Reproduction of ultra-fine oscillatory zoning by direct numerical simulations of step dynamics considering impurity-induced crystal growth inhibition
摘要
Oscillatory compositional zoning (OCZ), widely observed in minerals, suggests the presence of self-organizing mechanisms inherent in the mineral formation process. In recent years, a mechanism for OCZ formation has been proposed, focusing on impurity-induced inhibition of crystal surface growth. We performed a numerical simulation that couples step dynamics and random impurity adsorption–desorption on the crystal surface with diffusive solute transport around the crystal. The results demonstrate that, even under static external conditions, the crystal growth rate exhibits spontaneous periodic variation, leading to oscillatory impurity incorporation. The resulting compositional zoning shows a periodicity on the order of several tens of nanometers, consistent with nanoscale periodic structures observed in natural minerals such as dolomite, garnet, and zircon. This study presents a novel theoretical framework that attributes the origin of the nanoscale ultra-fine OCZ to the nonlinear response of crystal growth, providing significant insights into self-organization phenomena in mineralogy and crystal growth science.