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Atomistic modeling of radiation-induced disordering and dissolution at a Ni/Ni3Al interface

Published online by Cambridge University Press:  20 January 2015

Tongsik Lee ,
Alfredo Caro  and
Michael J. Demkowicz
Tongsik Lee*
Affiliation:
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Massachusetts 02139, USA
Alfredo Caro
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory, New Mexico 87545, USA
Michael J. Demkowicz
Affiliation:
Department of Materials Science and Engineering, Massachusetts Institute of Technology, Massachusetts 02139, USA
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

L12-ordered γ′ precipitates embedded in a fcc γ matrix impart excellent mechanical properties to nickel-base superalloys. However, these enhanced mechanical properties are lost under irradiation, which causes the γ′ precipitates to disorder and dissolve. We conduct an atomic-level study of radiation-induced disordering and dissolution at a coherent (100) facet of an initially ordered γ′ Ni3Al precipitate neighboring a pure Ni γ matrix. Using molecular dynamics, we simulate collision-induced events by sequentially introducing 10 keV primary knock-on atoms with random positions and directions. In the absence of thermally assisted recovery processes, the ordered Ni3Al layer disorders rapidly within 0.1–0.2 dpa and then gradually dissolves into the adjacent Ni layer at higher doses. Both the disordering efficiency and mixing parameter calculated from the simulations lie within the range of values found by experiments carried out at room temperature, where thermally activated diffusion is insignificant.

Keywords

nickel-base alloysordered precipitatesradiation-induced disorderingradiation-induced mixingmolecular dynamicsembedded atom method
Type
Articles
Information
Journal of Materials Research , Volume 30 , Issue 9: Focus Issue: Characterization and Modeling of Radiation Damage on Materials: State of the Art, Challenges, and Protocols , 14 May 2015 , pp. 1456 - 1463
Copyright
Copyright © Materials Research Society 2014 

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Footnotes

Contributing Editor: William J. Weber

References

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