Multi-scale modeling of reactions at solid-liquid interfaces and their effect on dynamic wetting and phase morphology

Wetting and interfacial reactions are important material processes and are critical steps in widely applied technological processes, such as joining and coating. The properties of the resulting joint or coating depend largely on the microstructure of the reaction product at the interface, which is itself in a complex way affected by the material properties and conditions during the wetting process. Better insights in the nano- and microscale processes during reactive wetting, and how they interact, are required to unravel these complex correlations. The aim of the current project is to develop a multi-scale modeling approach considering all the energy dissipation processes on the various length-scales, based on nanoscale molecular dynamics simulations and the mesoscale phase-field method, and apply it to a few relevant applications. The multi-scale framework will be validated by experiments on the nano-, and microscale. Such a computational model has great potential in guiding the design and optimization of material joints and coatings and can reduce the development time of new materials in a wide range of technologies.

Keywords:dynamic wetting, interfacial reactions, reactive wetting, Al-Ni-O, multi-scale

Disciplines:Ceramic and glass materials, Materials science and engineering, Semiconductor materials, Other materials engineering