Molecular Dynamics Simulation on the Interfacial Behavior of Mg/Mg-Zn-Al Brazing with Ultrasonic Assistance

doi:10.11900/0412.1961.2024.00022

Acta Metall Sin

2026, Vol. 62

Issue (2): 372-382 DOI: 10.11900/0412.1961.2024.00022

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Molecular Dynamics Simulation on the Interfacial Behavior of Mg/Mg-Zn-Al Brazing with Ultrasonic Assistance

JIANG Guolong, ZHOU Xia(

)

State Key Laboratory of Structural Analysis for Industrial Equipment, School of Mechanics and Aerospace Engineering, Dalian University of Technology, Dalian 116024, China

Cite this article:

JIANG Guolong, ZHOU Xia. Molecular Dynamics Simulation on the Interfacial Behavior of Mg/Mg-Zn-Al Brazing with Ultrasonic Assistance. Acta Metall Sin, 2026, 62(2): 372-382.

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Abstract

Magnesium alloys are characterized by low density, high specific strength, high specific modulus, and excellent heat dissipation, which have garnered increasing attention from both academia and industry. Brazing, as a metal and alloy joining technique, is highly valued for its stability in forming and its ability to preserve the microstructure and properties of the base metal. However, due to magnesium's high chemical activity, low melting point, high thermal and electrical conductivity, and tendency to oxidize easily, selecting and designing suitable solder for the brazing process present significant challenges. The Mg-Zn-Al alloy, with its low melting point and composition matching the base metal, is considered a suitable filler metal for brazing magnesium alloys. To study the interfacial diffusion behavior of the molten Mg-Zn-Al alloy during the brazing of Mg-based metals and the influence of the ultrasonic-assisted vibration parameters on the brazing process, a Mg/Mg-Zn-Al interface molecular model was constructed to study the microscopic mechanisms involved. The diffusion behavior at the Mg/Mg-Zn-Al interface was simulated using molecular dynamics on the nanoscale, exploring how ultrasonic assistance on the mechanical properties of the interface, including an analysis of the temperature and strain rate response at the brazing interface under ultrasonic assistance. The results show that ultrasonic assistance increases the diffusion coefficient of the system by 5-10 times and the thickness of the bonding layer by 2.5-7.6 times, significantly lowering the required brazing temperature. Furthermore, while both ultrasonic frequency and amplitude enhance interface equilibrium, increasing the ultrasonic frequency leads to a thicker and more uniformly distributed bonding layer. In terms of mechanical properties, the tensile strength of the ultrasonic-assisted brazing interface, with an amplitude of 0.2 nm and a frequency of 1000 GHz, is 11.5% higher than that of a high-temperature brazing interface. Meanwhile, compared with the mechanical behavior of the interface under various loading conditions, the mechanical properties of the brazing interface are more temperature-sensitive than strain-rate-sensitive, with high-temperature conditions amplifying strain-rate sensitivity for maximum tensile stress.

Key words: ultrasonic assistance magnesium base filler metal molecular dynamics simulation diffusion behavior mechanical property

Received: 23 January 2024

ZTFLH:

TG425

Corresponding Authors: ZHOU Xia, professor, Tel: (0411)84706782, E-mail: zhouxia@dlut.edu.cn

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https://www.ams.org.cn/EN/10.11900/0412.1961.2024.00022 OR https://www.ams.org.cn/EN/Y2026/V62/I2/372

Fig.1 Schematics of Mg/Mg-Zn-Al interface models
(a) sintering process of brazing metal
(b) interface model
(c) ultrasonic assistance

Fig.2 Interfacial diffusion processes of Mg/Mg-Zn-Al system during 1 ns relaxation at 733 K (Solder is Mg-Zn-Al, BM represents base metal Mg)

Fig.3 Mean square displacement (MSD) diagrams of BM (a) and solder (b), and Mg (c) and Zn (d) atoms in solder at different temperatures

Fig.4 Diffusion coefficients (D) of BM and solder at different temperatures (T—temperature)

Fig.5 Diffusion activation energies of BM and solder calculated by linear fitting of lnD and 1 / T

Fig.6 Temperature variations (a) and atomic structure evolutions (b) during diffusion process of Mg/Mg-Zn-Al interface with ultrasonic assistance

Fig.7 Temperature variations at the Mg/Mg-Zn-Al interface at 633 K (a1-a4), 693 K (b1-b4), and 773 K (c1-c4) under different ultrasonic amplitudes
(a1-c1) 0.1 nm (a2-c2) 0.2 nm
(a3-c3) 0.3 nm (a4-c4) 0.4 nm

Fig.8 Atomic distribution fractions at the Mg/Mg-Zn-Al interface after 1 ns oscillation at 633 K (a1-e1), 693K (a2-e2), and 773 K (a3-e3) under different ultrasonic amplitudes
(a1-a3) 0 nm (without ultrasonic assistance) (b1-b3) 0.1 nm (c1-c3) 0.2 nm (d1-d3) 0.3 nm (e1-e3) 0.4 nm

Fig.9 MSD (a1, a2) and diffusion coefficient (b1, b2) diagrams of solder (a1, b1) and BM (a2, b2) under different temperatures and amplitudes

Fig.10 Thicknesses of Mg/Mg-Zn-Al interface with different ultrasonic amplitudes

Fig.11 Temperature variations at Mg/Mg-Zn-Al interface under ultrasonic frequencies of 125 GHz (a), 250 GHz (b), 500 GHz (c), and 1000 GHz (d)

Fig.12 Diffusion coefficients of solder (a) and BM (b) and thickness of Mg/Mg-Zn-Al interface (c) under different ultrasonic frequencies

Fig.13 Low (a) and locally high (b) magnified SEM images of the Mg/Mg-Zn-Al brazing interface under ultrasonic assistance

Fig.14 Schematics of tensile failure process of Mg/Mg-Zn-Al brazing interface under an ultrasonic amplitude of 0.2 nm and an ultrasonic frequency of 500 GHz at 693 K (ε—strain) (a) and simulated tensile stress-strain curves under different ultrasonic parameters (b)

Fig.15 Simulated tensile stress-strain curves of Mg/Mg-Zn-Al brazing interface with strain rates of 5 × 10⁸ s^-1 (a), 1 × 10⁹ s^-1 (b), 3 × 10⁹ s^-1 (c), and 5 × 10⁹ s^-1 (d) under different temperatures

Fig.16 Strength (σ) of the Mg/Mg-Zn-Al brazing interface as a function of strain rate ( $ε ˙$ ) under various temperatures (Slope is strain rate sensitivity exponent)

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