Jiménez-Sáez J C, Pérez-Martin A M C, Jiménez-Rodríguez J J
Dpto. de Física y Química Aplicadas a la Técnica Aeronáutica, E. U. I. T Aeroncutica, Universidad Politécnica de Madrid (UPM), E-28040 Madrid, Spain.
J Nanosci Nanotechnol. 2012 Jun;12(6):4710-6. doi: 10.1166/jnn.2012.4896.
The mechanical deformation properties of (110) Co/Cu multilayered nanowires were studied by Molecular Dynamics under uniaxial tensile and compressive stresses. The potential of the immiscible CoCu system was modeled by a second-moment tight-binding approximation. Stress-strain curves at different conditions were obtained and the elastic modulus and yield stress were analyzed. Both magnitudes are approximately independent of the strain rate, except at high values. They decrease linearly with increasing temperature. Below a volume-to-surface-area ratio, their values drastically increase and diverge from the bulk values. If the thickness of the Cu sublayers increases, the Young's modulus and yield stress decrease, although in a different way. The elastic modulus decreases linearly and the yield stress falls steeply whenever Cu is present in the nanowire, since the lattice distortion takes place firstly and fundamentally in Cu sublayers. The change in the axial stress at the interface is little significant on average and rather localized. Unlike, the transverse stress has a non-uniform distribution along the Cu sublayer, especially at the yield point. The Young's modulus and yield stress are larger in tension than in compression. Under tensile stress, nanowires slip via partial dislocation nucleation and propagation. Unlike, compressive deformation of nanowires takes place via both partial and full dislocations.
通过分子动力学研究了(110)Co/Cu多层纳米线在单轴拉伸和压缩应力下的机械变形特性。采用二阶矩紧束缚近似对不混溶CoCu体系的势进行建模。获得了不同条件下的应力-应变曲线,并分析了弹性模量和屈服应力。除了在高值时,这两个量大致与应变率无关。它们随温度升高呈线性下降。在体积与表面积比低于某一值时,它们的值急剧增加并偏离体相值。如果Cu子层的厚度增加,杨氏模量和屈服应力会降低,不过方式不同。只要纳米线中存在Cu,弹性模量就会线性下降,屈服应力会急剧下降,因为晶格畸变首先且主要发生在Cu子层中。界面处轴向应力的变化平均而言不太显著且相当局部化。与轴向应力不同,横向应力沿Cu子层具有不均匀分布,尤其是在屈服点处。杨氏模量和屈服应力在拉伸时比在压缩时更大。在拉伸应力下,纳米线通过部分位错形核和扩展而滑动。与拉伸不同,纳米线的压缩变形通过部分位错和全位错两者发生。