Pu-Ga合金中氦泡聚集行为的分子动力学模拟

Molecular Dynamics Simulation of Helium Hubble Collective Behaviour in Pu-Ga Alloy

  • 摘要: 在钚(Pu)材料中加入少量其他金属元素,如铝(Al)、镓(Ga)、铟(In)、铈(Ce)等,能实现Pu合金材料在室温条件下稳定。本文采用分子动力学(MD)方法及修正的嵌入原子势(MEAM),在300 K下对Pu-Ga合金中的氦泡聚集行为进行了模拟,合金中Ga的含量(原子分数)分别为0%、2%和5%。通过计算和分析,得到不同Ga含量下,随氦原子数目增长Pu-Ga合金中氦泡半径和压强的变化趋势,以及由氦泡引起的体积膨胀,研究结果对于理解钚自辐照过程中的氦效应的内在机制具有一定的参考价值。

     

    Abstract: It can make Pu material stabilize at room temperature to dope a small quantity of metal alloy chemical element, such as Al, Ga, In, and Ce etc., in the Pu material. The collective behavior of helium bubble in the Pu-Ga alloy was simulated under 300 K using molecular dynamics (MD) method and embedded atom multibody potential (MEAM). The Ga content (atom fraction) of Pu-Ga alloy is 0%, 2% and 5% respectively. The trend of helium bubble radius and pressure was achieved with the increase of helium atom number in the Pu-Ga alloy at different Ga contents, and the bulk swell of Pu-Ga crystal due to helium bubbles was revealed. The calculation and analysis can provide reference to understand the internal mechanism of helium bubble in self-irradiation damage in plutonium.

     

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