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Molecular Dynamics Simulation of Microstructure of Nanocrystalline Copper |
| WEN Yu-Hua; ZHOU Fu-Xin; LIU Yue-Wu |
| State Key LNM, Institute of Mechanics, Chinese Academy of
Sciences, Beijing 100080 |
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| Cite this article: |
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WEN Yu-Hua, ZHOU Fu-Xin, LIU Yue-Wu 2001 Chin. Phys. Lett. 18 411-413 |
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Abstract The microstructure of computer generated nanocrystalline coppers is simulated by using molecular dynamics with Finnis-Sinclair potential, analysed by means of radial distribution functions, coordination number, atomic energy and local crystalline order. The influence of the grain size on the nanocrystalline structure is studied. The results reveal that as the grain size is reduced, the grain boundary shows no significant structural difference, but the grain interior becomes more disordered, and their structural difference diminishes gradually; however, the density and the atomic average energy of the grain boundary present different tendencies from those of the grain interior.
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| Keywords:
61.46.+w
61.82.Rx
31.15.Qg
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Published: 01 March 2001
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