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Dislocation loop is a primary indicator of irradiation, and has a profound impact on the microstructural evolution and thermo-mechanical properties of materials. Although both 1/2<111> and <100> loops are clearly identified in bcc metals after irradiation, the underlying mechanism of <100> loop formation remains elusive especially considering its low stability. Here, we explicitly demonstrate the formation of <100> loops through the interaction of two gliding 1/2<111> loops under uniaxial strain via molecular dynamics simulations, while there is no occurrence of <100> loops under strain-free conditions. Such strain-enhanced formation of <100> loops is different from conventional dislocation reaction mechanisms, which contain rigorous prerequisite conditions on the topology and size of the reactant loops, and thus provide a potential explanation for the frequent occurrence of<100> loops. The microscopic analysis suggests that the generation of <100> dislocation loops via bi-loop reaction is a complicated atomistic process involving the coordinated movement and/or rearrangement of multiple interstitials. The activation energy barriers of each reaction step are determined, and generally decrease with increasing uniaxial strain. Specifically, we develop a predictive model to describe the formation probability of<100> loops under different conditions, which is in good agreement with molecular dynamics simulations. These results shed new light on understanding the <100> loop formation, provide a direct link between simulations and experiments, and enable the accurate assessment of irradiation damage evolution in bcc metals.
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| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
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