Molecular dynamics study on the formation of self-organized core/shell structures in the Pb alloy at the nanoscale

Abstract

Herein, we report a self-organized core/shell (CS) structure consisting of an Al core and a Pb shell in the liquid Pb alloys at a constant temperature. This is contrary to a believed opinion that the thermal gradient acts as the only driving force for the formation of this kind of structure. The results show that its forming ability greatly depends on the composition and temperature. Importantly, when the alloys are placed in the confined space, a structure of Al–Pb–Al sandwich construction and a completely different CS structure composed of a Pb core and an Al shell are obtained; this suggests a new strategy for controlling the phase-separated structures at the nanoscale. More interestingly, an abnormal phenomenon in the low Pb alloys with the amorphous thin Pb shell and the crystal Al core is observed after solidification, which does not occur in the high Pb alloys that just possess a secondary wrapped structure that never appears in the liquid state. The result of this study may help to shed light on understanding the formation of this core/shell structure and controlling it at an atomic view that have a potential application in the fabrication of these structural materials through nanotechnology.