论文标题
通过分子动力学模拟对超弹性NITI纳米素体的机械表征
Mechanical Characterization of Superelastic NiTi Nanofoams by Molecular Dynamics Simulations
论文作者
论文摘要
纳米多孔金属或纳米载体是一种有前途的材料类别，被认为用于感测，驱动和催化。迄今为止，它们主要基于简单的贵金属，例如纳米黄金，它们表现出与散装材料不同的特殊应力应变响应。同时，诸如NITI之类的散装合金具有可逆的马氏体相变，从而产生了有趣的形状记忆和超弹性效应。将NITI的丰富力学与纳米体的几何特征相结合，有望改善该材料的力学性能。在这项原子研究中，我们探索了在不同温度下的NITI纳米接受者的行为及其对（环状）压缩的反应。使用分子动力学模拟，我们跟踪可逆变形以及NITI纳米剂的机械故障机理的显微镜过程。
Nanoporous metals or nanofoams are a promising material class that is considered for sensing, actuation, and catalysis. To date, they mostly based on simple noble metals such as nanoporous gold, which exhibit peculiar stress-strain response different from the bulk material. At the same time bulk alloys such as NiTi feature a reversible martensitic phase transition giving rise to interesting shape memory and superelastic effects. Combining the rich mechanics of NiTi with the geometrical features of a nanofoam is expected to improve the mechanical performance of this material. In this atomistic study we explore the behavior of a NiTi nanofoam at varying temperature and its reaction to (cyclic) compression. Using molecular dynamics simulations we track the microscopic processes enabling reversible deformation as well as the mechanical failure mechanisms of the NiTi nanofoam.
