Segregation Behavior of Solute Atoms at Al∑5[001](210) Grain Boundaries and the Effect of Temperature on Grain Boundary Properties

被引：0

作者：

Fan, Shanming ^{[1
]}

Yang, Zhen ^{[1
,2
]}

Peng, Mingjun ^{[1
]}

Hong, Yao ^{[3
]}

Duan, Yonghua ^{[1
]}

Zhou, Xiaolong ^{[1
]}

Li, Mengnie ^{[1
]}

机构：

[1] Kunming Univ Sci & Technol, Fac Mat Sci & Engn, Yunnan Key Lab Integrated Computat Mat Engn Adv Li, Kunming 650093, Peoples R China

[2] Kunming Met Res Inst Co Ltd, Kunming 650031, Yunnan, Peoples R China

[3] Yunnan Aluminium Co Ltd, Kunming 650502, Peoples R China

来源：

JOM | 2025年 / 77卷 / 07期

关键词：

DISLOCATION DENSITY; AL SIGMA-5; STRENGTH; STRAIN; SURFACE; NI; EVOLUTION; ENERGIES; DESIGN; ALLOYS;

D O I：

10.1007/s11837-025-07426-8

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The doping of Al & sum;5(210) grain boundaries with eight different solute atoms was simulated using molecular dynamics, and the effects of different doping elements, temperatures, and doping contents on the energies, microstructures of grain boundaries, and dislocations were investigated. The results show that the doping of Ti, V, and Zr elements can effectively reduce the grain boundary energy of the Al & sum;5(210) grain boundaries, and the higher the doping content, the greater the effect on the grain boundary energy, while the Cu and Ti elements have a good ability to segregation in Al & sum;5[001](210) grain boundaries. With the increase of temperature, the dislocations gradually undergo annihilation, and the dislocations in the Al & sum;5(210) grain boundaries are most affected at 900 K. The dislocations in the Al & sum;5[001](210) grain boundaries are well affected by the increase of temperature. With the increase of solute atom content, a significant lattice distortion is produced, which makes the grain boundary structure of & sum;5(210) more affected.

引用

页码：5570 / 5584

页数：15

共 55 条

[21] Microstructures and mechanical properties of AlCoCrFeNi2.1/6061-T6 aluminum-matrix composites prepared by friction stir processing [J].

Li, Peng ;

Tong, Yiqi ;

Wang, Xingxing ;

Sato, Yutaka S. ;

Dong, Honggang .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2023, 863

[22] Nanointerface Chemistry: Lattice-Mismatch-Directed Synthesis and Application of Hybrid Nanocrystals [J].

Liu, Jia ;

Zhang, Jiatao .

CHEMICAL REVIEWS, 2020, 120 (04) :2123-2170

[23] Materials discovery and design using machine learning [J].

Liu, Yue ;

Zhao, Tianlu ;

Ju, Wangwei ;

Shi, Siqi .

JOURNAL OF MATERIOMICS, 2017, 3 (03) :159-177

[24] Modified embedded-atom method interatomic potentials for Al-Cu, Al-Fe and Al-Ni binary alloys: From room temperature to melting point [J].

Mahata, Avik ;

Mukhopadhyay, Tanmoy ;

Zaeem, Mohsen Asle .

COMPUTATIONAL MATERIALS SCIENCE, 2022, 201

[25] Atomic-scale understanding of solute interaction effects on grain boundary segregation, precipitation, and fracture of ultrahigh-strength maraging steels [J].

Niu, M. C. ;

Chen, C. J. ;

Li, W. ;

Yang, K. ;

Luan, J. H. ;

Wang, W. ;

Jiao, Z. B. .

ACTA MATERIALIA, 2023, 253

[26] Improving the balance between the strength and ductility of γ-TiAl alloy: An adjustment strategy for alloy doping [J].

Pan, Yong ;

Xiao, Xin .

MATERIALS TODAY COMMUNICATIONS, 2025, 42

[27] Adjusting the correlation between the oxidation resistance and mechanical properties of Pt-based thermal barrier coating [J].

Pan, Yong ;

Pu, Delin ;

Jia, Yanlin .

VACUUM, 2020, 172 (172)

[28] RELATIVE ATOMIC SIZE IN SEMICONDUCTOR CHEMISTRY [J].

PEARSON, WB .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1962, 23 (JAN-F) :103-&

[29] FAST PARALLEL ALGORITHMS FOR SHORT-RANGE MOLECULAR-DYNAMICS [J].

PLIMPTON, S .

JOURNAL OF COMPUTATIONAL PHYSICS, 1995, 117 (01) :1-19

[30] Atomic-scale Investigation of Liquid-Metal-Embrittlement Crack-path: Revealing Mechanism and Role of Grain Boundary Chemistry [J].

Razmpoosh, M. H. ;

Langelier, B. ;

Marzbanrad, E. ;

Zurob, H. S. ;

Zhou, N. ;

Biro, E. .

ACTA MATERIALIA, 2021, 204

← 1 2 3 4 5 6 →