%0 Journal Article %T Gold Nanobelt Reorientation by Molecular Dynamics Simulation %A ZHANG Chun-Fang %A WEI He-Lin %A WANG Jian %A LIU Zu-Li %A
张春芳 %A 魏合林 %A 王键 %A 刘祖黎 %J 中国物理快报 %D 2007 %I %X The embedded atom method is used to study the structure stabilityof gold nanobelt. The Au nanobelts have a rectangular cross-section with<100> orientation along the x-, y- and z-axes. Free surfaces are used along the x- and y-directions, and periodic boundary condition is used along z-direction. The simulation is performed at different temperatures and cross-section sizes. Our results show that the structure stability of the Au nanobelts depends on the nanobelt size, initial orientation, boundary conditions and temperature. A critical temperature exists for Au nanobelts to transform from initial <100> nanobelt to final <110> nanobelt. The mechanism of the reorientation is the slip and spread of dislocation through the nanobelt under compressive stress caused by tensile surface-stress components. %K 31 %K 15 %K Qg %K 61 %K 46 %K -w %K 61 %K 72 %K Lk
分子动力学 %K 黄金 %K 原子核 %K 中子 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=03664AC44D4808189E94F9EC2C71DC98&yid=A732AF04DDA03BB3&vid=B91E8C6D6FE990DB&iid=5D311CA918CA9A03&sid=D80D149F88BBF67B&eid=93AF0A1614ED1F74&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=0