The aim of this project is therefore to develop a hierarchical multi-scale framework to investigate the reactions at solid-liquid interfaces and their effects on the dynamics of the reactive wetting process and the resulting phase morphology and microstructure at the solid-liquid interface. The multi-scale framework will be based on an accurate atomic description of the interactions between the constituting atoms and on a quantitative mesoscale model capable of upscaling efficiently and reliably the findings obtained from MD simulations. The overall multi-scale framework will be validated by experiments on various length scales. Based on the simulation results, improved unified reactive wetting models will be proposed. In this study, the methodology will be developed and validated considering the spreading of liquid Al (with and without Ni and dissolved O) on solid Ni (with and without oxidation of the Ni-substrate). This work will establish for the first time a link between the atomistic properties of Ni-Al(-O) reactive interphases and its mesoscale wetting morphology
Funding scheme: Internal KU Leuven funding – C1
People involved: Youqing, Vijay
Period: 2018-2023