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Comparison of two tungsten–helium interatomic potentials

  • Li-Fang Wang (a1), Xiaolin Shu (a1) and Guang-Hong Lu (a1)

Abstract

We have clarified the performance of two tungsten–helium analytical interatomic potentials, one of which, developed by Li et al., is a bond-order potential, and another, developed by Juslin et al., is a combination of embedded atom method potential and pair potential. Using these two potentials, we have simulated and made a full comparison of formation energy and migration energy of different defects including helium and vacancy, binding energies of helium and vacancy with helium-vacancy cluster, surface energy, as well as melting point, with reference to the corresponding results from the first-principles and experiments.

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a) Address all correspondence to this author. e-mail: shuxlin@buaa.edu.cn

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Contributing Editor: William J. Weber

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References

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