A fully implicit, fully adaptive multigrid method for the simulation of free dendritic growth into an undercooled melt has been developed and applied to various phase-field models. The main aim of this work is to demonstrate that advanced numerical methods, such as mesh adaptivity, implicit time stepping, multigrid methods and variable time step control, are not only advantageous compared to wi...

Mixing of miscible liquids is essential for numerous processes in industry and nature. Mixing, i.e. interpenetration of molecules through the liquid/liquid boundary, occurs via interfacial diffusion. Mixing can also involve externally or internally driven hydrodynamic flows, and can lead to deformation or disintegration of the liquid/liquid boundary. At the moment, the mixing dynamics remains p...

This work presents a continuum mechanics approach to model fracturing processes in brittle materials that are subjected to rapidly applied high-temperature gradients. Such a type of loading typically occurs when a solid is exposed to an intense high-energy particle beam that deposits a large amount of energy into a small sample volume. Given the rapid energy deposition leading to a fast tempera...

Prapaporn Boonme, Chalida Boonthongchuay, Thanaporn Amnuaikit and Wibul Wongpoowarak Department of Pharmaceutical Technology and Nanotec-PSU Center of Excellence on Drug Delivery System, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand. Department of Pharmaceutical Technology, Faculty of Pharmaceutical Sciences, Prince of Songkla University, Ha...

We demonstrate an automatic method of force field development for molecular simulations. Parameter tuning is taken as an optimization problem in many dimensions. The parameters are automatically adapted to reproduce known experimental data such as the density and the heat of vaporization. Our method is more systematic than guessing parameters and, at the same time saves human labour in paramete...

Phase-field modelling of rapid alloy solidification, in which the rejection of latent heat from the growing solid cannot be ignored, has lagged significantly behind the modelling of conventional casting practises which can be approximated as isothermal. This is in large part due to the fact that if realistic materials properties are adopted the ratio of the thermal to solute diffusivity (the Le...

From a mechanical perspective, the intervertebral disc (IVD) is considered as a flexible damping element, which connects two vertebrae and comprises the annulus fibrosus (AF) and the nucleus pulposus (NP). The NP includes proteoglycan proteins, which bind water due to electronegative branches, and is surrounded by the collagen-fibre-reinforced AF. Under compressive stresses, interstitial fluid ...

We consider shape and topology optimization for fluids which are governed by the Navier–Stokes equations. Shapes are modelled with the help of a phase field approach and the solid body is relaxed to be a porous medium. The phase field method uses a Ginzburg–Landau functional in order to approximate a perimeter penalization. We focus on surface functionals and carefully introduce a new modelling...