Structural properties and energy analysis of ZrxCu92−xAl8 ternary metallic glasses

Zhao, Jingfeng; Liu, C.T.; Inoue, Akihisa; Liaw, Peter K.; Chen, Guang; Fan, Chenglei

doi:10.1016/j.commatsci.2017.07.045

Cited by 7 publications

(1 citation statement)

References 36 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…While many studies have focused on the mass transfer behavior in the laser fabrication process, most of these have been carried out at the mesoscopic or macro level, usually at the millimeter length scale, and have been hampered by the limitations of the finite element method [11][12][13][14][15]. By contrast, molecular dynamics (MD) simulations can simulate the behavior of materials at the atomic scale, and the calculation method has greater physical meaning and is more accurate than the finite element method, providing a more microscopic understanding of the dynamic processes under study [16][17][18][19][20][21][22][23][24][25][26]. In the MD studies of laser melting, Tan et al [27] established an Fe-Al double-layer powder model using LAMMPS (Large-scale Atomic Molecular Massively Parallel Simulator) and simulated the movement of the solute atoms during the selective laser melting (SLM) process.…”

Section: Introductionmentioning

confidence: 99%

Atomic-Scale Mechanism Investigation of Mass Transfer in Laser Fabrication Process of Ti-Al Alloy via Molecular Dynamics Simulation

Cui

Zhou

Meng

2020

Metals

View full text Add to dashboard Cite

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.

show abstract