刊名:Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
出版年:2017
出版时间:15 February 2017
年:2017
卷:393
期:Complete
页码:164-168
全文大小:1437 K
卷排序:393
文摘
The interaction of H and He interstitial atoms with ½〈1 1 1〉 and 〈1 0 0〉 loops in tungsten (W) was studied by means of Molecular Static and Molecular Dynamics simulations. A recently developed interatomic potential was benchmarked using data for dislocation loops obtained earlier with two other W potentials available in literature. Molecular Static calculations demonstrated that ½〈1 1 1〉 loops feature a wide spectrum of the binding energy with a maximum value of 1.1 eV for H and 1.93 eV for He as compared to 0.89 eV and 1.56 eV for a straight ½〈1 1 1〉{1 1 0} edge dislocation. For 〈1 0 0〉 loops, the values of the binding energy were found to be 1.63 eV and 2.87 eV for H and He, respectively. These results help to better understand the role played by dislocation loops in H/He retention in tungsten. Based on the obtained results, a contribution of the considered dislocation loops to the trapping and retention under plasma exposure is discussed.
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