple dendrites in the Al-Ti binary system with PF-LBM under the effect of gravity. Although some progresses in the simulation of dendritic growth with motion have been made, the work is still far from satisfaction and further work is needed to handle the translation and rotation of dendrite with a high computation efficiency and preserve the dendrite morphology in the presence of convection.…”

Section: Introductionmentioning

confidence: 99%

PF-LBM Modelling of Dendritic Growth and Motion in an Undercooled Melt of Fe-C Binary Alloy

Luo

Wang

et al. 2020

Metall Mater Trans B

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In the present study, a two-dimensional phase field model coupled with Lattice Boltzmann method (PF-LBM) is proposed to predict the dendritic growth and motion in the melt of Fe-C binary alloy, where the phase field method (PF) is used to calculate the dendritic growth, including the phase field and the concentration field, and the lattice Boltzmann method (LBM) is used to calculate the flow field. The dendrite motion is determined by Newton's Second Law and tracked by Lagrangian point in a Cartesian coordinate system. Later, the model validations were performed with the benchmark of a solid particle settlement in a stagnant fluid and particle motion in a shear flow, and the results show that the present model is capable of predicting the solid particle motion in the fluid flow. Finally, the model is adopted to investigate the dendritic growth and motion in a forced fluid flow (laminar flow or rotational flow), and the dendrite settlement in a terrestrial environment. The results show that when the forced fluid flow is a laminar flow, the free dendrite would be driven to translate, and the relative velocity between the dendrite and flow fluid decreases, resulting in weak influence of fluid flow on the dendritic growth. When the forced fluid flow is a rotational fluid flow, the dendrite would centrifugally rotate on the domain center with a counterclockwise self-spinning, and the rotation radius becomes larger and larger. For the case of dendrite settlement in a terrestrial environment, the relative movement between the dendrite and melt promotes the downward branch growth, but inhibits the upward branch growth, and two vortices form at the wake region of dendrite. Therefore, the settling dendrite shows a significant asymmetrical morphology.

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“…It also provides an elegant means for tracking complex surface evolution by modeling interfaces as diffuse. PF models have been employed in a wide range of settings including microstructure evolution [41][42][43], fracture mechanics [44,45], dendritic growth [46], and solid-fluid interactions [47][48][49]. PF provides a robust means for thermodynamic modeling of combined multiphysics processes, while retaining the ability to capture complex morphological behavior.…”

Section: Introductionmentioning

confidence: 99%

A diffuse interface method for solid-phase modeling of regression behavior in solid composite propellants

Kanagarajan¹,

Quinlan²,

Runnels³

2022

Preprint

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Solid composite propellants (SCPs) are ubiquitous in the field of propulsion. In order to design and control solid SCP rocket motors, it is critical to understand and accurately predict SCP regression. Regression of the burn surface is a complex process resulting from thermo-chemical-mechanical interactions, often exhibitingextreme morphological changes and topological transitions. Diffuse interface methods, such as phase field (PF), are well-suited for modeling processes of this type, and offer some distinct numerical advantages over their sharp-interface counterparts. In this work, we present a phase-field framework for modelingthe regression of SCPs with varying species and geometry. We construct the model from a thermodynamic perspective, leaving the base formulation general. A diffuse-species-interface field is employed as a mechanism for capturing complex burn chemistry in a reduced-order fashion, making it possible to model regressionfrom the solid phase only. The computational implementation, which uses block-structured adaptive mesh refinement and temporal substepping for increased performance, is briefly discussed. The model is then applied to four test cases: (i) pure AP monopropellant, (ii) AP/PBAN sandwich, (iii) AP/HTPB sandwich,and (iv) spherical AP particles packed in HTPB matrix. In all cases, reasonable quantitative agreement is observed, even when the model is applied predictively (i.e., no parameter adjustment), as in the case of (iv). The validation of the proposed PF model demonstrates its efficacy as a numerical design tool for future SCP investigation.

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Phase-field lattice Boltzmann model for dendrites growing and moving in melt flow

Cited by 31 publications

References 51 publications

Phase-Field Modeling of Biomineralization in Mollusks and Corals: Microstructure vs Formation Mechanism

Phase-Field Modeling of Biomineralization in Mollusks and Corals: Microstructure vs Formation Mechanism

PF-LBM Modelling of Dendritic Growth and Motion in an Undercooled Melt of Fe-C Binary Alloy

A diffuse interface method for solid-phase modeling of regression behavior in solid composite propellants

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