Lattice statics calculations for interstitial atoms in tungsten

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Abstract
For pt.I see ibid., vol.3, 1285 (1973). A modified Green function approach suggested earlier by the authors has been applied to the calculation of lattice distortion fields and energies and volumes of formations for six interstitial configurations in tungsten. Two interatomic potentials, one fitted to the phonon spectrum and the other, derived by Johnson and Wilson (1972), to elastic constants, were used in numerical calculations. Results for the energy of formation show considerable sensitivity to the form of the potential, as expected from previous work. An expression is derived for the volume of formation which includes a correction to the standard formula involving the defect strength divided by the bulk modulus. This correction term depends explicitly on the volume dependent part of the crystal energy and vanishes for a Cauchy crystal. Expressions are also derived for the energy and volume of formation of a Frenkel pair.