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Comparison of two tungsten–helium interatomic potentials

Published online by Cambridge University Press:  28 January 2015

Li-Fang Wang ,
Xiaolin Shu  and
Guang-Hong Lu
Li-Fang Wang
Affiliation:
Department of Physics, School of Physics and Nuclear Engineering, Beihang University, Beijing 100191, China
Xiaolin Shu*
Affiliation:
Department of Physics, School of Physics and Nuclear Engineering, Beihang University, Beijing 100191, China
Guang-Hong Lu
Affiliation:
Department of Physics, School of Physics and Nuclear Engineering, Beihang University, Beijing 100191, China
*
a)Address all correspondence to this author. e-mail: [email protected]
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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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Articles
Information
Journal of Materials Research , Volume 30 , Issue 9: Focus Issue: Characterization and Modeling of Radiation Damage on Materials: State of the Art, Challenges, and Protocols , 14 May 2015 , pp. 1464 - 1472
Copyright
Copyright © Materials Research Society 2015 

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Footnotes

Contributing Editor: William J. Weber

References

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