Molecular dynamics simulations of the diffusion and coalescence of helium in tungsten

作者: Y.L. Zhou , J. Wang , Q. Hou , A.H. Deng

DOI: 10.1016/J.JNUCMAT.2013.11.034

关键词:

摘要: Molecular dynamics (MD) simulations are performed on the diffusion and coalescence of helium in tungsten. A new method for determining effective capture radii (ECRs) dissociation energies helium-related defects is proposed this work. It observed that ECR an interstitial atom trapping interstitials (denoted as He–Hen, n = 1–3) decreases with increasing temperature, except He–He2 at T D3 > D4 < 500 K, which can be attributed to disordered structure He5. The Arrhenius relation describes Hen well temperature range from 300 K 550 whereas not a standard thermally activated process higher temperatures. Taken together, these results help elucidate initial stage bubble formation tungsten requirements long-term evolution methods such KMC or RT models.

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