Abstract
This article deals with a Ti-Al alloy system. Molecular dynamics simulation was used to simulate and explore the mass transfer behavior during the laser fabrication process at atomic scale. The research goal is to investigate the mass transfer mechanism at atomic scale and the movement of solute atoms during the laser fabrication process. The mean square displacement (MSD), radial distribution function (RDF), atomic number density, and atomic displacement vector were calculated to characterize it. The results show that the TiAl alloy is completely melted when heated up to 2400 K, and increasing the temperature past 2400 K has little effect on mass transfer. As the heating time increases, the diffusion coefficient gradually decreases, the diffusion weakens, and the mass transfer process gradually stabilizes. In Ti-Al binary alloys, the diffusion coefficients of different solute atoms are related to the atomic fraction. During the melting process, the alloy particle system has a greater diffusion coefficient than the elemental particle system.
Highlights
Laser fabrication has developed rapidly in recent years
Laser fabrication for high-throughput preparation requires the process to be carried out over a short time and at a high speed. This means that the mass transfer behavior in the molten pool of laser fabrication is highly important
It is necessary to develop a comprehensive understanding of the mass transfer behavior in the molten pool and of the effects of different process parameters in the high-throughput preparation process of laser fabrication in order to better control the mass transfer process and obtain samples with excellent performance [4,5,6]
Summary
Laser fabrication has been widely used in the preparation of various surface coatings, small precision parts, and large complex components. In recent years, this technology has begun to be used in the research and development of the high-throughput preparation of alloy materials. Laser fabrication for high-throughput preparation requires the process to be carried out over a short time and at a high speed. This means that the mass transfer behavior in the molten pool of laser fabrication is highly important. The lack of an understanding of the mass transfer in the molten pool has necessitated the use of the traditional trial-and-error method for the optimization of processing conditions, making it Metals 2020, 10, 1660; doi:10.3390/met10121660 www.mdpi.com/journal/metals
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