Oxidation induced softening in Al nanowires

被引:36
作者
Sen, Fatih G. [1 ]
Qi, Yue [2 ]
van Duin, Adri C. T. [3 ]
Alpas, Ahmet T. [1 ]
机构
[1] Univ Windsor, Dept Mech Automot & Mat Engn, Engn Mat Program, Windsor, ON N9B 3P4, Canada
[2] Gen Motors Res & Dev Ctr, Chem Sci & Mat Syst Lab, Warren, MI 48090 USA
[3] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA
基金
加拿大自然科学与工程研究理事会;
关键词
REACTIVE FORCE-FIELD; ELASTIC PROPERTIES; THIN-FILMS; MECHANICAL-BEHAVIOR; MOLECULAR-DYNAMICS; SURFACE RESONANCES; TENSILE PROPERTIES; DEFORMATION; STRENGTH; ALUMINA;
D O I
10.1063/1.4790181
中图分类号
O59 [应用物理学];
学科分类号
摘要
The mechanical properties of metallic nanowires depend dramatically on the atmospheric conditions. Molecular-dynamics simulations with ReaxFF were conducted to study tensile elastic deformation of oxidized Al nanowires. The thin amorphous oxide shell formed around Al nanowires had a very low Young's modulus of 26 GPa, due to its low density and low Al-O coordination. Consequently, for diameters less than 100 nm, the composite Young's modulus of oxide-covered Al nanowires showed a size dependence implying that in this case "smaller is softer." The model developed also explained the discrepancies in the reported modulus values of nanometer-scale Al thin films. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4790181]
引用
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页数:5
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