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

Luca Messina; Lorenzo Malerba; Pär Olsson; Giovanni Bonny

doi:10.1016/j.nimb.2014.12.032

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

Luca Messina, Lorenzo Malerba, Pär Olsson, Giovanni Bonny

Research output › peer-review

Abstract

Manganese 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.

Original language	English
Pages (from-to)	61-66
Journal	Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms
Volume	352
DOIs	https://doi.org/10.1016/j.nimb.2014.12.032
State	Published - Jun 2015
Event	2014 - COSIRES: Computer Simulation of Radiation Effects in Solids - COSIRES 2014, Alicante Duration: 8 Jun 2014 → 13 Jun 2014

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10.1016/j.nimb.2014.12.032License: Other

Cite this

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

abstract = "Manganese 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.",

keywords = "Kinetic Monte Carlo, RPV model alloy",

author = "Luca Messina and Lorenzo Malerba and P{\"a}r Olsson and Giovanni Bonny",

note = "Score = 10; 2014 - COSIRES : Computer Simulation of Radiation Effects in Solids ; Conference date: 08-06-2014 Through 13-06-2014",

year = "2015",

month = jun,

doi = "10.1016/j.nimb.2014.12.032",

language = "English",

volume = "352",

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journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",

publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Stability and mobility of small vacancy–solute complexes in Fe–MnNi and dilute Fe–X alloys: A kinetic Monte Carlo study

AU - Messina, Luca

AU - Malerba, Lorenzo

AU - Olsson, Pär

A2 - Bonny, Giovanni

N1 - Score = 10

PY - 2015/6

Y1 - 2015/6

N2 - Manganese 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.

AB - Manganese 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.

KW - Kinetic Monte Carlo

KW - RPV model alloy

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_140002

UR - http://knowledgecentre.sckcen.be/so2/bibref/12816

U2 - 10.1016/j.nimb.2014.12.032

DO - 10.1016/j.nimb.2014.12.032

M3 - Article

VL - 352

SP - 61

EP - 66

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

T2 - 2014 - COSIRES

Y2 - 8 June 2014 through 13 June 2014

ER -