Large scale \textit{ab-initio} simulations of dislocations
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Publication:2122748
DOI10.1016/j.jcp.2020.109249OpenAlexW2954442695MaRDI QIDQ2122748
Michael Ortiz, Kaushik Bhattacharya, M. Ponga
Publication date: 7 April 2022
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1907.02604
density functional theorymagnesiumscrew dislocationslarge-scale ab-initio simulationspetascale simulationsprismatic dislocation loops
Related Items (2)
Spectral quadrature for the first principles study of crystal defects: application to magnesium ⋮ Spectral approximation scheme for a hybrid, spin-density Kohn-Sham density-functional theory in an external (nonuniform) magnetic field and a collinear exchange-correlation energy
Uses Software
Cites Work
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