Ru团簇对Ni/Ni_(3)Al合金纳米线形变影响的原子模拟  

cluster on the deformation of Ni/Ni_(3)Al alloy nanowire

作　　者：阳喜元 YANG Xi-Yuan(School of Physics Science and Technology,Lingnan Normal University,Zhanjiang 524048,China)

机构地区：[1]岭南师范学院物理科学与技术学院,湛江524048

出　　处：《原子与分子物理学报》2025年第1期81-87,共7页Journal of Atomic and Molecular Physics

基　　金：广东省自然科学基金(2017A030307015,2021A1515011928,2022A1515011137);湛江市科技计划项目(2019A03009);岭南师范学院科研基金项目(YB2116)。

摘　　要：镍基高温合金是制造先进航空发动机热端部件的关键材料之一,其高温力学性能直接关系到发动机运行安全和使用寿命.本文采用改进分析型嵌入原子模型(MAEAM)和分子动力学(MD)研究合金化元素钌(Ru)团簇对Ni/Ni_(3)Al纳米线形变机制的影响,结果表明:在单轴拉伸应变下,纳米线的弹性模量和屈服强度随温度升高而降低.温度较低时,纳米线形变由位错产生与发射而导致晶格滑移所引起.由于晶格热振动非谐效应不明显,Ru团簇阻碍效果显著,使得晶格滑移区域仅限于Ru团簇与Ni/Ni_(3)Al相界面之间且呈非对称分布.温度较高时,纳米线的形变由位错发射而引起晶格滑移所致,但因非谐效应显著,Ru团簇无法阻碍位错运动,滑移区域在Ru团簇周围对称分布于Ni_(3)Al相中.最后从Ru团簇微观结构及其稳定性的角度进一步分析其对纳米线形变影响.Nickel-based superalloy,its high-temperature mechanical properties are directly related to the operational safety and service life of the engine,is one of the key materials for manufacturing advanced aeroengine hot-section components.In the paper,the influence of ruthenium(Ru)cluster on the deformation mechanism of Ni/Ni_(3) Al nanowire was studied by using the modified analytical embedded atomic model(MAEAM)and molecular dynamics(MD).The obtained results showed that the elastic modulus and yield strength of alloy nanowires decreased with increasing temperature as the uniaxial tensile strain was used.The deformation of nanowires at the lower temperature was caused by the generation and emission of dislocations,leading to lattice slippage.As the anharmonic effect of lattice thermal vibration was unobvious,the significant blocking effect of Ru cluster on the crystalline glide resulted in a slippage area,the distribution of which was only between the cluster and the Ni/Ni_(3) Al phase interface and was asymmetric.At the higher temperature,the deformation of nanowire resulted from the lattice slippage attributing to dislocation emission.Due to the remarkable anharmonic effect of vibration,Ru cluster could ineffectively impede lattice glide and the slip region was asymmetrically distributed with respect to Ru cluster in the Ni_(3) Al phase.Finally,the influence of Ru clusters on the deformation of nanowire was further analysed from the perspective of its microstructure and stability.

关 键 词：Ru团簇 形变机制 Ni/Ni_(3)Al纳米线 原子模拟 

分 类 号：O483[理学—固体物理]