Comparison of two tungsten–helium interatomic potentials

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作者
Li-Fang Wang
Xiaolin Shu
Guang-Hong Lu
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[1] Beihang University,Department of Physics, School of Physics and Nuclear Engineering
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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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页码:1464 / 1472
页数:8
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