caa a22 4500 445867884 CHVBK 20180317145503.0 cr unu---uuuuu 170323e20110201xx s 000 0 eng 10.1140/epjd/e2010-10427-1 doi (NATIONALLICENCE)springer-10.1140/epjd/e2010-10427-1 Influence of carbon nanotube on the structure evolution of Ni-Cu alloy nanorod [Elektronische Daten] [J.-Y. Guo, C.-X. Xu, C. Yang, J. Dai, Z.-H. Li] Abstract.: A Monte Carlo method has been performed to simulate the structure evolution of Ni-Cu alloy nanorods encapsulated in the carbon nanotube and removed from the carbon nanotube. The Sutton-Chen many-body potential and Lennard-Jones potential are used to describe the metal-metal and metal-carbon interactions, respectively. The studies show that all Ni-Cu atoms in carbon nanotube are arranged in a series of concentric cylindrical layers even they have different fractions, and Cu atoms are apt to stay at the surface layers. If the carbon nanotube was removed, Ni-Cu alloy nanorod would turn into a cluster with nickel core and copper shell. The physical origin for such structure formation and evolution toward core-shell motifs are discussed. The bond pair analysis shows that the nanorods and clusters are amorphous structures dominated by the rhombohedral structure and mixed up with some local short-range order. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Guo J.-Y State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut Xu C.-X State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut Yang C. State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut Dai J. State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut Li Z.-H State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut The European Physical Journal D Springer-Verlag 61/3(2011-02-01), 621-625 1434-6060 61:3<621 2011 61 10053 https://doi.org/10.1140/epjd/e2010-10427-1 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2010-10427-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Guo J.-Y State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut NATIONALLICENCE 700 1- Xu C.-X State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut NATIONALLICENCE 700 1- Yang C. State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut NATIONALLICENCE 700 1- Dai J. State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut NATIONALLICENCE 700 1- Li Z.-H State Key Laboratory of Bioelectronics, and Advanced Photonics Center, Southeast University, 210096, Nanjing, P.R. China aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 61/3(2011-02-01), 621-625 1434-6060 61:3<621 2011 61 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer