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• W2414208562 endingPage "435006" @default.
• W2414208562 startingPage "435006" @default.
• W2414208562 abstract "Low-energy recoil events in pure Ni and the equiatomic NiCo alloy are studied using ab initio molecular dynamics simulations. We found that the threshold displacement energies are strongly dependent on orientation and weakly dependent on composition. The minimum threshold displacement energies are along the [1 1 0] direction in both pure Ni and the NiCo alloy. Compared to pure Ni, the threshold displacement energies increase slightly in the NiCo alloy due to the stronger bonds in the alloy, irrespective of the element type of the PKA. A single Ni interstitial occupying the center of a tetrahedron formed by four Ni atoms and a <1 0 0> split interstitial is produced in pure Ni by the recoils, while only the <1 0 0> split interstitial is formed in the NiCo alloy. Compared to the replacement sequences in pure Ni, anti-site defect sequences are observed in the alloy, which have high efficiency for both producing defects and transporting energy outside of the cascade core. These results provide insights into energy transfer processes occurring in equiatomic alloys under irradiation." @default.
• W2414208562 created "2016-06-24" @default.
• W2414208562 creator A5008168090 @default.
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• W2414208562 date "2015-10-06" @default.
• W2414208562 modified "2023-10-06" @default.
• W2414208562 title "<i>Ab initio</i> molecular dynamics investigations of low-energy recoil events in Ni and NiCo" @default.
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• W2414208562 doi "https://doi.org/10.1088/0953-8984/27/43/435006" @default.
• W2414208562 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26439166" @default.
• W2414208562 hasPublicationYear "2015" @default.
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