掺杂溶质晶界偏析和溶质拖拽效应对纳米氧化铝生长行为影响的相场法模拟

石杰; 唐赛; 姚树伟; 伍超众; 马运柱; 刘文胜

doi:10.19976/j.cnki.43-1448/TF.2023020

粉末冶金材料科学与工程 >

2023 , Vol. 28 >Issue 4: 305 - 314

DOI: https://doi.org/10.19976/j.cnki.43-1448/TF.2023020

理论研究

掺杂溶质晶界偏析和溶质拖拽效应对纳米氧化铝生长行为影响的相场法模拟

石杰 ,
唐赛 ,
姚树伟 ,
伍超众 ,
马运柱 ,
刘文胜

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中南大学轻质高强国家级重点实验室,长沙 410083

收稿日期: 2023-03-27

修回日期: 2023-04-25

网络出版日期: 2023-09-21

基金资助

国家自然科学基金资助项目(U20A20240)

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Phase field simulation of the effect of doped solute grain boundary segregation and solute dragging on the growth behavior of nano-sized alumina

SHI Jie ,
TANG Sai ,
YAO Shuwei ,
WU Chaozhong ,
MA Yunzhu ,
LIU Wensheng

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National Key Laboratory of Science and Technology on High-strength Structural Materials, Central South University, Changsha 410083, China

Received date: 2023-03-27

Revised date: 2023-04-25

Online published: 2023-09-21

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摘要

采用相场模拟结合烧结实验,研究溶质元素晶界偏析影响下的纳米氧化铝晶粒生长行为及其动力学规律。通过在氧化铝多晶晶粒生长的相场模型中引入溶质拖拽效应,并将溶质拖拽强度与晶内溶质原子浓度和原子平衡偏聚比联系起来,研究不同溶质原子在晶界上的平衡偏聚比和初始晶内溶质原子浓度时氧化铝晶粒的长大行为,并定量分析不同溶质拖拽强度下氧化铝晶粒的异常长大现象。通过比较晶粒的平均尺寸和形貌演变,证明相场模拟结果与实验中氧化镧掺杂的纳米氧化铝晶粒长大行为相吻合。结果表明：在极强溶质拖拽效应下,氧化铝晶粒的生长受到明显抑制,晶粒生长缓慢,而低溶质拖拽效应对氧化铝晶粒生长的抑制效果不明显。从模拟的微观组织演变结果上看,晶界偏析也有可能引发少数氧化铝晶粒的异常长大,特定晶粒在生长过程中可能克服溶质拖拽效应从而快速长大,造成材料性能的损失。

关键词： 相场法; 溶质拖拽; 晶粒长大; 异常长大; 氧化铝

本文引用格式

石杰 , 唐赛 , 姚树伟 , 伍超众 , 马运柱 , 刘文胜 . 掺杂溶质晶界偏析和溶质拖拽效应对纳米氧化铝生长行为影响的相场法模拟[J]. 粉末冶金材料科学与工程, 2023 , 28(4) : 305 -314 . DOI: 10.19976/j.cnki.43-1448/TF.2023020

Abstract

Phase field simulations combined with sintering experiments were used to study the grain growth behavior and the kinetics of nano alumina under the influence of solute element grain boundary segregation. By introducing the solute dragging effect into the phase field model of alumina polycrystalline grain growth, and relating the solute dragging intensity to the intracrystalline solute atom concentration and atomic equilibrium bias ratio, under various solute atoms equilibrium bias ratios at grain boundaries and initial intracrystalline solute atom concentrations, the growth behavior of alumina grains were investigated, furthermore, the anomalous growth phenomenon of alumina grains with different solute dragging intensity was quantitatively analyzed. By comparing the average size and morphological evolution of the grains, the results of the phase field simulations are consistent with the experimental growth behavior of lanthanum oxide doped nano alumina grains. The results show that the growth of alumina grains is significantly inhibited by the very strong solute dragging effect, leading to a slow growth. While the low solute dragging effect has no significant inhibitory effect on grain growth. From the simulated microstructure evolution results, grain boundary segregation may also trigger the abnormal growth of a few alumina grains, and the specific grains may grow rapidly with overcoming the solute drag effect during the growing process, resulting in the loss of material properties.

Key words： phase field method; solute drag; grain growth; abnormal growth; alumina

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