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基于分子动力学模拟研究FeCrAl合金高温-辐照蠕变行为

Thermal and Irradiation Creep Behavior of FeCrAl Alloy Based on Molecular Dynamics Simulation

  • 摘要:
      目的  FeCrAl合金以其优良的高温力学性能、抗辐照损伤能力与较高的制备技术成熟度成为耐事故核燃料包壳的候选材料。由于中子辐照代价高、周期长、测试难,该合金的高温-辐照蠕变的相关研究较少。文章研究该合金的高温蠕变和辐照蠕变行为,讨论辐照剂量率、温度及应力等参数对蠕变速率及蠕变本构参数的影响。
      方法  通过建立不同晶粒尺寸FeCrAl合金晶体计算模型,采用分子动力学模拟软件LAMMPS,开展了较宽温度、应力和辐照剂量率范围内该合金的蠕变行为模拟。
      结果  相比于高温蠕变速率,辐照蠕变速率明显较低。随着蠕变应力升高,高温蠕变速率随应力增长速度逐渐加快,蠕变应力因子由0.9增至2.0左右,其中应力转折点为0.8 GPa。辐照蠕变速率随应力和辐照剂量率的增加呈线性增长趋势,即辐照蠕变应力因子与剂量率因子都接近1.0。随着温度的上升,辐照蠕变速率随剂量率的线性增长速度逐渐增大,辐照蠕变常数随之增加。
      结论  高温-辐照条件下FeCrAl合金的蠕变性能主要取决于热蠕变行为,且温度与应力升高加快了该合金的辐照蠕变过程。

     

    Abstract:
      Objective  FeCrAl alloys have shown promise as candidate materials for accident tolerance fuel cladding because of their excellent high-temperature strength, irradiation resistance, and mature fabrication technology. There are fewer studies related to the thermal and irradiation creep of FeCrAl alloys due to the high cost, long cycle time and difficult testing of neutron irradiation. The thermal and irradiation creep behavior of FeCrAl alloys were examined. And, the effects of irradiation dose rate, temperature and stress on the creep rate and parameters of the creep constitutive equations were analyzed.
      Method  The creep simulations were performed on several FeCrAl samples with different grain sizes over a wide range of temperature, stress, and irradiation dose rates, using LAMMPS molecular dynamics simulator.
      Result  The results show that the irradiation creep rate is significantly lower, compared to the thermal creep rate. As stress rises, the thermal creep rate increases exponentially, and the stress exponent increases roughly from 0.9 to 2.0 at the turning point of 0.8 GPa. The irradiation creep rate increases linearly with stress and dose rate, that is, the exponents of both dose rate and stress for irradiation creep are very close to 1.0. Besides, higher temperatures accelerates the linear increase of irradiation creep rate with dose rate, and the irradiation creep pre-factor becomes larger.
      Conclusion  The creep of FeCrAl alloys under conditions of high temperature and irradiation is mainly attributed to the thermal creep behavior. Higher temperatures and stresses accelerate the irradiation creep process.

     

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