Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr

Zhao, Shijun; Osetsky, Yuri; Zhang, Yanwen

doi:10.1016/j.actamat.2017.01.056

Title: Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr

Journal Article · Mon Feb 13 00:00:00 EST 2017 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2017.01.056· OSTI ID:1354655

Zhao, Shijun ^[1]; Osetsky, Yuri ^[1]; Zhang, Yanwen ^[2]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering

Single-phase concentrated solid solution alloys, including high entropy alloys, exhibit remarkable mechanical properties as well as extraordinary corrosion and radiation resistance compared to pure metals and dilute alloys. However, the mechanisms responsible for these properties are unknown in many cases. In this work, we employ ab initio molecular dynamics based on density functional theory to study the diffusion of interstitial atoms in Ni and Ni-based face-centered cubic concentrated alloys including NiFe, NiCo and NiCoCr. We model the defect trajectories over 100 ps and estimate the tracer diffusion coefficients, correlation factors and activation energies. We find that the diffusion mass transport in concentrated alloys is not only slower than that in pure components, i.e. sluggish diffusion, but also chemically non-homogeneous. The results obtained here can be used to understand and predict atomic segregation and phase separation in concentrated solid solution alloys under irradiation.

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Research Organization:: Oak Ridge National Laboratory (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; AC02-05CH11231

OSTI ID:: 1354655

Alternate ID(s):: OSTI ID: 1357977; OSTI ID: 1420024

Journal Information:: Acta Materialia, Vol. 128, Issue C; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 94 works

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Irradiation responses and defect behavior of single-phase concentrated solid solution alloys Yang, Tengfei; Li, Congyi; Zinkle, Steven J. Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.285	journal	September 2018
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