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 · Thu Mar 08 00:00:00 EST 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.

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

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1435539

Alternate ID(s):: OSTI ID: 1424815

Report Number(s):: LA-UR-18-21546; PRLTAO; TRN: US1900069

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

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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