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We performed ab initio molecular dynamic simulations and evidenced a clear connection between chemical short-range order (CSRO) and dynamic properties in the liquid and undercooled Al93Cr7 alloy. In the liquid… Click to show full abstract
We performed ab initio molecular dynamic simulations and evidenced a clear connection between chemical short-range order (CSRO) and dynamic properties in the liquid and undercooled Al93Cr7 alloy. In the liquid phase, we find that the interplay between CSRO and icosahedral short-range order leads to a strong decoupling of component diffusion. Upon cooling, this interplay induces the development of an icosahedral-based medium range order referring to Cr atoms which can be correlated to the occurrence of dynamic heterogeneities (DHs) characterized by Al fast-dynamics regions and Cr-rich slow-dynamics regions. All these results yield a possible scenario of the structural origin of DHs in a metallic liquid which presents a decoupling of component diffusion.
Journal Title: Applied Physics Letters
Year Published: 2017
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