MAB相（MoAlB和Fe2AlB2）与MAX相的缺陷行为和辐射耐受性比较
Defect behavior and radiation tolerance of MAB phases (MoAlB and Fe2AlB2) with comparison to MAX phases
摘要：
MAB相是一种新型的层状三元材料，已经显示出许多出色的性能。在这里，我们调查的两个MAB相，MoAlB和Fe2AlB2的缺陷演化和辐射耐受性，使用实验表征和第一性原理计算相结合。我们发现Fe2AlB2比MoAlB更能耐受辐射诱导的非晶化，在150 °C和300 °C下都是如此。结果可以通过以下事实来解释：Mo Frenkel对在MoAlB中不稳定，因此，预期经辐照的MoAlB具有显著浓度的MoAl反位，其即使在300 °C下也难以退火。我们发现，MAB相的辐射诱导非晶化的耐受性低于MAX相，但它是可比的SiC。然而，MAB相不显示在相同的辐照条件下在MAX相中观察到的辐射诱导开裂。这项研究表明，MAB相可能是一类有前途的材料，涉及辐射的应用。
英文摘要：
MAB phases are a new class of layered ternary materials that have already shown a number of outstanding properties. Here, we investigate defect evolution and radiation tolerance of two MAB phases, MoAlB and Fe2AlB2, using a combination of experimental characterization and first-principles calculations. We find that Fe2AlB2 is more tolerant to radiation-induced amorphization than MoAlB, both at 150 °C and at 300 °C. The results can be explained by the fact that the Mo Frenkel pair is unstable in MoAlB and as a result, irradiated MoAlB is expected to have a significant concentration of MoAl antisites, which are difficult to anneal even at 300 °C. We find that the tolerance to radiation-induced amorphization of MAB phases is lower than in MAX phases, but it is comparable to that of SiC. However, MAB phases do not show radiation-induced cracking which is observed in MAX phases under the same irradiation conditions. This study suggests that MAB phases might be a promising class of materials for applications that involve radiation.
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