Atomic structures of ordered monolayer GP zones in Mg-Zn-X (X= Ca, Nd) systems
نویسندگان
چکیده
Atomic structures of ordered monolayer Guinier-Preston (GP) zones in Mg-Zn-X (X = Ca, Nd) systems are predicted based on first-principles calculations combined with the statistical-mechanical approach cluster expansion. Multiple metastable GP various compositions identified both systems. The show striking similarities and all structurally related to Mg2X each X atom 6-fold coordinated by Mg atoms HCP basal plane. An increased number replaced Zn form at an Zn/X ratio due strong attractive interactions between solutes, which ultimately leads lower formation energies zones. Simulated TEM images diffraction patterns agree well prior experimental observations.
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ژورنال
عنوان ژورنال: Scripta Materialia
سال: 2022
ISSN: ['1359-6462', '1872-8456']
DOI: https://doi.org/10.1016/j.scriptamat.2022.114744