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Atomistic Models of Point Defects in Plutonium Metal

机译:钚金属点缺陷的原子模型

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摘要

The aging properties of plutonium (Pu) metal and alloys are driven by a combination of materials composition, processing history, and self-irradiation effects. Understanding these driving forces requires a knowledge of both thermodynamic and defect properties of the material. The multiplicity of phases and the small changes in temperature, pressure, and/or stress that can induce phase changes lie at the heart of these properties. In terms of radiation damage, Pu metal represents a unique situation because of the large volume changes that accompany the phase changes. The most workable form of the metal is the fcc (δ-) phase, which in practice is stabilized by the addition of alloying elements such as Ga or Al. The thermodynamically stable phase at ambient conditions is the monoclinic (α-) phase, which, however, is 20% lower in volume than the δ phase. In stabilized Pu metal, there is an interplay between the natural swelling tendencies of fcc metals and the volume-contraction tendency of the underlying thermodynamically stable phase. This study explores the point defect properties that are necessary to model the long-term outcome of this interplay.
机译:钚(PU)金属和合金的老化性能由材料组成,加工历史和自我照射效应的组合驱动。了解这些驱动力需要了解材料的热力学和缺陷性能。可以诱导相变的多相和温度,压力和/或应力的少量变化位于这些性质的核心。在辐射损伤方面,PU金属代表了独特的情况,因为相位变化的体积变化大。最可行的金属形式是FCC(Δ-)相,其在实践中通过添加诸如Ga或Al等合金元素来稳定。在环境条件下的热力学稳定的相是单斜(α-)相,然而,体积的体积比δ相降低20%。在稳定的PU金属中,FCC金属的天然肿胀倾向与潜在的热力学稳定相的体积收缩趋势之间存在相互作用。本研究探讨了模拟此相互作用的长期结果所必需的点缺陷属性。

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