Review Article
Modeling of Stacking Fault Energy in Hexagonal-Close-Packed Metals
Table 1
Calculated stable SFE (mJ/m2) and unstable SFE (mJ/m2) for Mg and Mg alloys by DFT with different exchange-correlation functionals.
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Note: aChetty and Weinert calculated with LDA [17]. bSmith calculated with GGA-PBE [18]. cWen et al. calculated with GGA-PW91 [28]. dMuzyk et al. calculated with GGA-PBE; the concentration of alloying atoms was 2% in supercell and 25% in slip layers [29]. eHu and Yang calculated with LDA [23]. fFan et al. calculated with GGA-PW91 [22]. gSandlöbes et al. calculated with GGA-PBE [20]. hZhang et al. calculated with GGA-PW91; the concentration of alloying atoms was 1% in supercell and 11.1% at the fault plane [32]. iWang et al. calculated with GGA [19]. jWang et al. calculated with GGA [35]. kHan et al. calculation with GGA of Mg-1.67% Y alloys [30]. |