Mechanism of Formation and Growth of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>〈</mml:mi><mml:mn>100</mml:mn><mml:mi>〉</mml:mi></mml:math>Interstitial Loops in Ferritic Materials

Marian, Jaime; Wirth, Brian D.; Perlado, J.M.

doi:10.1103/physrevlett.88.255507

Cited by 211 publications

(174 citation statements)

References 17 publications

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“…As a matter of fact, solute atoms can be transported by defects towards these nucleation sites, causing the clusters to grow in size. The effective ''pinning effect'' of solute atoms on SIA loops emerges from several studies [6][7][8], whereas the systematic arising of a vacancy drag effect in iron dilute alloys has been recently shown [9] to be a very effective means of solute transport towards defect sinks in RPV steels, and could hence confirm this mechanism. In particular, Mn is expected to have a specifically strong effect on SIA-loop mobility because of the strong interaction between Mn and crowdion, in analogy with the effect of Cr [7] and because it is known to efficiently diffuse via a dumbbell mechanism.…”

Section: Introductionmentioning

confidence: 96%

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Messina

Malerba

Olsson

2015

Nuclear Instruments and Methods in Physics Research Section B:

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a b s t r a c tManganese and nickel solute atoms in irradiated ferritic steels play a major role in the nanostructural evolution of reactor pressure vessels (RPV), as they are responsible for the formation of embrittling nanofeatures even in the absence of copper. The stability and mobility of small vacancy-solute clusters is here studied with an atomistic kinetic Monte Carlo approach based on ab initio calculations, in order to investigate the influence of Mn and Ni on the early life of small radiation-induced vacancy clusters, and to provide the necessary parameters for advanced object kinetic Monte Carlo simulations of the RPV longterm nanostructural evolution. Migration barriers are obtained by direct ab initio calculations or through a binding energy model based on ab initio data. Our results show a clear immobilizing and stabilizing effect on vacancy clusters as the solute content is increased, whereas the only evident difference between the two solute species is a somewhat longer elongation of the cluster mean free path in the presence of a few Mn atoms.

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Section: Introductionmentioning

confidence: 96%

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Messina

Malerba

Olsson

2015

Nuclear Instruments and Methods in Physics Research Section B:

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“…Marinica [3] Growth of two independent loop populations 5% <100> -95% <111> What we want to achieve:…”

Section: Model Bmentioning

confidence: 99%

“…We will describe results of damage evolution in Fe using two different models for <100> loop formation: one where <100> loops are formed from the interaction between ½ <111> loops (based on simulations by Marian [3] and Terentyev [4]) and a second one where two populations of loops are formed directly in the collision cascade and evolve independently. This last model is based on the observation of stable immobile clusters from DFT calculations [5].…”

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confidence: 99%

Microstructure Evolution in Fe and Fe-Cr Alloys with OKMC Methods

Caturla

Aliaga

Martín-Bragado

et al. 2016

EPJ Web of Conferences

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The type of damage observed under transmission electron microscopy (TEM) in b.c.c. Fe and FeCr alloys under irradiation is very dependent on the irradiation conditions. At high doses the damage consists mostly of ½ <111> and <100> loops, which are considered to be of interstitial type [1,2]. Depending on the type of irradiation and the irradiation conditions, the ratio of one type of loop with respect to the other changes, with situations in which only one of the two types of loops are observed. The formation of <100> loops is still a controversial issue, with different models arising in the last few years. Experimentally, even the nature of these loops (vacancy or interstitial type) is still under debate under certain situations. Moreover, the type of irradiation (ion implantation vs. neutron irradiation) also changes the type and distribution of these defects.In an attempt to shed some light into this complex system, we have developed models to study the damage of Fe and FeCr under irradiation. We combine results from density function theory (DFT), molecular dynamics (MD) and object kinetic Monte Carlo (OKMC) to study the production and evolution of the damage to time scales that can be directly compared to experiments. In this work we will discuss one particular issue: the differences between ion implantation and neutron irradiation. Currently, ion implantation is commonly used to obtain information about defect production and defect evolution, in an attempt to build models for neutron damage. We will point out the differences and commonalities between the two types of irradiation in the particular case of Fe, and those aspects that should be taken into consideration when building models for neutron irradiation from information obtained from ion implantation.We will describe results of damage evolution in Fe using two different models for <100> loop formation: one where <100> loops are formed from the interaction between ½ <111> loops (based on simulations by Marian [3] and Terentyev [4]) and a second one where two populations of loops are formed directly in the collision cascade and evolve independently. This last model is based on the observation of stable immobile clusters from DFT calculations [5]. The population of loops formed as a function of dose for different irradiation conditions is explored and results compared to experiments. The validity of the models and the influence of the different parameters are discussed. In particular, we will study how the mobility of <111> interstitial loops changes both the total concentration of visible defects as well as the ratio of <111> vs. <100> loops and compare the results with experimental data available, as shown in the Fig. 1. In this case the experiments are from reference [1]. This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. nd Int. Workshop Irradiation of Nuclear Materials: ...

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“…Experimental observations [34][35][36][37] and atomistic simulation studies 38,39 have been studied using MD and experiments. 42,43 In this work, we developed a phase-field model to study the stability and growth kinetics of an interstitial loop with…”

Section: Part I: Phase-field Model For Interstitial Loop Evolution Kimentioning

confidence: 99%

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

Li¹,

Hu²,

Sun³

et al. 2011

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Mechanism of Formation and Growth of〈100〉Interstitial Loops in Ferritic Materials

Cited by 211 publications

References 17 publications

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

Microstructure Evolution in Fe and Fe-Cr Alloys with OKMC Methods

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

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