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Characteristics of the interaction of Cu-rich precipitates with irradiation-produced defects in alpha-Fe

机译:富铜沉淀物与α-Fe中辐照产生的缺陷相互作用的特征

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The interaction between copper-rich precipitates in a-iron and either vacancies or self-interstitial atoms and their clusters is studied by atomic-scale modelling. Results are compared with predictions of elasticity theory and interpreted in terms of size misfit of precipitates and defects, and the modulus and cohesive energy differences between iron and copper. Interstitial defects are repelled by precipitates at large distance but, like vacancies, attracted at small distance. Hence, copper precipitates in iron can be sinks for both vacancy and interstitial defects, and can act as strong recombination centres under irradiation conditions. This leads to a tentative explanation for the mixed Cu-Fe structure of precipitates and the absence of precipitate growth under neutron irradiation conditions. More generally, both vacancy and interstitial defects may be strongly bound to precipitates with weaker cohesion than the matrix.
机译:通过原子尺度模型研究了a-铁中富铜沉淀物与空位或自填隙原子及其簇之间的相互作用。将结果与弹性理论的预测结果进行比较,并根据析出物和缺陷的尺寸失配以及铁和铜之间的模量和内聚能差进行解释。间隙缺陷被远距离的沉淀物排斥,但是像空位一样,被短距离吸引。因此,铁中的铜沉淀物既可能是空位缺陷也可能是间隙缺陷的沉陷,并且在辐射条件下可以作为强的复合中心。这导致对沉淀物的混合Cu-Fe结构以及在中子辐照条件下不存在沉淀物生长的初步解释。更一般而言,空位和间隙缺陷都可能与粘结力比基质弱的沉淀物牢固结合。

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