An exhaustive analysis based on density functional theory (DFT) simulations of the accumulation of several He atoms has been performed at the vicinity of a non-coherent W $〈110〉$ /W $〈112〉$ interface. The He impurities have been placed both at interstitial positions along the grooves present at each side of the interface and inside the most stable interfacial single vacancy. At such areas, the electronic charge density is lower and the repulsion with the metallic atoms is minimized. Our results show much lower formation energies at both positions studied here as compared to the equivalent bulk cases, confirming the effective great attraction exerted on helium by this kind of interfaces. The most stable groove is completely filled before the system prefers to promote the He atoms to other alternative groove. On the other hand, the vacancy can admit at most seven He atoms, but the successive ones find the best accommodation in the surrounding sites thereafter. This result corroborates the well-known picture of vacancies as efficient sinks for He atoms in W. The binding energy estimation suggests a larger attraction between the He atoms and the vacancy. From the low values obtained at the interface and the energy barriers estimated, we can infer a decreasing mobility of the He clusters along the interface for a given temperature. This situation could favor their accumulation in the stable grooves until they are filled and the outgassing process could subsequently take place. Therefore, a tungsten system with many interfaces, the so-called nanostructured W, can be considered as a good candidate for plasma facing material in a future nuclear fusion reactor.

基于密度泛函理论（DFT）模拟的详尽的分析已在非相干W附近对多个He原子的积累进行了分析 $〈110〉$ /瓦 $〈112〉$界面。He杂质已沿着界面两侧的凹槽以及最稳定的界面单个空位放置在间隙位置。在这样的区域，电荷密度较低，并且与金属原子的排斥最小。我们的结果表明，与等效的大体积情况相比，此处研究的两个位置的形成能都低得多，这证实了这种界面对氦施加的有效巨大吸引力。在系统倾向于将He原子提升到其他替代凹槽之前，最稳定的凹槽已完全填充。另一方面，该空位最多可容纳七个He原子，但随后的原子在此之后的周围位置中找到最佳的适应性。该结果证实了空位作为W中He原子的有效吸收体的众所周知的图片。结合能的估计表明He原子和空位之间的吸引力更大。根据在界面处获得的低值和估计的能垒，我们可以推断出在给定温度下，He簇沿界面的迁移率正在降低。这种情况可能会有利于它们在稳定的凹槽中积累，直到被填充，然后可能进行除气过程。因此，在未来的核聚变反应堆中，具有许多界面的钨系统，即所谓的纳米结构W，可以被认为是面向等离子体的材料的良好选择。根据在界面处获得的低值和估计的能垒，我们可以推断出在给定温度下，He簇沿界面的迁移率正在降低。这种情况可能会有利于它们在稳定的凹槽中积累，直到被填充，然后可能进行除气过程。因此，在未来的核聚变反应堆中，具有许多界面的钨系统，即所谓的纳米结构W，可以被认为是面向等离子体的材料的良好选择。根据在界面处获得的低值和估计的能垒，我们可以推断出在给定温度下，He簇沿界面的迁移率正在降低。这种情况可能会有利于它们在稳定的凹槽中积累，直到被填充，然后可能进行除气过程。因此，在未来的核聚变反应堆中，具有许多界面的钨系统，即所谓的纳米结构W，可以被认为是面向等离子体的材料的良好选择。