Larry K. Aagesen, Albert Casagranda, Christopher Matthews, Benjamin W. Beeler, Stephen Novascone
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引用次数: 3
Abstract
The growth and interconnection of fission gas bubbles in the hotter central regions of U-(Pu)-Zr nuclear fuel has been simulated with a phase-field model. The Cahn-Hilliard equation was used to represent the two-phase microstructure, with a single defect species. The volume fraction of the bubble phase and surface area of the bubble-matrix interface were determined during growth and interconnection. Surface area increased rapidly during the initial stages of growth, then slowed and finally decreased as bubble interconnection began and coarsening acted to reduce surface area. The fraction of the bubbles vented to a simulation domain boundary, fV, was quantified as a measure of the microstructure’s interconnectivity and plotted as a function of porosity p. The defect species diffusivity was varied; although changes in diffusivity significantly affected the microstructure, the plots of fV vs. p did not change significantly. The percolation threshold pc was calculated to be approximately 0.26, depending on the assumed diffusivity and using an initial bubble number density based on experimental observations. This is slightly smaller than the percolation threshold for continuum percolation of overlapping 3D spheres. The simulation results were used to parameterize two different engineering-scale swelling models for U-(Pu)-Zr in the nuclear fuel performance code BISON.
用相场模型模拟了U-(Pu)- zr核燃料中心较热区域裂变气泡的生长和相互连接。采用Cahn-Hilliard方程表示含单一缺陷的两相微观结构。测定了气泡相的体积分数和气泡-基体界面的表面积。在生长的初始阶段,表面面积迅速增加,然后随着气泡互连的开始和粗化作用的减小,表面面积减慢并最终减少。模拟区域边界上气泡的比例fV被量化为微观结构连通性的度量,并被绘制为孔隙率p的函数。缺陷种类扩散率是变化的;虽然扩散系数的变化对微观结构有显著影响,但fV vs. p曲线变化不显著。根据假设的扩散率和基于实验观察的初始气泡数密度,计算出渗透阈值pc约为0.26。这比重叠三维球体连续渗流的阈值略小。利用仿真结果参数化了核燃料性能代码BISON中U-(Pu)- zr的两种不同工程尺度膨胀模型。
期刊介绍:
Journal of Materials Science: Materials Theory publishes all areas of theoretical materials science and related computational methods. The scope covers mechanical, physical and chemical problems in metals and alloys, ceramics, polymers, functional and biological materials at all scales and addresses the structure, synthesis and properties of materials. Proposing novel theoretical concepts, models, and/or mathematical and computational formalisms to advance state-of-the-art technology is critical for submission to the Journal of Materials Science: Materials Theory.
The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analysis as new ways to predict, design, and conceptualize materials behavior.