晶体镍中氦泡生长的分子动力学模拟

利用分子动力学方法模拟了面心立方金属镍中氦泡的膨胀和融合过程。通过原子分布示意图、径向分布函数等方面的分析研究发现,在温度较低时,随时间的演化,原相隔五层镍原子的两氦泡逐渐聚拢,同时周围出现大量空位、间隙原子、位错等缺陷结构;两氦泡最终连为一体,氦泡周围的镍原子构成一菱形位错区域。温度较高时,两氦泡融合速度加快,融合区域增大,这对于研究材料中的杂质、缺陷、孔洞、裂纹的扩展、贯通机理具有重要意思。

Molecular Dynamic Simulation of Helium Bubble Growth in Crystal Nickel

The processing of double helium bubble inflation and fusion in face cubic metal is studied using molecular dynamics method.The studying that atomic distribution diagram and radial distribution function founds that,when temperature is lower,double helium bubble which is separated five layers of nickel atoms gradually gathered;meanwhile there are a lot of vacancies,interstitial atoms and dislocations in surrounding material.Double helium bubble eventually linked as one whole and nickel atoms around helium bubble formed diamond dislocation regions.Fusion speed of double helium bubble quickens gradually and fusion areas enlarger as temperature increasing.It is important for extension and coalescence mechanism of impurities,defects,holes and cracks.