Solute Segregation and Pinning Effect on Lateral Twin Boundary in Magnesium

Deformation twinning creates a three-dimensional twin domain via the migration of forward, normal and lateral twin boundaries (TBs) with respect to twin shear direction, normal to twin plane and twin lateral direction. Solute segregation and pinning effect on the forward and normal TBs have been exp...

Full description

Saved in:
Bibliographic Details
Published in:Metals (Basel ) 2024-08, Vol.14 (8), p.942
Main Authors: Zhang, Haoyan, Zhang, Qi, Sun, Haowen, Gong, Mingyu, Wang, Jian, Liu, Yue
Format: Article
Language:English
Subjects:
Achievement tests
Alloying elements
Atomic radius
Crystallography
Deformation effects
Density functional theory
Density functionals
Energy
First principles
Free energy
Gadolinium
Gallium
Heat of formation
Interfaces
Investigations
Magnesium
Misfit dislocations
Molecular dynamics
Pinning
Propagation
Simulation
Solubility
solute segregation
Twin boundaries
twin boundary
Twinning (Crystallography)
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Deformation twinning creates a three-dimensional twin domain via the migration of forward, normal and lateral twin boundaries (TBs) with respect to twin shear direction, normal to twin plane and twin lateral direction. Solute segregation and pinning effect on the forward and normal TBs have been experimentally observed and demonstrated via atomistic simulations. Here, we conducted a comprehensive study of solute segregation and the pinning effect on the lateral TBs in Mg. First-principles density functional theory calculations were used to obtain the segregation and formation energies of 19 alloying elements in coherent regions of lateral TBs. Alloying elements with greater difference in atomic radius from Mg generally show more negative segregation energy. Moreover, alloying elements with good solubility are selected to demonstrate the pinning effect on a coherent interface. Ge, Ga, Y, Gd, La and Ca show negative segregation energy and solubility energy, indicating that these elements can form stable segregation and have a strong pinning effect at the lateral boundary. Molecular dynamics simulations revealed that solutes in coherent regions are more effective in pinning lateral TBs than those in misfit regions. The results provide insight into the selection of solute atoms for tailoring twinning behavior.
ISSN:2075-4701
2075-4701
DOI:10.3390/met14080942