Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys

Martinez, Enrique Saez; Senninger, Oriane; Caro, Alfredo; Soisson, Frederic; Nastar, Maylise; Uberuaga, Blas P.

doi:10.1103/PhysRevLett.120.106101

Title: Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys

Journal Article · 07 March 2018 · Physical Review Letters

DOI: https://doi.org/10.1103/PhysRevLett.120.106101 · OSTI ID:1435539

^[1]; Senninger, Oriane ^[2]; Caro, Alfredo ^[1]; Soisson, Frederic ^[2]; Nastar, Maylise ^[2];

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. Paris-Saclay, Gif-sur-Yvette (France)

Nonequilibrium chemical redistribution in open systems submitted to external forces, such as particle irradiation, leads to changes in the structural properties of the material, potentially driving the system to failure. Such redistribution is controlled by the complex interplay between the production of point defects, atomic transport rates, and the sink character of the microstructure. In this work, we analyze this interplay by means of a kinetic Monte Carlo (KMC) framework with an underlying atomistic model for the Fe-Cr model alloy to study the effect of ideal defect sinks on Cr concentration profiles, with a particular focus on the role of interface density. We observe that the amount of segregation decreases linearly with decreasing interface spacing. Within the framework of the thermodynamics of irreversible processes, a general analytical model is derived and assessed against the KMC simulations to elucidate the structure-property relationship of this system. Interestingly, in the kinetic regime where elimination of point defects at sinks is dominant over bulk recombination, the solute segregation does not directly depend on the dose rate but only on the density of sinks. Furthermore, this model provides new insight into the design of microstructures that mitigate chemical redistribution and improve radiation tolerance.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: LDRD; USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1435539

Alternate ID(s):: OSTI ID: 1424815; OSTI ID: 23044020

Report Number(s):: LA-UR--18-21546

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 10 Vol. 120; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (24)

Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging Martinez, E.; Fu, C. -C.; Levesque, M. arXiv https://doi.org/10.48550/arxiv.1102.1091	text	January 2011
Materials challenges in nuclear energy Zinkle, S. J.; Was, G. S. Acta Materialia, Vol. 61, Issue 3 https://doi.org/10.1016/j.actamat.2012.11.004	journal	February 2013
Comparison of radiation-induced segregation in ultrafine-grained and conventional 316 austenitic stainless steels Etienne, A.; Radiguet, B.; Cunningham, N. J. Ultramicroscopy, Vol. 111, Issue 6 https://doi.org/10.1016/j.ultramic.2010.12.026	journal	May 2011
Atomistic modeling of phase transformations: Point-defect concentrations and the time-scale problem Nastar, M.; Soisson, F. Physical Review B, Vol. 86, Issue 22 https://doi.org/10.1103/PhysRevB.86.220102	journal	December 2012
A new algorithm for Monte Carlo simulation of Ising spin systems Bortz, A. B.; Kalos, M. H.; Lebowitz, J. L. Journal of Computational Physics, Vol. 17, Issue 1 https://doi.org/10.1016/0021-9991(75)90060-1	journal	January 1975
A general method for numerically simulating the stochastic time evolution of coupled chemical reactions Gillespie, Daniel T. Journal of Computational Physics, Vol. 22, Issue 4 https://doi.org/10.1016/0021-9991(76)90041-3	journal	December 1976
Effect of grain boundary orientation on radiation-induced segregation in a Fe–15.2at.% Cr alloy Hu, Rong; Smith, George D. W.; Marquis, Emmanuelle A. Acta Materialia, Vol. 61, Issue 9 https://doi.org/10.1016/j.actamat.2013.02.043	journal	May 2013
A theory of radiation-induced segregation in concentrated alloys Wiedersich, H.; Okamoto, P. R.; Lam, N. Q. Journal of Nuclear Materials, Vol. 83, Issue 1 https://doi.org/10.1016/0022-3115(79)90596-8	journal	August 1979
Simulations of Decomposition Kinetics of Fe-Cr Solid Solutions during Thermal Aging Martinez, Enrique; Fu, Chu Chun; Levesque, Maximilien Solid State Phenomena, Vol. 172-174 https://doi.org/10.4028/www.scientific.net/SSP.172-174.1016	journal	June 2011
Defect-interface interactions Beyerlein, I. J.; Demkowicz, M. J.; Misra, A. Progress in Materials Science, Vol. 74 https://doi.org/10.1016/j.pmatsci.2015.02.001	journal	October 2015
Exact stochastic simulation of coupled chemical reactions Gillespie, Daniel T. The Journal of Physical Chemistry, Vol. 81, Issue 25 https://doi.org/10.1021/j100540a008	journal	December 1977
Radiation damage tolerant nanomaterials Beyerlein, I. J.; Caro, A.; Demkowicz, M. J. Materials Today, Vol. 16, Issue 11 https://doi.org/10.1016/j.mattod.2013.10.019	journal	November 2013
Application of the inverse Kirkendall model of radiation-induced segregation to ferritic–martensitic alloys Wharry, Janelle P.; Jiao, Zhijie; Was, Gary S. Journal of Nuclear Materials, Vol. 425, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2011.10.035	journal	June 2012
Superior radiation-resistant nanoengineered austenitic 304L stainless steel for applications in extreme radiation environments Sun, C.; Zheng, S.; Wei, C. C. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep07801	journal	January 2015
Reciprocal Relations in Irreversible Processes. I. Onsager, Lars Physical Review, Vol. 37, Issue 4 https://doi.org/10.1103/PhysRev.37.405	journal	February 1931
On the estimation of sink-absorption terms in reaction-rate-theory analysis of radiation damage Nichols, F. A. Journal of Nuclear Materials, Vol. 75, Issue 1 https://doi.org/10.1016/0022-3115(78)90026-0	journal	July 1978
A systematic study of radiation-induced segregation in ferritic–martensitic alloys Wharry, Janelle P.; Was, Gary S. Journal of Nuclear Materials, Vol. 442, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.07.071	journal	November 2013
Modeling radiation induced segregation in iron–chromium alloys Senninger, Oriane; Soisson, Frédéric; Martínez, Enrique Acta Materialia, Vol. 103 https://doi.org/10.1016/j.actamat.2015.09.058	journal	January 2016
Interaction of small mobile stacking fault tetrahedra with free surfaces, dislocations, and interfaces in Cu and Cu-Nb Martínez, Enrique; Uberuaga, Blas P.; Beyerlein, Irene J. Physical Review B, Vol. 93, Issue 5 https://doi.org/10.1103/PhysRevB.93.054105	journal	February 2016
Decomposition kinetics of Fe-Cr solid solutions during thermal aging Martínez, Enrique; Senninger, Oriane; Fu, Chu-Chun Physical Review B, Vol. 86, Issue 22 https://doi.org/10.1103/PhysRevB.86.224109	journal	December 2012
Design of Radiation Tolerant Materials Via Interface Engineering Han, Weizhong; Demkowicz, Michael J.; Mara, Nathan A. Advanced Materials, Vol. 25, Issue 48 https://doi.org/10.1002/adma.201303400	journal	September 2013
Atomistic simulations of the decomposition kinetics in Fe–Cr alloys: Influence of magnetism Senninger, Oriane; Martínez, Enrique; Soisson, Frédéric Acta Materialia, Vol. 73 https://doi.org/10.1016/j.actamat.2014.03.019	journal	July 2014
Stress Corrosion Cracking Behavior of Alloys in Aggressive Nuclear Reactor Core Environments Was, G. S.; Andresen, P. L. CORROSION, Vol. 63, Issue 1 https://doi.org/10.5006/1.3278331	journal	January 2007
On grain-size-dependent void swelling in pure copper irradiated with fission neutrons Singh, B. N.; Eldrup, M.; Zinkle, S. J. Philosophical Magazine A, Vol. 82, Issue 6 https://doi.org/10.1080/01418610208240021	journal	April 2002

Cited By (1)

α′ formation kinetics and radiation induced segregation in neutron irradiated 14YWT nanostructured ferritic alloys Aydogan, E.; Martinez, E.; March, K. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-44508-5	journal	June 2019

Similar Records

Critical Issues on Materials for Gen-IV Reactors

Technical Report · 2009 · OSTI ID:950635

Caro, M; Marian, J; Martinez, E; +1 more

Phase-field modeling of radiation-induced segregation for multicomponent alloys

Conference · 2022 · OSTI ID:2405092

Kadambi, Sourabh Bhagwan; Schwen, Daniel; He, Lingfeng; +1 more

Bombardment-induced segregation and redistribution

Conference · 1986 · OSTI ID:5462606

Lam, N Q; Wiedersich, H

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Segregation
Diffusion
Irradiation

Title: Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys

Citation Formats

References (24)

Cited By (1)

Similar Records

Related Subjects