(1. 河海大學(xué) 土木工程學(xué)院， 南京 210098；
2. 浙江大學(xué) 力學(xué)系， 杭州 310027)
摘 要: 基于鑲嵌原子勢(shì)采用分子動(dòng)力學(xué)方法研究了納米鎳單晶一維納米絲、 二維納米薄膜和三維納米固體的拉伸變形破壞過(guò)程和力學(xué)行為與性能，分析了3類(lèi)典型納米金屬材料的本征應(yīng)力、 初始能量狀態(tài)和變形機(jī)制以及破壞過(guò)程中的能量和應(yīng)力變化， 討論了自由表面對(duì)納米金屬材料力學(xué)行為和性能的影響。模擬得到鎳單晶納米絲、 薄膜和三維固體的彈性模量分別為145.45、 186.6和122.03 GPa； 斷裂強(qiáng)度分別為22.293、 21.08和19.98 GPa； 納米絲和固體的破壞中出現(xiàn)短暫屈服， 屈服強(qiáng)度分別為14.451和13.67 GPa， 納米薄膜的斷裂無(wú)屈服。
關(guān)鍵字: 納米鎳； 力學(xué)行為； 力學(xué)性能； 分子動(dòng)力學(xué)；表面效應(yīng)
three kinds of nano-scale materials made of
monocrystalline nickel
（1. College of Civil Engineering, Hohai University, Nanjing 210098, China;
2. Department of Mechanics, Zhejiang University, Hangzhou 310027, China）
Abstract: The failure process, mechanical behavior and properties of nano-scale nickel wire, film and block were studied by molecular dynamics method based on embedded atomic potential. The initial energy and stress, deformation process, variation of energy and atomic stress under tension in three kinds of nano materials were analyzed, respectively. The simulation results show the surface effects on mechanical behavior and properties of nano materials, and the constitutive relationship and elastic modulus (nano wire: 145.45 GPa; film: 186.6 GPa; block: 122.03 GPa), yielding strength (wire: 14.451 GPa; block: 13.67 GPa) and fracture strength (wire: 22.293 GPa; film: 21.08 GPa; block: 19.98 GPa) of each kind of nano materials are obtained.
Key words: nano nickel; mechanical behavior; mechanical properties; molecular dynamics; surface effects
