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We describe the parameterization of a tungsten-hydrogen empirical potentialdesigned for use with large-scale molecular dynamics simulations of highlyirradiated tungsten containing hydrogen isotope atoms, and report test results.Particular attention has been paid to getting good elastic properties,including the relaxation volumes of small defect clusters, and to theinteraction energy between hydrogen isotopes and typical irradiation-induceddefects in tungsten. We conclude that the energy ordering of defects changeswith the ratio of H atoms to point defects, indicating that this potential issuitable for exploring mechanisms of trap mutation, including vacancy loop toplate-like void transformations.

An empirical potential for simulating hydrogen isotope retention in highly irradiated tungsten