Formation and self-organization of void superlattices under irradiation: A phase field study
Abstract
Self-organized patterns, realized in non-equilibrium processes, have been widely observed in physics and chemistry. As a powerful tool to create far-from-equilibrium environments, irradiation produces a variety of types of defects, which can self-organize through physical interactions and chemical reactions. Such a process becomes complicated especially when both thermodynamics and kinetics play critical roles in pattern formation. Here, we explore the formation and self-organization mechanism of void superlattices in metals and alloys under irradiation through phase field modeling and simulations. For the first time, three different formation mechanisms of void superlattices are clearly distinguished according to their thermodynamic origin and reaction kinetics. It is discovered that the characteristic length and symmetry of an emerging superlattice is determined by the interplay of the thermodynamic driving force and the kinetic anisotropy of the system. Through parametric study, the effects of kinetic coefficients, such as atomic mobility and irradiation dose rate, on the nucleation, growth, coarsening, coalescence, and ordering of voids are systematically investigated. The theoretical model developed in this work may provide guidelines for designing desired self-organized microstructures under irradiation.
- Publication Date:
- Research Org.:
- Idaho National Lab. (INL), Idaho Falls, ID (United States)
- Sponsoring Org.:
- USDOE Office of Nuclear Energy (NE); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1564270
- Alternate Identifier(s):
- OSTI ID: 1704024
- Report Number(s):
- INL/JOU-17-43207-Rev000
Journal ID: ISSN 2589-1529; TRN: US2000900
- Grant/Contract Number:
- AC07-05ID14517
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Materialia
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: C; Journal ID: ISSN 2589-1529
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; irradiation induced void superlattice
Citation Formats
Gao, Yipeng, Zhang, Yongfeng, Schwen, Daniel, Jiang, Chao, Sun, Cheng, and Gan, Jian. Formation and self-organization of void superlattices under irradiation: A phase field study. United States: N. p., 2018.
Web. doi:10.1016/j.mtla.2018.04.003.
Gao, Yipeng, Zhang, Yongfeng, Schwen, Daniel, Jiang, Chao, Sun, Cheng, & Gan, Jian. Formation and self-organization of void superlattices under irradiation: A phase field study. United States. https://doi.org/10.1016/j.mtla.2018.04.003
Gao, Yipeng, Zhang, Yongfeng, Schwen, Daniel, Jiang, Chao, Sun, Cheng, and Gan, Jian. Wed .
"Formation and self-organization of void superlattices under irradiation: A phase field study". United States. https://doi.org/10.1016/j.mtla.2018.04.003. https://www.osti.gov/servlets/purl/1564270.
@article{osti_1564270,
title = {Formation and self-organization of void superlattices under irradiation: A phase field study},
author = {Gao, Yipeng and Zhang, Yongfeng and Schwen, Daniel and Jiang, Chao and Sun, Cheng and Gan, Jian},
abstractNote = {Self-organized patterns, realized in non-equilibrium processes, have been widely observed in physics and chemistry. As a powerful tool to create far-from-equilibrium environments, irradiation produces a variety of types of defects, which can self-organize through physical interactions and chemical reactions. Such a process becomes complicated especially when both thermodynamics and kinetics play critical roles in pattern formation. Here, we explore the formation and self-organization mechanism of void superlattices in metals and alloys under irradiation through phase field modeling and simulations. For the first time, three different formation mechanisms of void superlattices are clearly distinguished according to their thermodynamic origin and reaction kinetics. It is discovered that the characteristic length and symmetry of an emerging superlattice is determined by the interplay of the thermodynamic driving force and the kinetic anisotropy of the system. Through parametric study, the effects of kinetic coefficients, such as atomic mobility and irradiation dose rate, on the nucleation, growth, coarsening, coalescence, and ordering of voids are systematically investigated. The theoretical model developed in this work may provide guidelines for designing desired self-organized microstructures under irradiation.},
doi = {10.1016/j.mtla.2018.04.003},
journal = {Materialia},
number = C,
volume = 1,
place = {United States},
year = {Wed May 16 00:00:00 EDT 2018},
month = {Wed May 16 00:00:00 EDT 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journalFigures / Tables:
FIG. 1: Simulation results of the formation of a square void superlattice. Dimensionless time $t$∗: (a) 836, (b) 876, (c) 948, (d) 1167, (e) 1351, (f) 2000.
All figures and tables
(14 total)
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Dicke-Model Phase Transition in the Quantum Motion of a Bose-Einstein Condensate in an Optical Cavity
journal, April 2010
- Nagy, D.; Kónya, G.; Szirmai, G.
- Physical Review Letters, Vol. 104, Issue 13
Lattice parameters, spontaneous strain and phase transitions in Pb 3 (PO 4 ) 2
journal, June 1993
- Salje, E. K. H.; Graeme-Barber, A.; Carpenter, M. A.
- Acta Crystallographica Section B Structural Science, Vol. 49, Issue 3
Self-Organization of Magnetic Nanosized Cobalt Particles
journal, February 1998
- Petit, Christophe; Taleb, Abdelhafed; Pileni, Marie-Paule
- Advanced Materials, Vol. 10, Issue 3
Pattern formation during cubic to orthorhombic martensitic transformations in shape memory alloys
journal, April 2014
- Gao, Y.; Zhou, N.; Wang, D.
- Acta Materialia, Vol. 68
Semiconductor Nanowires: From Self-Organization to Patterned Growth
journal, April 2006
- Fan, Hong Jin; Werner, Peter; Zacharias, Margit
- Small, Vol. 2, Issue 6, p. 700-717
Guided Self-Assembly of Nano-Precipitates into Mesocrystals
journal, November 2015
- Liu, H.; Gao, Y.; Xu, Z.
- Scientific Reports, Vol. 5, Issue 1
Microstructure Map for Self-Organized Phase Separation during Film Deposition
journal, August 2012
- Lu, Yong; Wang, Cuiping; Gao, Yipeng
- Physical Review Letters, Vol. 109, Issue 8
A universal symmetry criterion for the design of high performance ferroic materials
journal, April 2017
- Gao, Yipeng; Dregia, Suliman A.; Wang, Yunzhi
- Acta Materialia, Vol. 127
Generalization of the Fourier-spectral Eyre scheme for the phase-field equations: Application to self-assembly dynamics in materials
journal, March 2018
- Demange, G.; Chamaillard, M.; Zapolsky, H.
- Computational Materials Science, Vol. 144
Extended phase diagram of the three-dimensional phase field crystal model
journal, April 2010
- Jaatinen, A.; Ala-Nissila, T.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 20
Quasiparticle approach to diffusional atomic scale self-assembly of complex structures: from disorder to complex crystals and double-helix polymers
journal, January 2016
- Lavrskyi, Mykola; Zapolsky, Helena; Khachaturyan, Armen G.
- npj Computational Materials, Vol. 2, Issue 1
Atomic density function theory and modeling of microstructure evolution at the atomic scale
journal, July 2006
- Jin, Yongmei M.; Khachaturyan, Armen G.
- Journal of Applied Physics, Vol. 100, Issue 1
A phase field model for snow crystal growth in three dimensions
journal, April 2017
- Demange, Gilles; Zapolsky, Helena; Patte, Renaud
- npj Computational Materials, Vol. 3, Issue 1
Dynamics of simultaneous ordering and phase separation and effect of long-range Coulomb interactions
journal, March 1993
- Chen, L. Q.; Khachaturyan, A. G.
- Physical Review Letters, Vol. 70, Issue 10
Pattern formation outside of equilibrium
journal, July 1993
- Cross, M. C.; Hohenberg, P. C.
- Reviews of Modern Physics, Vol. 65, Issue 3
Stationary and Oscillatory Localized Patterns, and Subcritical Bifurcations
journal, March 2004
- Vanag, Vladimir K.; Epstein, Irving R.
- Physical Review Letters, Vol. 92, Issue 12
Compositional Patterning in Systems Driven by Competing Dynamics Of Different Length Scale
journal, March 2000
- Enrique, Raúl A.; Bellon, Pascal
- Physical Review Letters, Vol. 84, Issue 13
Observations of a Regular Void Array in High Purity Molybdenum irradiated with 2 MeV Nitrogen Ions
journal, February 1971
- Evans, J. H.
- Nature, Vol. 229, Issue 5284
Radiation-induced void formation and ordering in Ta-W alloys
journal, November 2017
- Ipatova, I.; Wady, P. T.; Shubeita, S. M.
- Journal of Nuclear Materials, Vol. 495
Microstructural characterization of irradiated U–7Mo/Al–5Si dispersion fuel to high fission density
journal, November 2014
- Gan, J.; Miller, B. D.; Keiser, D. D.
- Journal of Nuclear Materials, Vol. 454, Issue 1-3
Void ordering in metals during irradiation
journal, March 1982
- Krishan, K.
- Philosophical Magazine A, Vol. 45, Issue 3
Void Lattice Formation –Spinodal Decomposition of Vacancies
journal, November 1978
- Imada, Masatoshi
- Journal of the Physical Society of Japan, Vol. 45, Issue 5
Spinodal decomposition of a solid solution under irradiation and void ordering
journal, January 1994
- Veshchunov, M. S.; Matveev, L. V.
- Atomic Energy, Vol. 76, Issue 1
Dynamics of the self-assembly of nanovoids and nanobubbles in solids
journal, April 2005
- Yu, Hui-Chia; Lu, Wei
- Acta Materialia, Vol. 53, Issue 6
Kinetics of void-lattice formation in metals
journal, October 1980
- Krishan, K.
- Nature, Vol. 287, Issue 5781
Instabilité des solides cristallins sous irradiation
journal, September 1975
- Martin, Par Georges
- The Philosophical Magazine: A Journal of Theoretical Experimental and Applied Physics, Vol. 32, Issue 3
On the onset of void ordering in metals under neutron or heavy-ion irradiation
journal, May 2010
- Barashev, A. V.; Golubov, S. I.
- Philosophical Magazine, Vol. 90, Issue 13
Theory and numerical simulations of defect ordering in irradiated materials
journal, June 1996
- Walgraef, D.; Lauzeral, J.; Ghoniem, N. M.
- Physical Review B, Vol. 53, Issue 22
Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation
journal, April 2018
- Gao, Yipeng; Zhang, Yongfeng; Schwen, Daniel
- Scientific Reports, Vol. 8, Issue 1
A theory of void-lattice formation
journal, December 1985
- Woo, C. H.; Frank, W.
- Journal of Nuclear Materials, Vol. 137, Issue 1
Void and bubble lattice formation in molybdenum: A mechanism based on two-dimensional self-interstitial diffusion
journal, December 1983
- Evans, J. H.
- Journal of Nuclear Materials, Vol. 119, Issue 2-3
Kinetic Monte Carlo simulations of void lattice formation during irradiation
journal, October 2003
- Heinisch†, H. L.; Singh, B. N.
- Philosophical Magazine, Vol. 83, Issue 31-34
Phase-field modeling of void lattice formation under irradiation
journal, November 2009
- Hu, Shenyang; Henager, Charles H.
- Journal of Nuclear Materials, Vol. 394, Issue 2-3
Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation
journal, October 2016
- Hu, Shenyang; Burkes, Douglas E.; Lavender, Curt A.
- Journal of Nuclear Materials, Vol. 479
A mechanism of formation and properties of the void lattice in metals under irradiation
journal, January 1989
- Dubinko, V. I.; Tur, A. V.; Turkin, A. A.
- Journal of Nuclear Materials, Vol. 161, Issue 1
Free Energy of a Nonuniform System. I. Interfacial Free Energy
journal, February 1958
- Cahn, John W.; Hilliard, John E.
- The Journal of Chemical Physics, Vol. 28, Issue 2
Cascade Damage Effects on the Swelling of Irradiated Materials
journal, October 1975
- Bullough, R.; Eyre, B. L.; Krishan, K.
- Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 346, Issue 1644
Phase field modeling of void nucleation and growth in irradiated metals
journal, August 2009
- Rokkam, Srujan; El-Azab, Anter; Millett, Paul
- Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 6
Void nucleation and growth in irradiated polycrystalline metals: a phase-field model
journal, August 2009
- Millett, Paul C.; Rokkam, Srujan; El-Azab, Anter
- Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 6
Phase-field simulation of void migration in a temperature gradient
journal, May 2010
- Hu, S. Y.; Henager Jr., C. H.
- Acta Materialia, Vol. 58, Issue 9
Phase-field modeling of void migration and growth kinetics in materials under irradiation and temperature field
journal, December 2010
- Li, Yulan; Hu, Shenyang; Sun, Xin
- Journal of Nuclear Materials, Vol. 407, Issue 2
Interfacial energy in phase-field emulation of void nucleation and growth
journal, April 2011
- Semenov, A. A.; Woo, C. H.
- Journal of Nuclear Materials, Vol. 411, Issue 1-3
Phase-field simulation of irradiated metals
journal, January 2011
- Millett, Paul C.; El-Azab, Anter; Rokkam, Srujan
- Computational Materials Science, Vol. 50, Issue 3
Phase-field modeling of void formation and growth under irradiation
journal, October 2012
- Semenov, A. A.; Woo, C. H.
- Acta Materialia, Vol. 60, Issue 17
Single void dynamics in phase field modeling
journal, August 2013
- Xiao, Z. H.; Semenov, A. A.; Woo, C. H.
- Journal of Nuclear Materials, Vol. 439, Issue 1-3
Diffuse interface modeling of void growth in irradiated materials. Mathematical, thermodynamic and atomistic perspectives
journal, April 2014
- El-Azab, Anter; Ahmed, Karim; Rokkam, Srujan
- Current Opinion in Solid State and Materials Science, Vol. 18, Issue 2
Asymptotic and uncertainty analyses of a phase field model for void formation under irradiation
journal, June 2014
- Wang, Nan; Rokkam, Srujan; Hochrainer, Thomas
- Computational Materials Science, Vol. 89
Modeling void development in irradiated metals in the phase-field framework
journal, November 2014
- Semenov, A. A.; Woo, C. H.
- Journal of Nuclear Materials, Vol. 454, Issue 1-3
Rapid multiphase-field model development using a modular free energy based approach with automatic differentiation in MOOSE/MARMOT
journal, May 2017
- Schwen, D.; Aagesen, L. K.; Peterson, J. W.
- Computational Materials Science, Vol. 132
Physics-based multiscale coupling for full core nuclear reactor simulation
journal, October 2015
- Gaston, Derek R.; Permann, Cody J.; Peterson, John W.
- Annals of Nuclear Energy, Vol. 84
Jacobian-free Newton–Krylov methods: a survey of approaches and applications
journal, January 2004
- Knoll, D. A.; Keyes, D. E.
- Journal of Computational Physics, Vol. 193, Issue 2
libMesh : a C++ library for parallel adaptive mesh refinement/coarsening simulations
journal, November 2006
- Kirk, Benjamin S.; Peterson, John W.; Stogner, Roy H.
- Engineering with Computers, Vol. 22, Issue 3-4
Phase-Field Models for Microstructure Evolution
journal, August 2002
- Chen, Long-Qing
- Annual Review of Materials Research, Vol. 32, Issue 1
Self-interstitial atom defects in bcc transition metals: Group-specific trends
journal, January 2006
- Nguyen-Manh, D.; Horsfield, A. P.; Dudarev, S. L.
- Physical Review B, Vol. 73, Issue 2
The surface energy of metals
journal, August 1998
- Vitos, L.; Ruban, A. V.; Skriver, H. L.
- Surface Science, Vol. 411, Issue 1-2
Atomistic study of grain boundary sink strength under prolonged electron irradiation
journal, March 2012
- Zhang, Yongfeng; Huang, Hanchen; Millett, Paul C.
- Journal of Nuclear Materials, Vol. 422, Issue 1-3
Void ordering in ion-irradiated Nb and Nb-1% Zr
journal, September 1977
- Loomis, B. A.; Gerber, S. B.; Taylor, A.
- Journal of Nuclear Materials, Vol. 68, Issue 1
Microstructure of Cu–Ni alloys neutron irradiated at 210°C and 420°C to 14 dpa
journal, December 2000
- Zinkle, S. J.; Singh, B. N.
- Journal of Nuclear Materials, Vol. 283-287
Engineering self-organising helium bubble lattices in tungsten
journal, August 2017
- Harrison, R. W.; Greaves, G.; Hinks, J. A.
- Scientific Reports, Vol. 7, Issue 1
Works referencing / citing this record:
Vacancy and interstitial atom evolution with the separation of the nanoscale phase in Fe–Cr alloys: phase-field simulations
journal, January 2020
- Yan, Zhengwei; Shi, Shujing; Li, Yongsheng
- Physical Chemistry Chemical Physics, Vol. 22, Issue 6
Symmetry breaking during defect self-organization under irradiation
journal, May 2020
- Zhang, Yongfeng; Gao, Yipeng; Sun, Cheng
- Materials Theory, Vol. 4, Issue 1
Figures / Tables found in this record:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.