Ti-6Al-4V合金β→α相变中晶界α相形成机制的相场模拟

doi:10.11900/0412.1961.2019.00392

金属学报

2020, Vol. 56

Issue (8): 1113-1122 DOI: 10.11900/0412.1961.2019.00392

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Ti-6Al-4V合金β→α相变中晶界α相形成机制的相场模拟

孙佳¹^,², 李学雄¹, 张金虎¹, 王刚³, 杨梅⁴, 王皞¹^,⁵, 徐东生¹^,⁵(

)

1 中国科学院金属研究所沈阳 110016
2 中国科学院大学北京 100049
3 华南理工大学材料科学与工程学院广州 510006
4 江苏理工学院材料工程学院常州 213001
5 中国科学技术大学材料科学与工程学院沈阳 110016

Phase Field Modeling of Formation Mechanism of Grain Boundary Allotriomorph in β→α Phase Transformation in Ti-6Al-4V Alloy

SUN Jia¹^,², LI Xuexiong¹, ZHANG Jinhu¹, WANG Gang³, YANG Mei⁴, WANG Hao¹^,⁵, XU Dongsheng¹^,⁵(

)

1 Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
2 University of Chinese Academy of Sciences, Beijing 100049, China
3 School of Materials Science and Engineering, South China University of Technology, Guangzhou 510006, China
4 School of Materials Engineering, Jiangsu University of Technology, Changzhou 213001, China
5 School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China

引用本文:

孙佳, 李学雄, 张金虎, 王刚, 杨梅, 王皞, 徐东生. Ti-6Al-4V合金β→α相变中晶界α相形成机制的相场模拟[J]. 金属学报, 2020, 56(8): 1113-1122.
Jia SUN, Xuexiong LI, Jinhu ZHANG, Gang WANG, Mei YANG, Hao WANG, Dongsheng XU. Phase Field Modeling of Formation Mechanism of Grain Boundary Allotriomorph in β→α Phase Transformation in Ti-6Al-4V Alloy[J]. Acta Metall Sin, 2020, 56(8): 1113-1122.

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摘要:

使用相场模型研究了Ti-6Al-4V合金在β→α相变过程中晶界α相(α_GB)的形核及晶界润湿生长过程。通过耦合Thermo-Calc热力学数据与相场模型模拟出的组织与实际形貌一致。结果表明，特殊构造的噪声项使β/β晶界处失稳，并促进α相在晶界上的形核。相变初期析出的α相颗粒较多的情况下生成的α_GB形貌为连续的平滑状；反之，较少的α初始核会导致不连续α_GB的生成，模拟结果揭示了实验中不同形貌α_GB的形成机制。晶界润湿由不完全润湿到完全润湿可以是一个连续过程而不需其它反应即可实现。随噪声时间从50 s延长到80 s，α_GB晶界润湿速率越来越快，且α相的体积分数逐渐增大；随噪声强度由0.05增大到0.11，反应速率也逐渐加快，而α相体积分数可能先增大后减小。噪声时间与强度对α_GB形貌影响的规律与实验观察到的不同条件下的α_GB形貌一致，可为晶界α相及合金的疲劳性能的控制提供信息。

关键词 ： Ti-6Al-4V, 相场, 噪声项, α_GB, 晶界润湿相变

Abstract：

The microstructure evolution with grain boundary wetting phase transformation of α allotriomorph during the β→α phase transformation in Ti-6Al-4V alloy has been investigated by means of phase field modeling. A realistic microstructure was generated by coupling the Thermo-Calc thermodynamic parameters and phase field evolution equations. It is shown that the specially constructed thermal noise terms disturb the β/β interfaces and can produce heterogeneous nucleation of α phase at energetically favorable points such as triple junctions and β grain boundaries (GBs). A small amount of α_GB (grain boundary α) nuclei formed at the early stage of phase transition would lead to the formation of discontinuous α_GB; while a large number of α_GB nuclei can result in the formation of continuous α_GB. GBs can be "wetted" by a second solid phase through the reversible transition from incomplete to complete solid state wetting at a certain temperature without a new reaction. The volume fraction of α phase and the grain number increased gradually as the noise amplitude increased from 0.05 to 0.11, or noise duration from 50 s to 80 s. Both noise amplitude and time could control the formation kinetics of α_GB, which will influence the microstructure, and the fatigue properties of Ti alloys can be altered if these are controlled experimentally.

Key words： Ti-6Al-4V phase field model thermal noise term α_GB grain boundary wetting

收稿日期: 2019-11-18

ZTFLH:

TG146.22

基金资助:国家重点研发计划项目(2016YFB0701304);中国科学院战略性先导科技专项项目(XDC01040100);中国科学院信息化专项项目(XXH13506-304);国家自然科学基金项目(51671195)

作者简介: 孙佳，女，1988年生，博士

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https://www.ams.org.cn/CN/10.11900/0412.1961.2019.00392 或 https://www.ams.org.cn/CN/Y2020/V56/I8/1113

Parameter	Value	Unit
r	[-0.5,0.5]
ξ_noise	0.05, 0.07, 0.09, 0.11
t_noise	50，60，70，80	s
R	8.314	J·mol^-1·K^-1
T	1213	K
σ ω	0.0362 0.00036	J·m^-2
W	0.5×10^-6	m
a₁	$2 / 3$
κ	0.001814
M_ij L	1.0×10^-18 80
Δt	0.1	s
Δx	5×10^-8	m

表1 相场动力学的模拟参数

图1 耦合噪声条件下的模拟组织演化

图2 无噪声条件下的模拟组织，及有无噪声条件下α相的体积分数随时间的演化

图3 模拟组织(图1d)局部放大图及沿AB线的Al和V的浓度分布

图4 连续αGB的形成过程：噪声强度ξnoise=0.05、噪声时间tnoise=50 s条件下的模拟组织局部放大图

图5 不连续αGB的形成过程：ξnoise=0.05、tnoise=50 s条件下的模拟组织局部放大图

图6 晶界润湿由不完全到完全润湿的过程示意图

图7 tnoise=50 s时，ξnoise=0.11条件下的模拟组织形貌及不同噪声强度对α相体积分数随时间演化的影响

图8 ξnoise=0.05时，tnoise=80 s条件下的模拟获得的组织及不同噪声时间条件下α相体积分数随时间的演化规律

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