Becquart Charlotte S, Domain Christophe
Laboratoire de Métallurgie Physique et Génie des Matériaux, UMR 8517, Université des Sciences et Technologies de Lille I, 59655 Villeneuve d'Ascq Cedex, France.
Phys Rev Lett. 2006 Nov 10;97(19):196402. doi: 10.1103/PhysRevLett.97.196402.
We use state of the art ab initio calculations to obtain the diffusion properties of He in tungsten. The calculated migration energy of He is very low, around 0.06 eV. This value is much lower than the experimental field-ion microscopy results which lead to a migration energy of the order of 0.24-0.32 eV. The reason for this discrepancy is the high propensity for He to form He-He clusters characterized by a very large binding energy of the order of 1 eV. Such a large binding energy indicates that He atoms can be trapped by other He atoms and can explain the formation of He blisters close to the surface of He implanted tungsten.
我们使用最先进的从头计算方法来获得氦在钨中的扩散特性。计算得出的氦的迁移能非常低,约为0.06电子伏特。该值远低于实验场离子显微镜的结果,后者得出的迁移能约为0.24 - 0.32电子伏特。这种差异的原因是氦极易形成氦 - 氦团簇,其结合能非常大,约为1电子伏特。如此大的结合能表明氦原子会被其他氦原子捕获,这可以解释在氦注入钨表面附近形成氦泡的现象。