Stabilities of substitutional solutes in α-iron under uniaxial strain

Computational Materials Science(2024)

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Abstract
•Estimation of the volumetric contribution to segregation energy of solute in iron under uniaxial tensile strain.•Linear relationship between the segregation energy changes owing to the tensile strain and the Young modulus changes relative to α-iron due to alloying.•Segregation energy changes owing to isotropic strain with fixing shape deformation well explained within a harmonic solid model considering alloying effect on bulk modulus.•Linear decreasing trend of mixing energy of main-group solute with the increasing tensile strain.
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substitutional solutes
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