Modified embedded-atom method interatomic potentials for Mg-Nd and Mg-Pb binary systems

Kim, Ki‐Hyun; Lee, Byeong-Joo

doi:10.1016/j.calphad.2017.03.003

Cited by 15 publications

(2 citation statements)

References 61 publications

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“…As listed in Table 1, the MgX (X=Al, Li, Y, Sn, Ca, Pb, Nd) potentials proposed by Lee and coworkers [14,[19][20][21], and the MgCa proposed by Groh [22] were derived from the pure magnesium potential proposed by Kim et al [14]. Using the magnesium potential recently proposed by Wu et al [17], Groh developed models for MgAg and MgY [23,24].…”

Section: Interatomic Potential Available In the Literature For Mgx Bi...mentioning

confidence: 99%

“…In this work, molecular statics calculations were performed using the (M)EAM implementations of the LAMMPS package [35], and atomic configurations were visualized using the OVITO package [36]. [13]; c [12]; d [14]; e [16]; f [15]; g [26]; h [25]; i [19]; j [20]; k [21]; l [22]; m [24]. n [23].…”

Section: Interatomic Potential Available In the Literature For Mgx Bi...mentioning

confidence: 99%

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Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

Nahhas

Groh

2018

Journal of Physics and Chemistry of Solids

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Section: Interatomic Potential Available In the Literature For Mgx Bi...mentioning

confidence: 99%

Section: Interatomic Potential Available In the Literature For Mgx Bi...mentioning

confidence: 99%

Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

Nahhas

Groh

2018

Journal of Physics and Chemistry of Solids

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Decomposition of $$\langle {c}+{a}\rangle $$ Dislocations in Magnesium Alloys

Tang

Tian

et al. 2022

Acta Mech. Solida Sin.

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Atomistic insight into three-dimensional twin embryo growth in Mg alloys

Kochmann

2023

J Mater Sci

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Magnesium (Mg) alloys are essential for industrial applications but poorly understood from a mechanistic perspective, while a comprehensive understanding of their mechanical behavior can guarantee a more efficient alloy design as well as a greater application potential. As one of the key deformation mechanisms in Mg and Mg alloys, twinning is investigated in this work. Molecular dynamics simulations are used to perform a systematic study of the effect of alloying elements and solute compositions on twin embryo growth in nine Mg alloys. The alloying elements include Al, Zn, Li, Ca, Pb, Nd, Ce, Sn, and Y, covering a wide range of element properties such as lattice constant, bulk/shear modulus, and cohesive energy. We demonstrate a faster migration of the dark side than the bright side of twin embryos in both pure Mg and Mg alloys. All solute atoms tested in this work exhibit a pinning effect on the motion of twin facets on the dark side. The motion of facets on the bright side, particularly twin boundaries, can be accelerated by solutes. Therefore, the majority of solutes can reduce the velocity difference between the dark side and the bright side of the twin. The overall twin embryo growth is restricted in most alloys except Mg–Y, Mg–Li and Mg–Nd with certain solute concentrations. Our results present important insight for tailoring twin structures and hence the mechanical properties of Mg alloys. Graphical abstract

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Modified embedded-atom method interatomic potentials for Mg-Nd and Mg-Pb binary systems

Cited by 15 publications

References 61 publications

Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

Decomposition of $$\langle {c}+{a}\rangle $$ Dislocations in Magnesium Alloys

Atomistic insight into three-dimensional twin embryo growth in Mg alloys

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