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

Title: Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper

Abstract

We show that chemistry can be used to trigger a nanofaceting transition. In particular, the segregation of Ag to an asymmetric tilt grain boundary in Cu is investigated. Aberration-corrected electron microscopy reveals that annealing the bicrystal results in the formation of nanometer-sized facets composed of preferentially Ag-segregated symmetric Σ5{210} segments and Ag-depleted {230}/{100} asymmetric segments. Our observations oppose an anticipated trend to form coarse facets. Atomistic simulations confirm the nanofacet formation observed in the experiment and demonstrate a concurrent grain boundary phase transition induced by the anisotropic segregation of Ag.

Authors:
 [1];  [2];  [1];  [1];  [3];  [1];  [1];  [1]
  1. Max-Planck Inst. für Eisenforschung, Dusseldorf (Germany)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1488631
Alternate Identifier(s):
OSTI ID: 1524296
Report Number(s):
LLNL-JRNL-751237
Journal ID: ISSN 0031-9007; PRLTAO; 936993
Grant/Contract Number:  
AC52-07NA27344; AC02-05CH11231; 17-LW-012
Resource Type:
Published Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 25; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Peter, Nicolas J., Frolov, Timofey, Duarte, Maria J., Hadian, Raheleh, Ophus, Colin, Kirchlechner, Christoph, Liebscher, Christian H., and Dehm, Gerhard. Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.255502.
Peter, Nicolas J., Frolov, Timofey, Duarte, Maria J., Hadian, Raheleh, Ophus, Colin, Kirchlechner, Christoph, Liebscher, Christian H., & Dehm, Gerhard. Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper. United States. doi:10.1103/PhysRevLett.121.255502.
Peter, Nicolas J., Frolov, Timofey, Duarte, Maria J., Hadian, Raheleh, Ophus, Colin, Kirchlechner, Christoph, Liebscher, Christian H., and Dehm, Gerhard. Thu . "Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper". United States. doi:10.1103/PhysRevLett.121.255502.
@article{osti_1488631,
title = {Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper},
author = {Peter, Nicolas J. and Frolov, Timofey and Duarte, Maria J. and Hadian, Raheleh and Ophus, Colin and Kirchlechner, Christoph and Liebscher, Christian H. and Dehm, Gerhard},
abstractNote = {We show that chemistry can be used to trigger a nanofaceting transition. In particular, the segregation of Ag to an asymmetric tilt grain boundary in Cu is investigated. Aberration-corrected electron microscopy reveals that annealing the bicrystal results in the formation of nanometer-sized facets composed of preferentially Ag-segregated symmetric Σ5{210} segments and Ag-depleted {230}/{100} asymmetric segments. Our observations oppose an anticipated trend to form coarse facets. Atomistic simulations confirm the nanofacet formation observed in the experiment and demonstrate a concurrent grain boundary phase transition induced by the anisotropic segregation of Ag.},
doi = {10.1103/PhysRevLett.121.255502},
journal = {Physical Review Letters},
number = 25,
volume = 121,
place = {United States},
year = {2018},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevLett.121.255502

Citation Metrics:
Cited by: 2 works
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: HAADF STEM micrographs in [001] zone axis orientation of (a) the relatively flat as-grown GB structure, (b) the relatively flat annealed GB structure and (c) the Ag segregated GB structure exhibiting distinct faceting with preferential segregation to the symmetric {210} segments. The scale is applicable to all threemore » micrographs.« less

Save / Share:

Works referenced in this record:

Segregation-induced phase transformations in grain boundaries
journal, July 2015


Complexion: A new concept for kinetic engineering in materials science
journal, October 2007


The Temperature Dependence of Abnormal Grain Growth and Grain Boundary Faceting in 316L Stainless Steel.
journal, January 2001


The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper
journal, August 2016


Diffusion and segregation of silver in copper Σ 5(310) grain boundary
journal, April 2012


Observation of a reversible grain boundary faceting transition induced by changes of composition
journal, January 1988


Diffuse interface model for structural transitions of grain boundaries
journal, January 2006


An embedded-atom potential for the Cu–Ag system
journal, May 2006

  • Williams, P. L.; Mishin, Y.; Hamilton, J. C.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 5
  • DOI: 10.1088/0965-0393/14/5/002

First-Order Interfacial Transformations with a Critical Point: Breaking the Symmetry at a Symmetric Tilt Grain Boundary
journal, February 2018


The Role of a Bilayer Interfacial Phase on Liquid Metal Embrittlement
journal, September 2011


Faceting transformation and energy of a Σ3 grain boundary in silver
journal, November 1995


A quantitative atom probe study of the Nb excess at prior austenite grain boundaries in a Nb microalloyed strip-cast steel
journal, August 2012


Aberration-Corrected Z-Contrast Scanning Transmission Electron Microscopy of CdSe Nanocrystals
journal, July 2004

  • McBride, James R.; Kippeny, Tadd C.; Pennycook, Stephen J.
  • Nano Letters, Vol. 4, Issue 7
  • DOI: 10.1021/nl049406q

Dissociation and faceting of asymmetrical tilt grain boundaries: Molecular dynamics simulations of copper
journal, October 2007


On the correlation between grain-boundary segregation, faceting and embrittlement in Bi-doped Cu
journal, May 2002


Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995


Effect of Interface Phase Transformations on Diffusion and Segregation in High-Angle Grain Boundaries
journal, June 2013


Strategies for fabricating atom probe specimens with a dual beam FIB
journal, March 2005


Solute segregation in Cu: DFT vs. Experiment
journal, April 2018


Bismuth embrittlement of copper is an atomic size effect
journal, December 2004

  • Schweinfest, Rainer; Paxton, Anthony T.; Finnis, Michael W.
  • Nature, Vol. 432, Issue 7020
  • DOI: 10.1038/nature03198

Layering transitions at grain boundaries
journal, October 2016


Step Coalescence by Collective Motion at an Incommensurate Grain Boundary
journal, March 2016


Migration mechanisms of a faceted grain boundary
journal, April 2018


Why Do Grain Boundaries Exhibit Finite Facet Lengths?
journal, June 2003


Identification of a bilayer grain boundary complexion in Bi-doped Cu
journal, January 2013


A fast image simulation algorithm for scanning transmission electron microscopy
journal, May 2017


Complex Nanotwin Substructure of an Asymmetric Σ 9 Tilt Grain Boundary in a Silicon Polycrystal
journal, December 2015


Absolute atomic-scale measurements of the Gibbsian interfacial excess of solute at internal interfaces
journal, September 1993


In situ site-specific specimen preparation for atom probe tomography
journal, February 2007


The ag-cu (silver-copper) system
journal, February 1993

  • Subramanian, P. R.; Perepezko, J. H.
  • Journal of Phase Equilibria, Vol. 14, Issue 1
  • DOI: 10.1007/BF02652162

Structural phase transformations in metallic grain boundaries
journal, May 2013

  • Frolov, Timofey; Olmsted, David L.; Asta, Mark
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2919

Beam-induced atomic migration at Ag-containing nanofacets at an asymmetric Cu grain boundary
journal, November 2016

  • Peter, Nicolas J.; Liebscher, Christian H.; Kirchlechner, Christoph
  • Journal of Materials Research, Vol. 32, Issue 5
  • DOI: 10.1557/jmr.2016.398

A streaming multi-GPU implementation of image simulation algorithms for scanning transmission electron microscopy
journal, October 2017

  • Pryor, Alan; Ophus, Colin; Miao, Jianwei
  • Advanced Structural and Chemical Imaging, Vol. 3, Issue 1
  • DOI: 10.1186/s40679-017-0048-z

Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries
journal, October 2016


Two-dimensional phase transformation in grain boundaries
journal, March 1968


Asymmetric tilt grain boundary structure and energy in copper and aluminium
journal, September 2007


Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys
journal, May 2012


Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals
journal, October 2017


Transitions and Phase Equilibria Among Grain Boundary Structures
journal, December 1982


Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe
journal, February 2017


Bismuth-induced embrittlement of copper grain boundaries
journal, August 2004

  • Duscher, Gerd; Chisholm, Matthew F.; Alber, Uwe
  • Nature Materials, Vol. 3, Issue 9
  • DOI: 10.1038/nmat1191

Origin of Solid-State Activated Sintering in Bi2O3-Doped ZnO
journal, April 1999


Grain boundary finite length faceting
journal, August 2009


Grain boundary complexions
journal, January 2014


    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.