Twin boundaries (TBs) are effective sinks for solutes to segregate, as they may drive the
structural transformation and therefore tailor the properties of magnesium alloys. In this …

This study employs first-principles calculations to investigate the impact of solute
segregation on the mechanical properties of the Mg twin boundary (TB). The investigation …

Twin boundaries play an important role in shaping the mechanical properties of Mg and Mg
alloys. In this study, we simulate the segregation energies (SEs) of 23 solutes in the profuse …

The co-segregation behaviors of Zn and Ca at {10 1¯ 2} and {10 1¯ 1} twin boundaries (TBs)
were investigated by analyzing the segregation energy and strain field on atomic-scale …

The twin-boundary segregation energies of {10-12}< 10-1-1> tension twins and the solute-
diffusion activation enthalpies for various Mg-based binary systems were computed using …

This work presents a comprehensive first-principles density functional theory (DFT) study of
solute segregation at {10 1 1} and {10 1 2} twin boundaries (TBs) in Mg. A total of 56 solute …

In this study, solute X (X= Li, Al, Mn, Zn, Y, Zr, Nd, and Gd) solution strengthening in Mg
alloys have been screened by ab initio density functional theory calculations to quantify not …

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 …

To understand the interface characteristics between the precipitate β 2′ and the Mg matrix,
and thus guide the development of new Mg-Zn alloys, we investigated the atomic interface …

Segregation of solute atoms at twin boundaries (TBs) plays a critical role in mechanical
properties and thermal stability of magnesium alloys. Here, segregation structures at {10 1¯ …