ArticleScientific reports2017
Clustering on Magnesium Surfaces - Formation and Diffusion Energies.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- High sensitivity saliva-based biosensor in detection of breast cancer biomarkers: HER2 and CA15-3.Journal of vacuum science and technology. B, Nanotechnology & microelectronics : materials, processing, measurement, & phenomena : JVST B · 2024Article
- Enhanced Electron Correlation and Significantly Suppressed Thermal Conductivity in Dirac Nodal-Line Metal Nanowires by Chemical Doping.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Article
- First-Principles Studies on the Atomistic Properties of Metallic Magnesium as Anode Material in Magnesium-Ion Batteries.ChemSusChem · 2022Article
- Visualization and validation of twin nucleation and early-stage growth in magnesium.Nature communications · 2022Article
- Branching of Titanium Nanorods.Nanomaterials (Basel, Switzerland) · 2021Article
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Authors and funding
3 authors.
Funding
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Abstract
The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a [Formula: see text], clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface [Formula: see text] is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich-Schwoebel barriers converge as the step height is three atomic layers or thicker. Adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.
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Registered trials
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