Shijun Zhao, Da Chen, Ji-Jung Kai. First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy[J]. 材料研究快报(英文), 2019,7(5):188-193.
Shijun Zhao, Da Chen, Ji-Jung Kai. First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy[J]. Materials Research Letters, 2019, 7(5): 188-193.
Shijun Zhao, Da Chen, Ji-Jung Kai. First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy[J]. 材料研究快报(英文), 2019,7(5):188-193.DOI: 10.1080/21663831.2019.1574926.
Shijun Zhao, Da Chen, Ji-Jung Kai. First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy[J]. Materials Research Letters, 2019, 7(5): 188-193.DOI: 10.1080/21663831.2019.1574926.
First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy
BSTRACTThe unusual mechanical and radiation properties found in concentrated solid–solution alloys (CSAs) make them promising candidate materials in nuclear applications. In this work
He behavior in a typical CSA
NiCFeCr
is assessed by first-principles calculations. Our results suggest that the energy difference of He in substitutional and interstitial sites is greatly reduced. The energy barriers of He through both interstitial and substitutional diffusion are much higher than those in pure Ni
indicating slower He dynamics in CSAs. The calculated activation energies show that the dissociation mechanism is more favorable in NiCoFeCr
which helps to suppress He growth as observed experimentally.