Site preference, size effects and segregation in RuAlB alloys
2008
The atomistic modeling of site preference, size effects and segregation behavior of boron additions to RuAl is performed using a quantum approximate method based on first-principles parameterization. The energetics of the site preference behavior are linked to the explanation of the observed size effects. The dependence of the equilibrium lattice parameter and bulk modulus on B concentration is also shown.
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