<strong>UO<sub>2</sub></strong>烧结过程的相场模拟

doi:10.11900/0412.1961.2019.00440

金属学报

2020, Vol. 56

Issue (9): 1295-1303 DOI: 10.11900/0412.1961.2019.00440

本期目录 | 过刊浏览

UO₂烧结过程的相场模拟

孙正阳¹^,², 杨超³, 柳文波¹^,²(

)

1 西安交通大学核科学与技术学院西安 710049
2 西安交通大学陕西省先进核能工程研究中心陕西省先进核能技术重点实验室西安 710049
3 北京理工大学前沿交叉科学研究院北京 100081

Phase Field Simulations of the Sintering Process of UO₂

SUN Zhengyang¹^,², YANG Chao³, LIU Wenbo¹^,²(

)

1 School of Nuclear Science and Technology, Xi‘an Jiaotong University, Xi'an 710049，China
2 Shaanxi Key Laboratory of Advanced Nuclear Energy and Technology, Shaanxi Engineering Research Center of Advanced Nuclear Energy, Xi’an Jiaotong University, Xi’an 710049, China
3 Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China

引用本文:

孙正阳, 杨超, 柳文波. UO₂烧结过程的相场模拟[J]. 金属学报, 2020, 56(9): 1295-1303.
Zhengyang SUN, Chao YANG, Wenbo LIU. Phase Field Simulations of the Sintering Process of UO₂[J]. Acta Metall Sin, 2020, 56(9): 1295-1303.

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摘要:

利用相场模型对UO₂陶瓷粉末的烧结过程进行了模拟。在修正的相场模型中，不仅考虑了表面扩散、晶界扩散和晶格扩散3种各向异性的扩散机制对烧结组织形貌和烧结动力学的影响，而且考虑了不同陶瓷颗粒之间的界面能对烧结形貌的影响。基于实验条件和热力学物性参数，对UO₂陶瓷粉末在2000 K的烧结过程进行了模拟。模拟结果显示：初始形貌为圆形的陶瓷粉末有利于烧结过程的进行；烧结过程中存在大晶粒吞噬小晶粒的现象；晶界扩散机制是UO₂烧结过程中的主导机制；晶界能的改变导致晶界与相界之间的平衡二面角发生改变。在此基础上，模拟了多晶UO₂陶瓷粉末的烧结过程，模拟结果与实验结果吻合较好。

关键词 ：相场模型, UO₂, 烧结, 扩散机制

Abstract：

UO₂ is widely used as fuel in various nuclear reactors, and the sintering of UO₂ceramic powder under high temperature is one of the most important processes during the preparation of UO₂ fuel. However, sintering is a very complicated process which is controlled by many simultaneous mechanisms. The phase field method was used to simulate the sintering process of UO₂ ceramic powder in the present work. In the modified phase field model, the influence of three anisotropic diffusion mechanisms, including surface diffusion, grain boundary diffusion and lattice diffusion, on the microstructure evolution during sintering was considered, and the effect of the interface energy between different ceramic particles on the sintering morphology was also considered. Based on the experimental conditions and thermodynamic parameters, the sintering process of UO₂ ceramic powder at 2000 K was simulated. The simulation results showed that the initial morphology of the ceramic powder affects the sintering kinetics; large grains grow more easily, and small grains disappear at the last stage of sintering; the GB diffusion mechanism is the dominant mechanism during the sintering; the equilibrium dihedral angle between GB and phase boundaries can be strongly affected by the GB energy. In addition, the sintering process of the polycrystalline UO₂ ceramic powder was also simulated, and the simulation results were in good agreement with the experimental results.

Key words： phase field model UO₂ sintering diffusion mechanism

收稿日期: 2019-12-19

ZTFLH:

TG148

基金资助:国家自然科学基金青年项目(11705137);中国博士后科学基金项目(2019M663738);中国博士后科学基金项目(2018T111053);清华大学新型陶瓷与精细工艺国家重点实验室项目(KF201713);中国核工业集团有限公司领创科研项目

作者简介: 孙正阳，男，1998年生，本科生

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https://www.ams.org.cn/CN/10.11900/0412.1961.2019.00440 或 https://www.ams.org.cn/CN/Y2020/V56/I9/1295

图1 相场模型示意图Color online

表1 UO2的物理参数[31,32,34]

表2 模拟中的无量纲参数表

图2 2个等尺寸圆形晶粒演化的相场模拟(a) 2×104 step；(b) 10×104 step；(c) 180×104 step；(d) 250×104 step

图3 2个等尺寸的六边形晶粒演化的相场模拟(a) 2×104 step；(b) 10×104 step；(c) 180×104 step；(d) 250×104 step

图4 不同形状晶粒的烧结颈的对数增长曲线

图5 烧结颈增长的拟合曲线

图6 2个不等大圆形晶粒演化的相场模拟(a) 2×104 step；(b) 10×104 step；(c) 180×104 step；(d) 250×104 step

图7 较大晶粒面积与烧结颈的演化曲线

图8 不同扩散机制下双晶粒演化的相场模拟(a1, b1) 10×104 step；(a2, b2) 20×104 step；(a3, b3) 50×104 step

图9 不同晶界能下的平衡二面角(a) γgb/γs=1.4,?Φ=90°；(b) γgb/γs=1,?Φ=120°；(c) γgb/γs=0.5,?Φ=150°

图10 多晶演化的相场模拟(a) 0；(b) 2×104 step；(c) 10×104 step；(d) 50×104 step；(e) 100×104 step

图11 图10中A晶粒面积增长曲线

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