Local atomic structures of amorphous Pd80Si20 alloys and their configuration heredity in the rapid solidification
YH Deng and DD Wen and Y Li and J Liu and P Peng, PHILOSOPHICAL MAGAZINE, 98, 2861-2877 (2018).
The local atomic structures of amorphous Pd80Si20 alloys and their configuration heredity in the rapid solidification are investigated by a molecular dynamics simulation with the help of cluster-type index method based on Honeycutt-Anderson bond-type index and an inversely tracking technique of atomic trajectories. Their short-range orders are found to be various Kasper clusters as well as their distorted configurations, and among which (10 2/1441 8/1551) bi-capped square Archimedean anti- prism (BSAP) clusters are dominated, e.g. Si-centred Pd10Si1 clusters. These Kasper clusters mainly exist in the form of isolated basic clusters. Few medium-range orders can be detected, especially for Si- centred Kasper clusters. Similarly to icosahedrons of Cu-Zr amorphous alloys, their sustainable configuration heredity also occurs firstly in the super-cooled liquid region, and BSAP clusters have higher onset temperature T-onset and bigger descendible fraction F than other Kasper clusters in the rapid solidification of Pd80Si20 alloys.
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