<strong>Au-Pt</strong>合金凝固<strong>-</strong>固态相变微观组织演化相场法模拟

doi:10.11900/0412.1961.2024.00255

金属学报

2025, Vol. 61

Issue (1): 109-116 DOI: 10.11900/0412.1961.2024.00255

研究论文

本期目录 | 过刊浏览

Au-Pt合金凝固-固态相变微观组织演化相场法模拟

余东¹, 马威龙², 王亚莉¹, 王锦程¹(

)

1 西北工业大学凝固技术国家重点实验室西安 710072
2 西安理工大学材料科学与工程学院西安 710048

Phase Field Modeling of Microstructure Evolution During Solidification and Subsequent Solid-State Phase Transformation of Au-Pt Alloys

YU Dong¹, MA Weilong², WANG Yali¹, WANG Jincheng¹(

)

1 State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an 710072, China
2 College of Materials Science and Engineering, Xi'an University of Technology, Xi'an 710048, China

引用本文:

余东, 马威龙, 王亚莉, 王锦程. Au-Pt合金凝固-固态相变微观组织演化相场法模拟[J]. 金属学报, 2025, 61(1): 109-116.
Dong YU, Weilong MA, Yali WANG, Jincheng WANG. Phase Field Modeling of Microstructure Evolution During Solidification and Subsequent Solid-State Phase Transformation of Au-Pt Alloys[J]. Acta Metall Sin, 2025, 61(1): 109-116.

全文: PDF(2265 KB) HTML

摘要:

凝固/固态相变过程中的微观组织演化对材料的组织控制及性能优化具有重要意义，如何实现凝固-固态相变微观组织演化的全流程一体化数值模拟是当前材料微观组织模拟领域的前沿课题。本工作以Au-Pt合金为例，基于多相场模型和微观组织信息传递算法，研究了不同初始成分条件下凝固和固态相变过程微观组织的演化规律。实现了凝固-固态相变微观组织演化全流程一体化预测，揭示了凝固过程中微观偏析和晶界对后续脱溶析出和调幅分解过程的影响机制。

关键词 ：凝固, 固态相变, 微观组织演化, 相场法, 一体化数值模拟

Abstract：

The evolution of the microstructure during solidification and solid-state phase transformation is crucial for controlling the material microstructure and optimizing performance. Achieving an integrated numerical simulation of the microstructural evolution from solidification to solid-state phase transformation is a cutting-edge challenge in material-microstructure simulation. This study focuses on Au-Pt alloys, utilizing a multiphase field model combined with a microstructural information transfer algorithm to simulate and predict microstructural evolution during the solidification and solid-state phase transformation under different initial composition conditions. The study successfully realizes an integrated simulation prediction of the microstructural evolution across both processes, revealing the influence of microsegregation and grain boundaries during solidification on subsequent processes of decomposition and spinodal decomposition.

Key words： solidification solid-state phase transformation microstructure evolution phase field method integrated modeling

收稿日期: 2024-08-14

ZTFLH:

TG111.4

基金资助:国家重点研发计划项目(2021YFC2202301)

通讯作者: 王锦程，jchwang@nwpu.edu.cn，主要从事微观组织数值模拟、合金设计及增材制造等方面的研究

Corresponding author: WANG Jincheng, professor, Tel: (029)88460650, E-mail: jchwang@nwpu.edu.cn

作者简介: 余东，男，1999年生，硕士生

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https://www.ams.org.cn/CN/10.11900/0412.1961.2024.00255 或 https://www.ams.org.cn/CN/Y2025/V61/I1/109

图1 不同尺度间插值的示意图

图2 溶质场插值过程示意图

图3 Au-Pt二元合金相图

表1 Au-Pt合金的热物性参数及模拟参数

图4 不同初始成分条件下Au-Pt合金多晶组织的成分场演化及凝固末期的晶粒取向分布情况

图5 xPt = 0.3时图4c1中红框所示区域凝固组织的后续脱溶析出及调幅分解组织演化情况

图6 xPt = 0.6时图4c2中红框所示区域凝固组织的后续固态相变组织演化情况

1	Kurz W, Fisher D J, Trivedi R. Progress in modelling solidification microstructures in metals and alloys: dendrites and cells from 1700 to 2000[J]. Int. Mater. Rev., 2019, 64: 311
2	Kurz W, Rappaz M, Trivedi R. Progress in modelling solidification microstructures in metals and alloys. Part II: Dendrites from 2001 to 2018[J]. Int. Mater. Rev., 2021, 66: 30
3	Zhai W, Chang J, Geng D L, et al. Progress and prospect of solidification research for metallic materials[J]. Chin. J. Nonferrous Met., 2019, 29: 1953
3	翟薇, 常健, 耿德路等. 金属材料凝固过程研究现状与未来展望[J]. 中国有色金属学报, 2019, 29: 1953
4	Liu F, Zhang X, Zhang Y B. Unified analysis of non-equilibrium solidification and solid-state phase transformations[J]. Acta Metall. Sin., 2018, 54: 701 doi: 10.11900/0412.1961.2018.00112
4	刘峰, 张旭, 张玉兵. 非平衡凝固与固态相变的一体化研究[J]. 金属学报, 2018, 54: 701
5	Ghosh S, Zollinger J, Zaloznik M, et al. Modeling of hierarchical solidification microstructures in metal additive manufacturing: challenges and opportunities[J]. Addit. Manuf., 2023, 78: 103845
6	Wang T M, Wei J J, Wang X D, et al. Progress and application of microstructure simulation of alloy solidification[J]. Acta Metall. Sin., 2018, 54: 193 doi: 10.11900/0412.1961.2017.00428
6	王同敏, 魏晶晶, 王旭东等. 合金凝固组织微观模拟研究进展与应用[J]. 金属学报, 2018, 54: 193 doi: 10.11900/0412.1961.2017.00428
7	Wang J C, Guo C W, Li J J, et al. Recent progresses in competitive grain growth during directional solidification[J]. Acta Metall. Sin., 2018, 54: 657 doi: 10.11900/0412.1961.2017.00543
7	王锦程, 郭春文, 李俊杰等. 定向凝固晶粒竞争生长的研究进展[J]. 金属学报, 2018, 54: 657 doi: 10.11900/0412.1961.2017.00543
8	Liu B C, Xu Q Y, Jing T, et al. Advances in multi-scale modeling of solidification and casting processes[J]. JOM, 2011, 63(4): 19
9	Warnken N, Larsson H, Reed R C. Coupled modelling of solidification and solution heat treatment of advanced single crystal nickel base superalloy[J]. Mater. Sci. Technol., 2009, 25: 179
10	Meng X N, Gao X H, Huang S, et al. Cross-scale modeling of MnS precipitation for steel solidification[J]. Metals, 2018, 8: 529
11	Shi R P, Khairallah S, Heo T W, et al. Integrated simulation framework for additively manufactured Ti-6Al-4V: Melt pool dynamics, microstructure, solid-state phase transformation, and microelastic response[J]. JOM, 2019, 71: 3640
12	Liu P W, Wang Z, Xiao Y H, et al. Integration of phase-field model and crystal plasticity for the prediction of process-structure-property relation of additively manufactured metallic materials[J]. Int. J. Plast., 2020, 128: 102670
13	Zhang Q, Wang J C, Zhang Y C, et al. Simulation of multi-grain solidification and subsequent spinodal decomposition by using phase field crystal model[J]. Acta Phys. Sin., 2011, 60: 088104
13	张琪, 王锦程, 张亚丛等. 多晶凝固及后续调幅分解过程的晶体相场法模拟[J]. 物理学报, 2011, 60: 088104
14	Kodama T, Nakai R, Goto K, et al. Preparation of an Au-Pt alloy free from artifacts in magnetic resonance imaging[J]. Magn. Reson. Imaging, 2017, 44: 38 doi: S0730-725X(17)30124-8 pmid: 28700894
15	Silvestri Z, Davis R S, Genevès G, et al. Volume magnetic susceptibility of gold-platinum alloys: Possible materials to make mass standards for the watt balance experiment[J]. Metrologia, 2003, 40: 172
16	Liu M W, Weissmüller J. Phase decomposition in nanoporous Au-Pt[J]. Acta Mater., 2022, 241: 118419
17	Celik F A, Özel S. A simulation study on the orientational phase transformation behavior of Au-Pt alloy for different concentration of Pt[J]. Solid State Commun., 2020, 316-317: 113940
18	Vidano S, Novara C, Pagone M, et al. The LISA DFACS: Model Predictive Control design for the test mass release phase[J]. Acta Astron., 2022, 193: 731
19	Kim S G. A phase-field model with antitrapping current for multicomponent alloys with arbitrary thermodynamic properties[J]. Acta Mater., 2007, 55: 4391
20	Steinbach I, Pezzolla F. A generalized field method for multiphase transformations using interface fields[J]. Physica, 1999, 134D: 385
21	Xu X N, Qin G W, Ren Y P, et al. Experimental study of the miscibility gap and calculation of the spinodal curves of the Au-Pt system[J]. Scr. Mater., 2009, 61: 859
22	Grolier V, Schmid-Fetzer R. Experimental study of Au-Pt-Sn phase equilibria and thermodynamic assessment of the Au-Pt and Au-Pt-Sn systems[J]. J. Electron. Mater., 2008, 37: 264
23	Liu Y J, Wang J, Du Y, et al. Phase boundary migration, Kirkendall marker shift and atomic mobilities in fcc Au-Pt alloys[J]. Calphad, 2012, 36: 94
24	Rappaz M, Gandin C A. Probabilistic modelling of microstructure formation in solidification processes[J]. Acta Metall. Mater., 1993, 41: 345
25	Ye W C, Kou H H, Liu Q Z, et al. Electrochemical deposition of Au-Pt alloy particles with cauliflower-like microstructures for electrocatalytic methanol oxidation[J]. Int. J. Hydrogen Energy, 2012, 37: 4088
26	Ramanarayan H, Abinandanan T A. Spinodal decomposition in polycrystalline alloys[J]. Physica, 2003, 318A: 213
27	Li L L, Li Z M, da Silva A K, et al. Segregation-driven grain boundary spinodal decomposition as a pathway for phase nucleation in a high-entropy alloy[J]. Acta Mater., 2019, 178: 1
28	Guo C, Zhao Y P, Deng Y Y, et al. A phase-field study on interaction process of moving grain boundary and spinodal decomposition[J]. Acta Phys. Sin., 2022, 71: 078101
28	郭灿, 赵玉平, 邓英远等. 运动晶界与调幅分解相互作用过程的相场法研究[J]. 物理学报, 2022, 71: 078101

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