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Title: Electron-phonon coupling induced defect recovery and strain relaxation in Ni and equiatomic NiFe alloy

Journal Article · · Computational Materials Science

In this work, we study the effects of local heating due to electron-phonon coupling in cumulative 10 MeV Ni ion irradiation on pre-damaged pure Ni and equiatomic NiFe alloy. In particular, we estimate the defect recovery in NiFe compared to pure Ni due to the chemical disorder. Furthermore, the simulations are done using the two-temperature molecular dynamics approach that includes the electronic stopping and electron-phonon interactions. A total of 50% of the damage that consists of isolated point defects and small defect clusters is recovered in NiFe, whereas no noticeable recovery is observed in elemental Ni. We have also demonstrated strain relaxation associated with defect recombination based on the results from both simulation and X-ray diffraction measurements in NiFe. The damage recovery primarily depends on pre-existing damage level, defect configuration, ion energy (stopping powers) and electron-phonon coupling parameter of the materials of interest.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1649246
Alternate ID(s):
OSTI ID: 1581654
Journal Information:
Computational Materials Science, Vol. 173, Issue C; ISSN 0927-0256
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

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