Effects of two-temperature model on cascade evolution in Ni and NiFe

Journal Article · Tue Jul 05 00:00:00 EDT 2016 · Scripta Materialia

DOI:https://doi.org/10.1016/j.scriptamat.2016.06.028· OSTI ID:1261385

Samolyuk, German D. ^[1]; Xue, Haizhou ^[2]; Bei, Hongbin ^[1]; Weber, William J. ^[1]

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1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2. Univ. of Tennessee, Knoxville, TN (United States)

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.

• Research Organization: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: AC05-00OR22725
• OSTI ID: 1261385
• Journal Information: Scripta Materialia, Vol. 124; ISSN 1359-6462
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
Two-Temperature Model
Ni
NiFe
Radiation Damage
Cascades