Damage accumulation in pure iron and high concentrated Fe-12.5 at% Cr alloy: comparison between object kinetic Monte Carlo and cluster dynamics

被引：4

作者：

Gokhman, A. ^{[1
]}

Caturla, M. ^{[2
]}

Bergner, F. ^{[3
]}

机构：

[1] South Ukrainian Natl Pedag Univ, Dept Phys, UA-65020 Odessa, Ukraine

[2] Univ Alicante, Dept Fis Aplicada, E-03690 Alicante, Spain

[3] Helmholtz Zentrum Dresden Rossendorf, Inst Ion Beam Phys & Mat Res, Dept Struct Mat, D-01314 Dresden, Germany

来源：

RADIATION EFFECTS AND DEFECTS IN SOLIDS | 2014年 / 169卷 / 03期

关键词：

Fe-Cr alloy; pure iron; irradiation; object kinetic Monte Carlo; cluster dynamics; IRRADIATION-INDUCED DEFECTS; NEUTRON-IRRADIATION;

D O I：

10.1080/10420150.2013.849251

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

A comparison between object kinetic Monte Carlo (OKMC) and cluster dynamics (CD) simulations of damage accumulation has been made in the domain of low (77-150K) temperatures for electron-irradiated and then annealed pure iron as well as at 573K temperature for neutron-irradiated high concentrated Fe-12.5 at% Cr alloy. Findings indicate that an increase in the size of the simulation box up to 300nmx300nmx300nm in OKMC simulation and direct integration of master equation of CD provide the quantitative agreement results of these methods among themselves as well as with the experimental data of microstructure evolution of Fe-12.5 at% Cr alloy and qualitative agreement for the case of pure iron electron irradiated at 77K and then annealed at temperatures between 77 and 150K.

引用

页码：185 / 193

页数：9

共 6 条

[1] Precipitate growth in concentrated binary alloys: a comparison between kinetic Monte Carlo simulations, cluster dynamics and the classical theory
Lepinoux, J.
Sigli, C.
PHILOSOPHICAL MAGAZINE, 2013, 93 (23) : 3194 - 3215
[2] Kinetic study of phase transformation in a highly concentrated Fe-Cr alloy: Monte Carlo simulation versus experiments
Pareige, C.
Roussel, M.
Novy, S.
Kuksenko, V.
Olsson, P.
Domain, C.
Pareige, P.
ACTA MATERIALIA, 2011, 59 (06) : 2404 - 2411
[3] Cluster dynamics study of damage accumulation in helium-implanted Fe-2.5at%Cr alloy
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Pecko, Stanislav
Slugen, Vladimir
RADIATION EFFECTS AND DEFECTS IN SOLIDS, 2015, 170 (02): : 130 - 137
[4] Influence of free surfaces on microstructure evolution of radiation damage in Fe from molecular dynamics and object kinetic Monte Carlo calculations
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Dopico, Ignacio
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Caturla, Maria J.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2016, 213 (11): : 2969 - 2973
[5] Object Kinetic Monte Carlo calculations of irradiated Fe-Cr dilute alloys: The effect of the interaction radius between substitutional Cr and self-interstitial Fe
Gamez, L.
Gamez, B.
Caturla, M. J.
Terentyev, D.
Perlado, J. M.
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2011, 269 (14): : 1684 - 1688
[6] Precipitation in Al-Zr-Sc alloys: a comparison between kinetic Monte Carlo, cluster dynamics and classical nucleation theory
Clouet, Emmanuel
Nastar, Maylise
Barbu, Alain
Sigli, Christophe
Martin, Georges
SOLID-SOLID PHASE TRANSFORMATIONS IN INORGANIC MATERIAL 2005, VOL 2, 2005, : 683 - 703

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