Kinetics of Spherical Interface in Crystal Growth

The growth kinetics of spherical NiAl and CuZr crystals are studied by using molecular dynamics simulations. The growth rates of crystals are found to increase with the grain radius. The simulations show that the interface thickness and the Jackson α-faetor increase as the growth proceeds, indicating that the interface becomes increasingly rough during growth. Due to the increasing interface roughening, the fraction of repeatable growth sites at interface f is proposed to actually increase in growth. An attachment rate, which is defined as the fraction of atoms that join the crystal interface without leaving, is used to approximate f, displaying a linear increase. With this approximation, we predict the growth rates as a function of the crystal radius, and the results qualitatively agree with those from the direct simulations.

Shape change of calcite single crystals to accommodate interfacial curvature:Crystallization in presence of Mg2+ions and agarose gel-networks

Synthetic calcite single crystals,due to their strong crystal habit,tend to grow into characteristic rhombohedra.In the nature,biogenic calcite crystals form composites together with biomacromolecular materials,spurring investigations of how the growing calcite single crystals change their habit to satisfy the curvature of the organic phase.In this work,we examine calcite crystallization on a flat surface of glass slide and a curved surface of polystyrene（PS） sphere.The crystals exhibit tiny contact area onto the glass substrate that is averagely only 15%of their projected area on the substrate.In sharp contrast,the contact area greatly increase to above 75%of the projected area,once magnesium ions or agarose gel networks are introduced into the crystallization media.Furthermore,the calcite crystals form rough and step-like interfaces with a curved surface.However,the interfaces become smooth and curved as the crystals grow in presence of magnesium ions or agarose gel networks.The discrepancy between the interfacial structures implies kinetic effects of the additives on the crystallization around the surfaces.This work may provide implications for understanding the formation mechanisms of single-crystal composite materials.

Formation and capturing of nanoparticles in Cu-1wt.%Fe alloy melt during directional solidification process

A single crystal Cu-1wt.%Fe alloy with finely dispersed iron-rich nanoparticles which keep coherent interface with the copper matrix was prepared under directional solidification.Formation of nanoparticles in the alloy melt was investigated by performing differential scanning calorimeter tests and designed water quenching experiment at a certain temperature.Results show that iron-rich nanoparticles are formed in the Cu-1wt.%Fe alloy melt before primaryα-Cu forms,which is not consistent with equilibrium phase diagram.Mechanism that iron-rich nanoparticles are uniformly captured in the matrix was described,which is that numerous nanoparticles follow Brownian motions and are engulfed in the solidified matrix which makes it possible to form uniformly distributed nanoparticles reinforced single crystal Cu-1wt.%Fe alloy.