Shim, Jae-Hyeok Lee, Hyon-Jee Wirth, Brian D. 2024-01-21T03:01:51Z 2024-01-21T03:01:51Z 2021-09-01 2006-06-01 0022-3115 https://pubs.kist.re.kr/handle/201004/135413 Molecular dynamics simulations of displacement cascades in Fe and Fe-10%Cr have been performed for primary knock-on energies from I to 20 keV using two different Finnis-Sinclair style interatomic potentials. The different potentials were fit to describe the extremes of positive (attractive) and negative (repulsive) binding between substitutional Cr atoms and Fe self-interstitial atoms. As expected, the effect of Cr on the collisional stage of cascade evolution and on the number of point defects and point defect clusters produced is quite minimal. However, the quantity of mixed Fe-Cr dumbbells produced is sensitive to the choice of potential. (c) 2006 Elsevier B.V. All rights reserved. English ELSEVIER DISPLACEMENT CASCADES COMPUTER-SIMULATION INTERATOMIC POTENTIALS FE IRON Molecular dynamics simulation of primary irradiation defect formation in Fe-10%Cr alloy Article 10.1016/j.jnucmat.2006.02.021 1 JOURNAL OF NUCLEAR MATERIALS, v.351, no.1-3, pp.56 - 64 JOURNAL OF NUCLEAR MATERIALS 351 1-3 56 64 scie scopus 000238620600007 2-s2.0-33746783806 Materials Science, Multidisciplinary Nuclear Science & Technology Materials Science Nuclear Science & Technology Article; Proceedings Paper DISPLACEMENT CASCADES COMPUTER-SIMULATION INTERATOMIC POTENTIALS FE IRON F0800 I0500 M0200 R0100