Effects of two-temperature model on cascade evolution in Ni and NiFe. (November 2016)

• Record Type: Journal Article
• Authors: Zarkadoula, Eva; Samolyuk, German; Xue, Haizhou; Bei, Hongbin; Weber, William J.
• Is Part Of: Scripta materialia. Volume 124(2016)
• Page Start: 6
• Page End: 10
• Publication Date: 2016-11
• Subjects: Molecular dynamics -- Two-temperature model -- Electronic effects -- Nickel and nickel alloys -- Cascades; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2016.06.028
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher energy cascades and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni. Graphical abstract: Average surviving damage at the end of the simulation time for (a) 30 keV and (b) 50 keV Ni cascades in Ni and NiFe. Results for classical MD simulations, electronic stopping-only simulations and the 2T-MD model are shown, with the standard error over twelve events.