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Atomistic mechanism of nucleation and growth of voids in Cu studied by computer simulation

机译:计算机仿真研究中的CU中空隙的核切割和生长的原子学机制

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A TEM observation of fission neutron-irradiated copper at 300°C shows that the maximum size of stacking fault tetrahedra (sft) observed is 6 nm of edge length which corresponds to a cluster of 280 vacancies and the minimum size of voids is 2.2 nm in diameter which corresponds to a cluster of 470 vacancies. The result suggests that a vacancy cluster whose size is smaller than 300 vacancies grows to sft while a cluster whose size is larger than 500 vacancies relaxes to a void in 300°C-irradiated copper. A computer simulation of molecular dynamics (MD) with an isotropic EAM potential examined this model. It is found that a vacancy cluster that is smaller than 300 vacancy segregates to a (111) platelet and relaxes to an sft. Small vacancy clusters which are generated at damage cascade cores aggregate to spherically distributed vacancies for the size of more than 500 vacancies, and relax to several (111) platelets, which finally form a vacancy (111) polyhedron. Inside a polyhedral vacancy platelet, vacancies are confined and grow to a void at high temperature.
机译:在300℃下的裂变中子辐射铜的TEM观察表明,观察到的堆叠故障Tetrahedra(SFT)的最大尺寸为6nm的边缘长度,其对应于280个空位的集群,并且空隙的最小尺寸为2.2nm直径对应于470个职位空缺的集群。结果表明,空置簇的尺寸小于300个空位的时间增长到SFT,而其尺寸大于500个空位的簇放宽在300°C辐照铜中的空隙中。具有各向同性EAM电位的分子动力学(MD)的计算机模拟检查了该模型。结果发现,空置簇小于300空位的空位偏离(111)血小板并放松到SFT。在损坏级联核心产生的小空位簇聚集在500多个空位的尺寸的球形分布空位,并放松到几个(111)个血小板,最终形成空位(111)多面体。在多面体空缺血小板内部,空缺被限制并在高温下延长到空隙。

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