ATOMIC SIMULATIONS OF VOIDS IN U-10wt%Mo FUEL

IF 0.1 Q4 PHYSICS, MULTIDISCIPLINARY Anales AFA Pub Date : 2023-03-28 DOI:10.31527/analesafa.2023.34.1.17
J.R. Fernández, R.C. Pasianot, M.I. Pascuet
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Abstract

During neutron irradiation of U-Mo alloys, a phenomenon of fcc ordering of cavities is produced, coherent with the bcc structure of its matrix. In the U-10wt %Mo alloy, the cavities have a diameter of about 30 Å and a superlattice parameter of approximately 120 Å. Many works in the literature implicitly link the overpressurization of the cavities with fission gases (Xe,Kr) as being responsible for the interaction that leads to this ordering. However, recent observations indicate that, in the early burnup stages of the fuel, the cavities that make up this superlattice are practically empty. In this work, we perform molecular dynamics simulations aimed at studying the morphology of an empty cavity (void) and characterizing its mutual interaction with distance and ordering. The cavities are found to be faceted and can only interact at very close distances, of a few atomic planes.
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U-10wt%Mo燃料中空洞的原子模拟
U-Mo合金在中子辐照过程中,产生了一种与基体bcc结构一致的fcc有序空腔现象。在U-10wt %Mo合金中,空腔直径约为30 Å,超晶格参数约为120 Å。文献中的许多工作隐含地将腔体的过压与裂变气体(Xe,Kr)联系起来,作为导致这种排序的相互作用的原因。然而,最近的观察表明,在燃料的早期燃烧阶段,构成这个超晶格的空腔实际上是空的。在这项工作中,我们进行了分子动力学模拟,旨在研究空腔(空洞)的形态,并表征其与距离和有序的相互作用。这些空腔被发现是多面的,只能在非常近的距离上相互作用,在几个原子平面上。
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来源期刊
Anales AFA
Anales AFA PHYSICS, MULTIDISCIPLINARY-
CiteScore
0.40
自引率
0.00%
发文量
43
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