TY - JOUR
T1 - Vacancy-solute complexes and their clusters in iron
AU - Al Mazouzi, Abderrahim
AU - Malerba, Lorenzo
N1 - Score = 10
PY - 2005/10/3
Y1 - 2005/10/3
N2 - In this contribution, several vacancy-solute complexes in iron are investigated theoretically from the viewpoint of positron
annihilation. In particular, V-Si, V-P, V-Cr, V-Mn, V-Ni, V-Cu and V-Mo complexes are examined. In addition, nano-sized
vacancy-Cu clusters in the Fe matrix are also studied.We concentrate on positron lifetimes and coincidence Doppler broadening
profiles that bring complementary information about the studied complexes and their clusters. Positron calculations are carried
out using the atomic superposition method employing realistic atomic configurations obtained recently using an ab initio
pseudopotential method (vacancy-solute complexes) and Monte Carlo/molecular dynamics methods (vacancy-Cu clusters). The
main aim of this study is to predict as to what extent such defects are detectable and differentiable using positron annihilation
techniques. The results obtained are discussed in the context of experimental data available in the literature.
# 2005 Elsevier B.V. All rights reserved.
AB - In this contribution, several vacancy-solute complexes in iron are investigated theoretically from the viewpoint of positron
annihilation. In particular, V-Si, V-P, V-Cr, V-Mn, V-Ni, V-Cu and V-Mo complexes are examined. In addition, nano-sized
vacancy-Cu clusters in the Fe matrix are also studied.We concentrate on positron lifetimes and coincidence Doppler broadening
profiles that bring complementary information about the studied complexes and their clusters. Positron calculations are carried
out using the atomic superposition method employing realistic atomic configurations obtained recently using an ab initio
pseudopotential method (vacancy-solute complexes) and Monte Carlo/molecular dynamics methods (vacancy-Cu clusters). The
main aim of this study is to predict as to what extent such defects are detectable and differentiable using positron annihilation
techniques. The results obtained are discussed in the context of experimental data available in the literature.
# 2005 Elsevier B.V. All rights reserved.
KW - Vacancy-solute complexes
KW - Vacancy-solute clusters
KW - Electron–positron momentum distribution
KW - RPV steels
KW - Atomic superposition method
UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_27169
UR - http://knowledgecentre.sckcen.be/so2/bibref/3337
M3 - Article
VL - 252
SP - 3303
EP - 3308
JO - Applied Surface Science
JF - Applied Surface Science
SN - 0169-4332
IS - 9
ER -