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Materials
Volume 18
Issue 13
10.3390/ma18133048
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Review

Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior

by
Xiaoqiong Wang
1,
Yuejia Wang
1,
Guangyu Li
1,2,*,
Wenming Jiang
3,*,
Jun Wang
4,
Xing Kang
1,
Qiantong Zeng
1,
Shan Yao
1,2 and
Pingkun Yao
1
1
School of Materials Science and Engineering, Dalian University of Technology, Dalian 116024, China
2
Ningbo Institute of Dalian University of Technology, Dalian University of Technology, Ningbo 315000, China
3
State Key Laboratory of Materials Processing and Die & Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
4
State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072, China
*
Authors to whom correspondence should be addressed.
Materials 2025, 18(13), 3048; https://doi.org/10.3390/ma18133048
Submission received: 25 May 2025 / Revised: 17 June 2025 / Accepted: 20 June 2025 / Published: 26 June 2025
(This article belongs to the Special Issue High-Performance Lightweight Alloy Materials and Their Advanced Forming Technologies)
Review Reports Versions Notes

Abstract

Bimetals have broad application prospects in many fields due to the combination of the performance characteristics of the two materials, but weak interface bonding limits their promotion and application. Therefore, studying the interfacial behavior to achieve bimetallic strengthening is the focus of this field. However, it is often difficult or costly to visually observe the interfacial behavior using traditional experimental methods. Molecular dynamics (MD) is an advanced microscopic simulation method that can conveniently, rapidly, accurately and intuitively study the diffusion and mechanical behavior at the bimetallic interfaces, providing a powerful tool and theoretical guidance to reveal the nature of interfacial bonding and the strengthening mechanism. This paper summarizes the research progress on molecular dynamics in the bimetallic formation process and mechanical behavior, including Al/Cu, Al/Mg, Al/Ni, Al/Ti, Al/Fe, Cu/Ni, and Fe/Cu. In addition, the future development direction is outlined to provide theoretical basis and experimental guidance for further exploring the formation process and performance enhancement of the bimetallic interfaces.
Keywords: bimetal; interfacial behavior; mechanical properties; molecular dynamics simulation; research progress; prospect bimetal; interfacial behavior; mechanical properties; molecular dynamics simulation; research progress; prospect

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MDPI and ACS Style

Wang, X.; Wang, Y.; Li, G.; Jiang, W.; Wang, J.; Kang, X.; Zeng, Q.; Yao, S.; Yao, P. Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. Materials 2025, 18, 3048. https://doi.org/10.3390/ma18133048

AMA Style

Wang X, Wang Y, Li G, Jiang W, Wang J, Kang X, Zeng Q, Yao S, Yao P. Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. Materials. 2025; 18(13):3048. https://doi.org/10.3390/ma18133048

Chicago/Turabian Style

Wang, Xiaoqiong, Yuejia Wang, Guangyu Li, Wenming Jiang, Jun Wang, Xing Kang, Qiantong Zeng, Shan Yao, and Pingkun Yao. 2025. "Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior" Materials 18, no. 13: 3048. https://doi.org/10.3390/ma18133048

APA Style

Wang, X., Wang, Y., Li, G., Jiang, W., Wang, J., Kang, X., Zeng, Q., Yao, S., & Yao, P. (2025). Review of Molecular Dynamics Simulation of Bimetallic Interfacial Behavior. Materials, 18(13), 3048. https://doi.org/10.3390/ma18133048

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