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Abstract
The interactions of an edge dislocation (ED) with collision cascades induced by 5 keV primary knocked-on atoms (PKAs) towards the ED in bcc Fe are studied using classical molecular dynamics (MD) simulations. It is found that the number and distribution of the residual point defects are related to the distance between the initial PKAs and the ED. Based on this result, we provide a comprehensive summary of four characteristic phenomena for cascade–ED interactions, including few interactions, the formation of a vacancy cluster, the sink effect for point defects, and the sub-cascade area affection, depending on the overlap of the peak cascades' area with the ED line. Then a qualitative model is proposed to clearly elucidate the underlying mechanisms of the four situations. Considering that dislocations constitute an essential part of the micro-structure of crystalline solids, our work demonstrates that: the pre-existing dislocations in crystalline materials could induce diverse effects under irradiation environments, which should be taken into account for designing and improving the radiation resistant materials.
Highlights
Among the sustainable clean energy options, nuclear energy holds the promise to provide reliable and enormous electricity at commercially competitive costs with modest impact on the environment.[1]
It's clear that the numbers of the residual self-interstitial atoms (SIAs) and Vacs are nearly identical at a large D, apparently because the cascade area cannot interact with the edge dislocation (ED) in this situation
The numbers of defects loaded along the ED a er the 101 ps relaxation are shown in Fig. 2(b), which can re ect the strength of interactions between the cascade area and the ED line, and provide a better understanding of the diverse cascade–ED effects
Summary
Among the sustainable clean energy options, nuclear energy holds the promise to provide reliable and enormous electricity at commercially competitive costs with modest impact on the environment.[1]. As is well-known, radiation-induced point defects can aggregate to form clusters, stacking fault tetrahedral, voids, and dislocation loops, which eventually results in the degradation (swelling, hardening, amorphization, embrittlement, etc.) of material properties.[6,7] the knowledge of displacement cascades' evolution and point defects' production is the key for understanding the material behaviours under irradiation environments. Molecular dynamics (MD) simulations have become a powerful method to investigate radiation effects in materials for its capacity to give insights into the evolution of atomic displacement cascades within several picoseconds a er
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