This article presents a novel coupling of numerical techniques that enable three-dimensional convection-driven microstructure simulations to be conducted on practical time scales appropriate for small-size components or experiments. On the microstructure side, the cellular automata method is efficient for relatively large-scale simulations, while the lattice Boltzmann method provides one of the fastest transient computational fluid dynamics solvers. Both of these methods have been parallelized and coupled in a single code, allowing resolution of large-scale convection-driven solidification problems. The numerical model is validated against benchmark cases, extended to capture solute plumes in directional solidification and finally used to model alloy solidification of an entire differentially heated cavity capturing both microstructural and meso-/macroscale phenomena.

Large thermal gradients in the melt pool from rapid heating followed by rapid cooling in metal additive manufacturing generate large thermoelectric currents. Applying an external magnetic field to the process introduces fluid flow through thermoelectric magnetohydrodynamics. Convective transport of heat and mass can then modify the melt pool dynamics and alter microstructural evolution. As a novel technique, this shows great promise in controlling the process to improve quality and mitigate defect formation. However, there is very little knowledge within the scientific community on the fundamental principles of this physical phenomenon to support practical implementation. To address this multi-physics problem that couples the key phenomena of melting/solidification, electromagnetism, hydrodynamics, heat and mass transport, the lattice Boltzmann method for fluid dynamics was combined with a purpose-built code addressing solidification modelling and electromagnetics. The theoretical study presented here investigates the hydrodynamic mechanisms introduced by the magnetic field. The resulting steady-state solutions of modified melt pool shapes and thermal fields are then used to predict the microstructure evolution using a cellular automata-based grain growth model. The results clearly demonstrate that the hydrodynamic mechanisms and, therefore, microstructure characteristics are strongly dependent on magnetic field orientation. This article is part of the theme issue ‘Patterns in soft and biological matters'.

The fundamental mechanisms governing macroscopic freckle defect formation during directional solidification are studied experimentally in a Hele–Shaw cell for a low-melting point Ga-25 wt.% In alloy and modelled numerically in three dimensions using a microscopic parallelized Cellular Automata Lattice Boltzmann Method. The size and distribution of freckles (long solute channels, or chimneys) are shown to be strongly dependent on the thermal profile of the casting, with flat, concave and convex isotherms being considered. For the flat isotherm case, no large-scale freckles form, while for concave or convex isotherms, large freckles appear but in different locations. The freckle formation mechanism is as expected buoyancy-driven, but the chimney stability, its long-term endurance and its location are shown to depend critically on the detailed convective transport through the inter-dendritic region. Flow is generated by curved isopleths of solute concentration. As solute density is different from that of the bulk fluid, gravity causes ‘uphill’ or ‘downhill’ lateral flow from the sample centre to the edges through the mush, feeding the freckle. An excellent agreement is obtained between the numerical model and real-time X-ray observations of a solidifying sample under strictly controlled temperature conditions. This article is part of the theme issue ‘Heterogeneous materials: metastable and non-ergodic internal structures’.

Summary: In this article, moment‐based boundary conditions for the lattice Boltzmann method are extended to three dimensions. Boundary conditions for velocity and pressure are explicitly derived for straight on‐grid boundaries for the D3Q19 lattice. The method is compared against the bounce‐back scheme using both single and two relaxation time collision schemes. The method is verified using classical benchmark test cases. The results show very good agreement with the data found in the literature. It is confirmed from the results that the derived moment‐based boundary scheme is of second‐order accuracy in grid spacing and does not produce numerical slip, and therefore offers a transparent way of accurately prescribing velocity and pressure boundaries that are aligned with grid points in three‐dimensional.

The theory of stable dendritic growth within a forced convective flow field is tested against the enthalpy method for a single-component nickel melt. The growth rate of dendritic tips and their tip diameter are plotted as functions of the melt undercooling using the theoretical model (stability criterion and undercooling balance condition) and computer simulations. The theory and computations are in good agreement for a broad range of fluid velocities. In addition, the dendrite tip diameter decreases, and its tip velocity increases with increasing fluid velocity.

Electromagnetic methods can be used to affect the solidification of metallic alloys. Combined alternating and static (DC) magnetic fields can induce pressure waves in liquid metals in a contactless manner, refining grain structure, preventing component segregation, and dispersing added particles. Here, the possibility of using a pulsed magnetic field in combination with a DC magnetic field to improve the solidification structure of metals is investigated. This enables achieving higher pressure amplitude and liquid movement within the whole crucible volume at the same power consumption. This can be a prospective way to achieve a fine-grained and a more homogeneous microstructure of metallic alloys as well as disperse added particles. In this work, analytical description of the phenomena and numerical modeling of the pressure amplitude and melt motion has been performed. A series of experiments have been carried out to demonstrate the effect of such interaction on the solidified metal microstructure. It is found that a combination of pulsed and DC magnetic fields creates strong compression and expansion of the liquid metal. Metals solidified under such interaction exhibit finer grain structure in Sn-Pb alloy and improved TiB₂ particle distribution in 6061 aluminum alloy.