Browsing Titles index "Physical review materials"

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  • Diffusion mechanism of bound Schottky defect in magnesium oxide 

    Mahmoud, Sami; Carrez, Philippe; Landeiro Dos Reis, Marie; Mousseau, Normand; Cordier, Patrick (American Physical Society, 2021-03-25)
    In simple ionic crystals, intrinsic point defects must satisfy electrical neutrality and exist as Schottky defects. In magnesium oxide (MgO), a Schottky defect is then a combination of anionic and cationic vacancies. Since vacancies are charged, the ...

  • Pressure effect on diffusion of carbon at the 85.91◦ 100 symmetric tilt grain boundary of α-iron 

    Rahman, Md Mijanur; El-Mellouhi, Fedwa; Bouhali, Othmane; Becquart, Charlotte; Mousseau, Normand (American Physical Society, 2021-04-19)
    The diffusion mechanism of carbon in iron plays a vital role in carburization processes, steel fabrication, and metal dusting corrosion. In this paper, using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo algorithm ...