Dislocation nucleation facilitated by atomic segregation
Abstract
Surface segregation—the enrichment of one element at the surface, relative to the bulk—is ubiquitous to multi-component materials. Using the example of a Cu–Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface di˙usion and trapping process. The resulting chemically ordered surface regions acts as an e˙ective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. As a result, these observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.
- Authors:
-
- State Univ. of New York at Binghamton, Binghamton, NY (United States)
- Univ. of Michigan, Ann Arbor, MI (United States)
- Univ. of Pittsburgh, Pittsburgh, PA (United States)
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1434777
- Report Number(s):
- BNL-203569-2018-JAAM
Journal ID: ISSN 1476-1122; TRN: US1802822
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Materials
- Additional Journal Information:
- Journal Volume: 17; Journal Issue: 1; Journal ID: ISSN 1476-1122
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Atomistic models; Metals and alloys; Structural properties; Surfaces; interfaces and thin films; Transmission electron microscopy
Citation Formats
Zou, Lianfeng, Yang, Chaoming, Lei, Yinkai, Zakharov, Dmitri, Wiezorek, Jorg M. K., Su, Dong, Yin, Qiyue, Li, Jonathan, Liu, Zhenyu, Stach, Eric A., Yang, Judith C., Qi, Liang, Wang, Guofeng, and Zhou, Guangwen. Dislocation nucleation facilitated by atomic segregation. United States: N. p., 2017.
Web. doi:10.1038/nmat5034.
Zou, Lianfeng, Yang, Chaoming, Lei, Yinkai, Zakharov, Dmitri, Wiezorek, Jorg M. K., Su, Dong, Yin, Qiyue, Li, Jonathan, Liu, Zhenyu, Stach, Eric A., Yang, Judith C., Qi, Liang, Wang, Guofeng, & Zhou, Guangwen. Dislocation nucleation facilitated by atomic segregation. United States. https://doi.org/10.1038/nmat5034
Zou, Lianfeng, Yang, Chaoming, Lei, Yinkai, Zakharov, Dmitri, Wiezorek, Jorg M. K., Su, Dong, Yin, Qiyue, Li, Jonathan, Liu, Zhenyu, Stach, Eric A., Yang, Judith C., Qi, Liang, Wang, Guofeng, and Zhou, Guangwen. Mon .
"Dislocation nucleation facilitated by atomic segregation". United States. https://doi.org/10.1038/nmat5034. https://www.osti.gov/servlets/purl/1434777.
@article{osti_1434777,
title = {Dislocation nucleation facilitated by atomic segregation},
author = {Zou, Lianfeng and Yang, Chaoming and Lei, Yinkai and Zakharov, Dmitri and Wiezorek, Jorg M. K. and Su, Dong and Yin, Qiyue and Li, Jonathan and Liu, Zhenyu and Stach, Eric A. and Yang, Judith C. and Qi, Liang and Wang, Guofeng and Zhou, Guangwen},
abstractNote = {Surface segregation—the enrichment of one element at the surface, relative to the bulk—is ubiquitous to multi-component materials. Using the example of a Cu–Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface di˙usion and trapping process. The resulting chemically ordered surface regions acts as an e˙ective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. As a result, these observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.},
doi = {10.1038/nmat5034},
journal = {Nature Materials},
number = 1,
volume = 17,
place = {United States},
year = {Mon Nov 27 00:00:00 EST 2017},
month = {Mon Nov 27 00:00:00 EST 2017}
}
Web of Science
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
Physical and chemical properties of bimetallic surfaces
journal, January 1996
- Rodriguez, José A.
- Surface Science Reports, Vol. 24, Issue 7-8, p. 223-287
<110> {110} Slip in copper slightly deformed at room temperature
journal, November 1980
- Pichaud, B.; Minari, F.
- Scripta Metallurgica, Vol. 14, Issue 11
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Direct imaging of surface cusp evolution during strained-layer epitaxy and implications for strain relaxation
journal, September 1993
- Jesson, D. E.; Pennycook, S. J.; Baribeau, J. -M.
- Physical Review Letters, Vol. 71, Issue 11
Defects in epitaxial multilayers: I. Misfit dislocations
journal, December 1974
- Matthews, J. W.; Blakeslee, A. E.
- Journal of Crystal Growth, Vol. 27, p. 118-125
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
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
The Au−Cu (Gold-Copper) system
journal, October 1987
- Okamoto, H.; Chakrabarti, D. J.; Laughlin, D. E.
- Journal of Phase Equilibria, Vol. 8, Issue 5
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Stress relaxation and misfit dislocation nucleation in the growth of misfitting films: A molecular dynamics simulation study
journal, January 1998
- Dong, Liang; Schnitker, Jurgen; Smith, Richard W.
- Journal of Applied Physics, Vol. 83, Issue 1
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
Defects in epitaxial multilayers
journal, February 1976
- Matthews, J. W.; Blakeslee, A. E.
- Journal of Crystal Growth, Vol. 32, Issue 2
Crack-Like Sources of Dislocation Nucleation and Multiplication in Thin Films
journal, May 1995
- Jesson, D. E.; Chen, K. M.; Pennycook, S. J.
- Science, Vol. 268, Issue 5214
Defects in epitaxial multilayers: II. Dislocation pile-ups, threading dislocations, slip lines and cracks
journal, July 1975
- Matthews, J. W.; Blakeslee, A. E.
- Journal of Crystal Growth, Vol. 29, Issue 3, p. 273-280
Cracklike surface instabilities in stressed solids
journal, September 1993
- Yang, W. H.; Srolovitz, D. J.
- Physical Review Letters, Vol. 71, Issue 10
Inhomogeneous Electron Gas
journal, March 1973
- Rajagopal, A. K.; Callaway, J.
- Physical Review B, Vol. 7, Issue 5
Surface Roughening of Heteroepitaxial thin Films
journal, August 1999
- Gao, Huajian; Nix, William D.
- Annual Review of Materials Science, Vol. 29, Issue 1
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations
journal, May 2001
- Mishin, Y.; Mehl, M. J.; Papaconstantopoulos, D. A.
- Physical Review B, Vol. 63, Issue 22
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Kinetic Pathways to Strain Relaxation in the Si-Ge System
journal, April 1996
- Jesson, D. E.; Chen, K. M.; Pennycook, S. J.
- MRS Bulletin, Vol. 21, Issue 4
Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu
journal, April 2008
- Mendelev, M. I.; Kramer, M. J.; Becker, C. A.
- Philosophical Magazine, Vol. 88, Issue 12
Selection of the glide systems activated at low stresses in copper
journal, September 1981
- Pichaud, B.; Burle, M.; Minari, F.
- Philosophical Magazine A, Vol. 44, Issue 3
Modified embedded-atom potentials for cubic materials and impurities
journal, August 1992
- Baskes, M. I.
- Physical Review B, Vol. 46, Issue 5
Cu-Au, Ag-Au, Cu-Ag, and Ni-Au intermetallics: First-principles study of temperature-composition phase diagrams and structures
journal, March 1998
- Ozoliņš, V.; Wolverton, C.; Zunger, Alex
- Physical Review B, Vol. 57, Issue 11
Second nearest-neighbor modified embedded-atom-method potential
journal, October 2000
- Lee, Byeong-Joo; Baskes, M. I.
- Physical Review B, Vol. 62, Issue 13
Enhancement of dislocation velocities by stress-assisted kink nucleation at the native oxide/SiGe interface
journal, July 2001
- Stach, E. A.; Hull, R.
- Applied Physics Letters, Vol. 79, Issue 3
Modeling surface segregation phenomena in the (111) surface of ordered Pt3Ti crystal
journal, September 2010
- Duan, Zhiyao; Zhong, Jun; Wang, Guofeng
- The Journal of Chemical Physics, Vol. 133, Issue 11
Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts
journal, April 2010
- Strasser, Peter; Koh, Shirlaine; Anniyev, Toyli
- Nature Chemistry, Vol. 2, Issue 6
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Works referencing / citing this record:
Octahedral gold-silver nanoframes with rich crystalline defects for efficient methanol oxidation manifesting a CO-promoting effect
journal, August 2019
- Xiong, Likun; Sun, Zhongti; Zhang, Xiang
- Nature Communications, Vol. 10, Issue 1
Direct imaging of short-range order and its impact on deformation in Ti-6Al
journal, December 2019
- Zhang, Ruopeng; Zhao, Shiteng; Ophus, Colin
- Science Advances, Vol. 5, Issue 12
Direct imaging of short-range order and its impact on deformation in Ti-6Al
journal, December 2019
- Zhang, Ruopeng; Zhao, Shiteng; Ophus, Colin
- Science Advances, Vol. 5, Issue 12
Surface-reaction induced structural oscillations in the subsurface
journal, January 2020
- Sun, Xianhu; Zhu, Wenhui; Wu, Dongxiang
- Nature Communications, Vol. 11, Issue 1
Nanoscale precipitates as sustainable dislocation sources for enhanced ductility and high strength
journal, February 2020
- Peng, Shenyou; Wei, Yujie; Gao, Huajian
- Proceedings of the National Academy of Sciences, Vol. 117, Issue 10
Tuning the surface composition of Cu 3 Au binary alloy
journal, January 2020
- Li, Chaoran; Liu, Qianqian; Boscoboinik, Jorge Anibal
- Physical Chemistry Chemical Physics, Vol. 22, Issue 6
Interface-mediated Kirkendall effect and nanoscale void migration in bimetallic nanoparticles during interdiffusion
journal, June 2019
- Chee, See Wee; Wong, Zicong Marvin; Baraissov, Zhaslan
- Nature Communications, Vol. 10, Issue 1
Octahedral gold-silver nanoframes with rich crystalline defects for efficient methanol oxidation manifesting a CO-promoting effect
journal, August 2019
- Xiong, Likun; Sun, Zhongti; Zhang, Xiang
- Nature Communications, Vol. 10, Issue 1
Atomic‐Scale Mechanism of Unidirectional Oxide Growth
journal, November 2019
- Sun, Xianhu; Zhu, Wenhui; Wu, Dongxiang
- Advanced Functional Materials, Vol. 30, Issue 4
Latest Developments in Modeling and Characterization of Joining Metal Based Hybrid Materials
journal, May 2018
- Khoddam, Shahin; Tian, Liang; Sapanathan, Thaneshan
- Advanced Engineering Materials, Vol. 20, Issue 9
Visualizing H 2 O molecules reacting at TiO 2 active sites with transmission electron microscopy
journal, January 2020
- Yuan, Wentao; Zhu, Beien; Li, Xiao-Yan
- Science, Vol. 367, Issue 6476
Surface-reaction induced structural oscillations in the subsurface
journal, January 2020
- Sun, Xianhu; Zhu, Wenhui; Wu, Dongxiang
- Nature Communications, Vol. 11, Issue 1