The influence of interatomic potentials on the interaction of He with a \documentclass{article}\pagestyle{empty}\begin{document}$ \frac{1}{2}\left\langle {111} \right\rangle $\end{document} {110} edge dislocation in molybdenum

Abstract

AbstractThe binding of clusters of up to four helium atoms to a \documentclass{article}\pagestyle{empty}\begin{document}$ \frac{1}{2}\left\langle {111} \right\rangle $\end{document} {110} edge dislocation in Mo is calculated, using two sets of interaction potentials. The first set contains MoMo, MoHe, and HeHe potentials derived by several authors between 1970 and 1974. The second set contains potentials recently fitted to phonon curves and helium desorption experiments. Both sets give binding energies between He and the dislocation of respectively 1.6 and 1.8 eV and binding energies between dislocation bound helium of 0.7/0.9 and ;0.2/+0.1 eV, respectively. The migration energy of helium along the dislocation is found to be equal to that in the bulk.