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Published on: August 13, 2019
Atomistic insight into Al-Mg friction stir welding process via molecular dynamics simulation
Van-Thuc Nguyen1, Van Huong Hoang1, Thanh Tan Nguyen1
1Faculty of Mechanical Engineering, HCMC University of Technology and Engineering, Ho Chi Minh City, Vietnam.
Plos One
|June 4, 2026
Summary
Friction stir welding (FSW) of Mg-Al joints using molecular dynamics simulations reveals that tool pin geometry and process parameters significantly influence atomic mixing and weld quality. Higher speeds and rotation enhance atomic diffusion and amorphous phase formation.
Area of Science:
- Materials Science
- Computational Materials Science
- Mechanical Engineering
Background:
- Friction stir welding (FSW) is a solid-state joining process known for producing high-quality welds with unique microstructures.
- Molecular dynamics (MD) simulations are increasingly used to investigate FSW at the atomic level, but the influence of tool geometry is often overlooked.
Purpose of the Study:
- To investigate the dissimilar welding of Mg-Al joints using MD simulations.
- To examine the effects of tool travel speed, rotation speed, and tool pin geometry on Mg-Al weld formation.
Main Methods:
- Dissimilar welding of Mg-Al was simulated using molecular dynamics.
- Parameters varied included tool travel speed (500-2000 m/s), rotation speed (12 rad/ps), and tool pin geometries (rectangular prism, cone, triangular, tube).
- Atomic strain distribution, temperature zones, and amorphous fraction were analyzed.
Main Results:
- Aluminum atoms exhibited greater mixing into the magnesium plate compared to magnesium atoms in the aluminum plate.
- Increased travel speed led to higher atomic strain, temperatures up to 1000 K, and an 18.8% amorphous fraction.
- Higher rotation speeds amplified plastic deformation and high-temperature zones, with peak atomic mixing at 12 rad/ps.
- Rectangular prism and cone tool geometries resulted in higher heating, while triangular and tube geometries improved stirring.
Conclusions:
- Tool pin geometry and process parameters critically affect atomic mixing and microstructure evolution in Mg-Al FSW joints.
- MD simulations provide valuable atomic-level insights into the mechanics of FSW.
- Future research should explore the impact of offset distance and tool angle on material flow.

