Abstract
The ab-initio molecular dynamics simulations were conducted to etude the microscopic atomic and electronic structures of Co54Ta11B35 bulk metallic glasses in the surface composition. The structure properties such as partial pair correlation function, bond pairs and Voronoi tessellation analysis were analyzed. Then the atomic charge and the density of states are also characterized. The degree of local ordering for B is illustrated to decrease in the surface. A liquid-phase B-center cluster was found to increase during annealing. The Co-center distorted icosahedron cluster transformed to the perfect one which could be a signature of surface crystallization. But this crystallization did not change the electronic structure of Co54Ta11B35 alloy obviously.
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.
