气孔与晶界相互作用的相场模拟

  • 孙正阳 ,
  • 王昱天 ,
  • 柳文波
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  • 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 西安交通大学机械工程学院 西安 710049
孙正阳,男,1998年生,本科生

收稿日期: 2020-04-16

  修回日期: 2020-06-04

  网络出版日期: 2020-06-10

基金资助

国家自然科学基金委员会与中国工程物理研究院联合基金项目(U1830124);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);清华大学新型陶瓷与精细工艺国家重点实验室项目(KF201713)

Phase-Field Simulation of the Interaction Between Pore and Grain Boundary

  • Zhengyang SUN ,
  • Yutian WANG ,
  • Wenbo LIU
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  • 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 School of Mechanical Engineering, Xi'an Jiaotong University, Xi'an 710049, China

Received date: 2020-04-16

  Revised date: 2020-06-04

  Online published: 2020-06-10

Supported by

NSAF Joint Fund(U1830124);National Natural Science Foundation of China(11705137);China Postdoctoral Science Foundation(2019M663738);State Key Laboratory of New Ceramic and Fine Processing Tsinghua University(KF201713)

摘要

对现有的气孔与晶界相互作用的相场模型进行改进,提出了新形式的自由能密度函数,并采用了张量形式的扩散系数。分析了相场模型中唯象参数的选择依据,并讨论了模型中界面能和界面宽度等物理参数的影响因素。气孔和晶界相互作用的相场模拟结果表明:晶界的曲率是晶界移动的动力,而气孔是晶界移动的阻力;当气孔施加的最大阻力大于等于晶界移动的动力时,气孔会随晶界一起运动;而当气孔施加的最大阻力小于晶界移动的动力时,气孔与晶界分离。若气孔与晶界未发生分离,体系的演化将由晶界主导转变为气孔主导,演化速率显著下降。含气孔UO2多晶体系的晶粒生长的相场模拟结果表明:气孔率越大,晶粒生长速率越慢;UO2平均晶粒直径与时间成幂函数关系,幂指数随气孔率的增大而增大。

本文引用格式

孙正阳 , 王昱天 , 柳文波 . 气孔与晶界相互作用的相场模拟[J]. 金属学报, 2020 , 56(12) : 1643 -1653 . DOI: 10.11900/0412.1961.2020.00120

Abstract

The grain boundary (GB) and average grain size considerably affect the properties of materials, such as the fracture strength, dielectric constant, and thermal conductivity. For instance, when subjected to irradiation at 1750 ℃, the swelling of the UO2 pellets and the release of fission gas from them decrease significantly with the increasing average grain size. However, several second-phase particles, such as pores, are inevitably introduced into a material during the solid-phase sintering or neutron radiation processes. Therefore, studying the interaction between the pores and GBs is considerably important. In this study, a phase-field model of the interaction between the pores and GBs is developed. Subsequently, the free-energy density function was modified, where the diffusion coefficient was incorporated in the tensor form. In addition, the selection of the phenomenological parameters, such as the coefficient in the free-energy density function of the phase-field model, was analyzed, and the influencing factors of interface energy and interface width were discussed. The phase-field model simulation results of the interaction between the pores and GBs show that the curvature of GB was the major driving force associated with the movement of GB and that pores resisted the movement of GB. Accordingly, the pores moved together with the GBs when the maximum pinning force exerted by the pores was larger than the driving force produced by the curvature of GB; however, the pores and GBs separated in the opposite case, during which the GB moved much faster than pores. The results of the phase-field simulation of the grain growth of the pore-containing UO2 show that the grain growth speed decreases with the increasing porosity. The average grain size of UO2 is a power function of time, the exponent of which increases with the increasing porosity.

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