Local structure of supercooled liquid Ga90In10 alloy |
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| Institution: | 1. School of Materials Science and Engineering, Liaocheng University, Liaocheng, Shandong 252000, China;2. Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan, Shandong 250061, China;3. School of Mechanical, Electrical & Information Engineering, Shandong University (Weihai), Weihai 264209, China;4. School of Mechanical & Vehicle Engineering, Linyi University, Linyi, Shandong 276000, China;1. Division of Computational Physics, Institute for Computational Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam;2. Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam;1. Department of Mathematics and Statistics, Bangladesh University of Textiles, Dhaka, 1208, Bangladesh;2. Graduate School of Natural Science and Technology, Okayama University, Okayama, 700-8530, Japan;3. National Institute of Technology, Yonago College, Tottori 683-8502, Japan;1. Shool of Information and Communication Engineering, North University of China 030051, China;2. Shool of Electronics and Information Engineering, Anhui University 230039, China;3. School of Computing, Engineering and Digital Technologies, Teesside University TS1 3BA, UK;4. Application Science Institute, Taiyuan University of Science and Technology 030024, China;1. Peter the Great St. Petersburg Polytechnic University, 29 Polytechnicheskaya Str., Saint Petersburg 195251, Russia;2. Herzen State Pedagogical University of Russia, 48 Moika Emb., Saint Petersburg 191186, Russia |
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| Abstract: | The local structure of liquid and supercooled liquid Ga90In10 alloy was studied by the X-ray absorption fine-structure (XAFS), X-ray diffractometer (XRD) and the ab initio molecular dynamics (AIMD) simulation. The ab initio FEFF8 code was applied to simulate the In k-edge X-ray absorption near edge structure (XANES) spectrum of the melt. The local atomic arrangement models have been obtained. The results indicate that the structural evolution from the liquid to supercooled liquid Ga90In10 alloy is mainly caused by the change of the In atom local structure. As the temperature decreases, the nearest neighbor coordination number decreases and the nearest neighbor interatomic distance increases. The nearest neighbor coordination number around In atom decreases from 13 to 12, and there is obvious Ga aggregation under the undercooled condition. |
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