Strain field due to self-interstitial impurity in Ni

作者: Hitesh Sharma , S. Prakash

DOI: 10.1007/BF02705077

关键词: Crystallographic defectField (physics)OctahedronMagnitude (mathematics)Matrix (mathematics)Basis (linear algebra)ImpurityInteratomic potentialCondensed matter physicsMaterials science

摘要: The embedded-atom method have been applied to study the strain field produced by self-interstitial impurity at octahedral site in Ni. calculation carried out consistently on basis of discrete lattice theory, using Kanzaki method. atomic force constants are evaluated Wills and Harrison interatomic potential. dynamical matrix external considering interaction up first nearest neighbors. displacements tabulated 20NN’s. These oscillatory nature decreasing magnitude with NN’s distance. physical properties such as formation energy volume change calculated accordance earlier studies.

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