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Molecular dynamic simulation of cascade overlap and amorphization in 3C-SiC

机译:3C-SIC中级联重叠和杂志的分子动态模拟

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Molecular dynamics (MD) simulations have been employed to study cascade overlap and defect accumulation processes during amorphization in 3C-SiC. A large number of 10 keV displacement cascades were randomly generated in a model crystal to achieve the amorphous state, and the corresponding dose is consistent with experimental observations. The results show that most defects are single interstitials and mono-vacancies at low dose, whereas the amorphous or disordered clusters, which consist of interstitials and antisite defects, appear at intermediate dose levels. These local disordered regions play an important role in the amorphization of SiC. At higher doses, a significant proportion of antisite defects is created during continued cascade overlap. The increase in interstitials and antisite defects with increasing dose suggests that the primary driving force for the crystalline-to-amorphous transition under these ion irradiation conditions in SiC is due to the accumulation of both Frenkel pairs and antisite defects.
机译:已经采用分子动力学(MD)模拟来研究在3C-SiC中的非晶化期间研究级联重叠和缺陷累积过程。在模型晶体中随机产生大量10 keV位移级联以实现非晶态,相应的剂量与实验观察一致。结果表明,大多数缺陷是单层间隙和低剂量的单障碍,而无定形或无序的簇,由间质性和反筋缺陷组成,以中间剂量水平出现。这些局部无序地区在SIC的杂志中发挥着重要作用。在较高剂量的情况下,在持续的级联重叠期间产生大量的抗烧伤缺陷。随着剂量增加的间质缺陷的增加表明,在SiC中,在这些离子照射条件下结晶到无定形转变的初级驱动力是由于弗雷克尔对和防腐缺陷的积累。

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