Molecular Dynamics Simulations of Solidification in Al-Si Alloys

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Al-Si is the most popular Al cast alloy for the production of lightweight components for aerospace and automotive applications. It has been known for many years that small additions of certain impurities to Al-Si leads to significant improvements in strength and toughness, yet the precise role played by the impurities in enhancing mechanical properties is not completely understood. In this work we will utilize computer simulations to study, for the first time, the atomic level processes taking place at the solid-liquid interface during solidification in Al-Si alloys. An understanding of how select impurity additions lead to changes in the structure of the cast product will pave the way for the design of improved alloys.