skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Segregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy

Abstract

The properties of materials change, sometimes catastrophically, as alloying elements and impurities accumulate preferentially at grain boundaries. Studies of bicrystals show that regular atomic patterns often arise as a result of this solute segregation at high-symmetry boundaries, but it is not known whether superstructures exist at general grain boundaries in polycrystals. In bismuth-doped polycrystalline nickel, we found that ordered, segregation-induced grain boundary superstructures occur at randomly selected general grain boundaries, and that these reconstructions are driven by the orientation of the terminating grain surfaces rather than by lattice matching between grains. This discovery shows that adsorbate-induced superstructures are not limited to special grain boundaries but may exist at a variety of general grain boundaries, and hence they can affect the performance of polycrystalline engineering alloys.

Authors:
ORCiD logo; ORCiD logo; ; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1439360
Grant/Contract Number:  
award298716; SC0014506
Resource Type:
Published Article
Journal Name:
Science
Additional Journal Information:
Journal Name: Science Journal Volume: 358 Journal Issue: 6359; Journal ID: ISSN 0036-8075
Publisher:
American Association for the Advancement of Science (AAAS)
Country of Publication:
United States
Language:
English

Citation Formats

Yu, Zhiyang, Cantwell, Patrick R., Gao, Qin, Yin, Denise, Zhang, Yuanyao, Zhou, Naixie, Rohrer, Gregory S., Widom, Michael, Luo, Jian, and Harmer, Martin P. Segregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy. United States: N. p., 2017. Web. doi:10.1126/science.aam8256.
Yu, Zhiyang, Cantwell, Patrick R., Gao, Qin, Yin, Denise, Zhang, Yuanyao, Zhou, Naixie, Rohrer, Gregory S., Widom, Michael, Luo, Jian, & Harmer, Martin P. Segregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy. United States. doi:10.1126/science.aam8256.
Yu, Zhiyang, Cantwell, Patrick R., Gao, Qin, Yin, Denise, Zhang, Yuanyao, Zhou, Naixie, Rohrer, Gregory S., Widom, Michael, Luo, Jian, and Harmer, Martin P. Thu . "Segregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy". United States. doi:10.1126/science.aam8256.
@article{osti_1439360,
title = {Segregation-induced ordered superstructures at general grain boundaries in a nickel-bismuth alloy},
author = {Yu, Zhiyang and Cantwell, Patrick R. and Gao, Qin and Yin, Denise and Zhang, Yuanyao and Zhou, Naixie and Rohrer, Gregory S. and Widom, Michael and Luo, Jian and Harmer, Martin P.},
abstractNote = {The properties of materials change, sometimes catastrophically, as alloying elements and impurities accumulate preferentially at grain boundaries. Studies of bicrystals show that regular atomic patterns often arise as a result of this solute segregation at high-symmetry boundaries, but it is not known whether superstructures exist at general grain boundaries in polycrystals. In bismuth-doped polycrystalline nickel, we found that ordered, segregation-induced grain boundary superstructures occur at randomly selected general grain boundaries, and that these reconstructions are driven by the orientation of the terminating grain surfaces rather than by lattice matching between grains. This discovery shows that adsorbate-induced superstructures are not limited to special grain boundaries but may exist at a variety of general grain boundaries, and hence they can affect the performance of polycrystalline engineering alloys.},
doi = {10.1126/science.aam8256},
journal = {Science},
number = 6359,
volume = 358,
place = {United States},
year = {2017},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1126/science.aam8256

Citation Metrics:
Cited by: 30 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996