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Direct Comparison between Modeling and Experiment: an α-Fe Ion Implantation Study

Published online by Cambridge University Press:  21 March 2011

Jaime Marian ,
Brian D. Wirth ,
J. Manuel Perlado ,
T. Diaz de la Rubia ,
Robin Schäublin ,
Dario Lodi ,
Mercedes Hernández ,
Gonzalo de Diego ,
Dolores G. Briceño  and
Roger E. Stoller
Jaime Marian
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, P. O. Box 808, L-353, Livermore, CA 94550, U.S.A.
Brian D. Wirth
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, P. O. Box 808, L-353, Livermore, CA 94550, U.S.A.
J. Manuel Perlado
Affiliation:
Instituto de Fusión Nuclear, Universidad Politécnica de Madrid, C/ José Gutiérrez Abascal, 2; Madrid 28006, SPAIN
T. Diaz de la Rubia
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, P. O. Box 808, L-353, Livermore, CA 94550, U.S.A.
Robin Schäublin
Affiliation:
CRPP, Fusion Technology-Materials, Ecole Polytechnique Fédérale de Lausanne, CK-5232, Villigen PSI, SWITZERLAND
Dario Lodi
Affiliation:
Chemistry and Materials Science Directorate, Lawrence Livermore National Laboratory, P. O. Box 808, L-353, Livermore, CA 94550, U.S.A.
Mercedes Hernández
Affiliation:
Departamento de Fisión Nuclear, CIEMAT, Avda. Complutense, 22; Madrid 28040, SPAIN
Gonzalo de Diego
Affiliation:
Departamento de Fisión Nuclear, CIEMAT, Avda. Complutense, 22; Madrid 28040, SPAIN
Roger E. Stoller
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, P. O. Box 2008, Oak Ridge, TN 37831-6376, U.S.A.
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Abstract

Advances in computational capability and modeling techniques, as well as improvements in experimental characterization methods offer the possibility of directly comparing modeling and experiment investigations of irradiation effects in metals. As part of a collaboration among the Instituto de Fusión Nuclear (DENIM), Lawrence Livermore National Laboratory (LLNL) and CIEMAT, single and polycrystalline α-Fe samples have been irradiated with 150 keV Fe- ions to doses up to several dpa. The irradiated microstructure is to be examined with both transmission electron microscopy (TEM) and positron annihilation spectroscopy (PAS). Concurrently, we have modeled the damage accumulation in Fe under these irradiation conditions using a combination of molecular dynamics (MD) and kinetic Monte Carlo (KMC). We aim to make direct comparison between the simulation results and the experiments by simulating TEM images and estimating positron lifetimes for the predicted microstructures. While the identity of the matrix defect features cannot be determined from TEM observations alone, we propose that both large self-interstitial loops, trapped at impurities within the material, and small, spherical nanovoids form.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 650: Symposium R – Microstructural Processes in Irradiated Materials-2000 , 2000 , R3.2
Copyright
Copyright © Materials Research Society 2001

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References

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