Output details
13 - Electrical and Electronic Engineering, Metallurgy and Materials
Imperial College London : B - Metallurgy and Materials
Heterogeneous nucleation of solid Al from the melt by TiB(2) and Al(3)Ti: An ab initio molecular dynamics study
This is the first paper to use density functional theory molecular dynamics to study the nucleation of solid aluminium by titanium diboride (the most important refiner). It demonstrated clearly the importance of Ti termination of TiB2, and challenged the established description of nucleation derived from TEM and X-ray data. As well as forming the foundation of a subsequent PhD project, it helped two of the authors become partners in the European project EXOMET (led by ESA, and including 26 industrial and academic partners) to produce novel nano-composites for aerospace and automotive applications.