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.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
