Pathway into the silicon nucleation on silicene substrate at nanoscale |
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| Affiliation: | 1. Research Institute of Materials, Ocean university of China, Tsingdao 266100, People''s Republic of China;2. Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, Shandong University, Jinan 250061, People''s Republic of China;1. Department of Mechanical and System Engineering, Graduate School of Engineering, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671–2280, Japan;2. Department of Mechanical Engineering, National University Corporation-Kitami Institute of Technology, 165 Koen-cho, Kitami, Hokkaido 090–8507, Japan;3. Kitami Institute of Technology, 165 Koen-cho, Kitami, Hokkaido 090–8507, Japan;1. Queensland Centre for Advanced Materials Processing and Manufacturing (AMPAM), School of Mechanical and Mining Engineering, The University of Queensland, Brisbane, Queensland 4072, Australia;2. School of Science and Engineering, University of the Sunshine Coast, Sippy Downs, Queensland 4575, Australia;1. School of Materials, The University of Manchester, Manchester M13 9PL, United Kingdom;2. School of Mechanical, Aerospace & Civil Engineering, The University of Manchester, Manchester M13 9PL, United Kingdom;1. College of Engineering and Emerging Technologies, University of the Punjab, Lahore, Pakistan;2. Institute for Materials Research, SPEME, University of Leeds, LS2 9JT, UK;3. Morgan Advanced Materials, Swansea SA6 8PP, UK;1. Department of Mechanical Engineering, Faculty of Engineering, Bu-Ali Sina University, Hamedan 65178, Iran;2. School of Metallurgical and Materials Engineering, College of Engineering, University of Tehran, Tehran, Iran |
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| Abstract: | The solidification process of silicon atoms on the heterogeneous surface of silicene in different shapes, ranging from plane, curved to tubular substrates, is studied by means of molecular dynamics (MD) simulations. The shape of nucleus determines the stacking sequence of silicon atoms. Silicene plate induces strong ordered liquid layers while the silicene nanotube (SNT) makes the silicon imprint its cylindrical structure. In the confined nanospace between SNTs, the growth competition has been observed, which causes structural changes at the shared interface. The internal potential field around SNT is responsible for the formation of spiral structures and the growth competition. The ordering degree decays with increasing distances from the SNT, which is the result of the decreasing acting force from nucleus. This study provides an opportunity for comprehensive and satisfactory understanding of the heterogeneous nucleation at nanoscale. |
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