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Multiscale Modeling of Irradiation Induced Hardening in Iron Alloys

Published online by Cambridge University Press:  13 August 2012

Ioannis N. Mastorakos ,
Hussein M. Zbib ,
Dongsheng Li ,
Mohamed A. Khaleel  and
Xin Sun
Ioannis N. Mastorakos
Affiliation:
School of Mechanical Engineering and Materials Science, Washington State University, Pullman, Washington, U.S.A.
Hussein M. Zbib
Affiliation:
School of Mechanical Engineering and Materials Science, Washington State University, Pullman, Washington, U.S.A. Pacific Northwest National Laboratory, Rischland, Washington, U.S.A.
Dongsheng Li
Affiliation:
Pacific Northwest National Laboratory, Rischland, Washington, U.S.A.
Mohamed A. Khaleel
Affiliation:
Pacific Northwest National Laboratory, Rischland, Washington, U.S.A.
Xin Sun
Affiliation:
Pacific Northwest National Laboratory, Rischland, Washington, U.S.A.
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Abstract

Structural materials in the new Generation IV reactors will operate in harsh radiation conditions coupled with high levels of hydrogen and helium production and will experience severe degradation of mechanical properties. Therefore, understanding of the physical mechanisms responsible for the microstructural evolution and corresponding mechanical property changes is critical. As the involved phenomena are very complex and span in several length scales, a multiscale approach is necessary in order to fully understand the degradation of materials in irradiated environments. In previous work, we used molecular dynamics simulations to develop critical rules for the mobility of dislocations in various iron alloys and their interaction with several types of defects that include, among others, helium bubbles and grain boundaries. In this work, Dislocation Dynamics simulations of iron alloys are used to study the mechanical behavior and the degradation under irradiation of large systems with high dislocation and defect densities.

Keywords

simulationFemicrostructure
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1444: Symposium S/Y – Actinides and Nuclear Energy Materials , 2012 , mrss12-1444-s11-03
Copyright
Copyright © Materials Research Society 2012

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References

REFERENCES

1. Plimpton, S. J., “Fast Parallel Algorithms for Short-Range Molecular Dynamics,” J. Comp. Phys. 117, 1–19 (1995).Google Scholar
2. Daw, M. and Baskes, M., “Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals,” Physical Review B 29, 6443–6453 (1983).Google Scholar
3. Mendelev, M. I., Han, S., Srolovitz, D. J., Ackland, G. J., Sun, D. Y., and Asta, M., “Development of new interatomic potentials appropriate for crystalline and liquid iron,” Phil Mag. 83, 3977–3994 (2003).Google Scholar
4. Bonny, G., Pasianot, R. C., Castin, N., and Malerba, L., “Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing,” Phil Mag. 89, 3531–3546 (2009).Google Scholar
5. Groh, S., Marin, E. B., and Horstemeyer, M. F., “Dislocation motion in magnesium: a study by molecular statics and molecular dynamics,” Modelling Simul. Mater Sci. Eng. 17, 075009 (2009).Google Scholar
6. Osetsky, Y. N. and Bacon, D. J., “An atomic-level model for studying the dynamics of edge dislocations in metals,” Modelling Simul. Mater Sci. Eng. 11, 427–446 (2003).Google Scholar
7. Zbib, H. M., de La Rubia, T. D., Rhee, M., and Hirth, J. P., “3D Dislocation Dynamics: Stress-Strain behavior and Hardening Mechanisms in FCC and BCC Metals,” J. Nuclear Materials 276, 154–165 (2000).Google Scholar
8. Hirth, J. P. and Lothe, J., Theory of Dislocations (Wiley, 1982), Vol. 2nd.Google Scholar
9. Mastorakos, I. N., Le, N., Zeine, M., Zbib, H. M., and Khaleel, M. A., “Multiscale Modeling of Irradiation Induced Hardening in a-Fe, Fe-Cr and Fe-Ni Systems,” in Mat. Res. Soc. Symp. Proc. (2010), Vol. 1264, p. 1264–BB06–05.Google Scholar
10. Rhee, M., Hirth, J. P., and Zbib, H. M., “A Superdislocation Model for the Strengthening of Metal-Matrix Composites and the Initiation and Propagation of Shear Bands,” Acta Metallurgica Et Materialia 42, 2645–2655 (1994).Google Scholar