Local atomic structures of amorphous Pd80Si20 alloys and their configuration heredity in the rapid solidification |
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| Authors: | Y H Deng D D Wen Y Li J Liu |
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| Affiliation: | 1. School of Material Science &2. Engineering, Hunan University, Changsha, People’s Republic of China;3. School of Science, Hunan Institute of Engineering, Xiangtan, People’s Republic of China;4. School of Science, Hunan Institute of Engineering, Xiangtan, People’s Republic of China |
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| Abstract: | 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 Tonset and bigger descendible fraction F than other Kasper clusters in the rapid solidification of Pd80Si20 alloys. |
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| Keywords: | Pd80Si20 alloy rapid solidification molecular dynamics simulation cluster heredity |
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