Published online by Cambridge University Press: 15 February 2011
Molecular dynamics simulations of the structure of crystalline and glassytitanium and zirconium wadeites have been undertaken to study themicroscopic origin of the striking difference between these two systems interms of nucleation and surface crystallization. The results of simulationare in accord with Raman and EXAFS spectroscopy as well as neutronscattering and DTA scans on the same structures.