A Molecular Dynamics Study of Helium-Vacancy Clusters Production due to Cascades in α-Iron

Abstract:

Article Preview

Molecular dynamics (MD) methods are utilized to study the displacement cascades in α-Fe containing different concentrations of substitutional He atoms. Primary knock-on atom (PKA) energies, Ep, from o.5 keV to 20 keV are considered at a temperature of 100 K and 600 K, and the results are compared with those performed in pure α-Fe. There are distinct differences in the number and size of defect clusters within displacement cascades with and without substitutional helium atoms. Particularly, the number and size of helium-vacancy clusters generally increase with increasing helium concentration and PKA energy. However, the number of He-vacancy (He-V) clusters increases with increasing temperature, the mean size of He-V clusters is independent on temperature for the same He concentration and energy recoils.

Info:

Periodical:

Materials Science Forum (Volumes 561-565)

Main Theme:

Edited by:

Young Won Chang, Nack J. Kim and Chong Soo Lee

Pages:

1753-1756

Citation:

L. Yang et al., "A Molecular Dynamics Study of Helium-Vacancy Clusters Production due to Cascades in α-Iron", Materials Science Forum, Vols. 561-565, pp. 1753-1756, 2007

Online since:

October 2007

Export:

Price:

$38.00

[1] J.D. Hunn, E.H. Lee, T.S. Byun and L.K. Mansur: J. Nucl. Mater. Vol. 282 (2000), p.131.

[2] B. Constantinescu, C. Sarbu, Luiza Simionescu, Radiat. Phys. Chem. Vol. 49 (1997), p.411.

[3] K. Morishita, R. Sugano, B.D. Wirth: J. Nucl. Mater. Vol. 323 (2003), p.243.

[4] H. Trinkaus and B.N. Singh: J. Nucl. Mater. Vol. 323 (2003), p.229.

[5] L. Yang, X.T. Zu, H.Y. Xiao, F. Gao, H.L. Heinisch, R.J. Kurtz and K. Z Liu: Appl. Phys. Lett. Vol. 88 (2006) 091915.

[6] L. Yang, X.T. Zu, H.Y. Xiao, F. Gao, H.L. Heinisch, R.J. Kurtz and K. Z Liu: Mate. Sci. and Eng. A, Vol. 427 (2006), p.343.

[7] G.J. Ackland, D.J. Bacon, A.F. Calder and T. Harry: Philos. Mag. A Vol. 75 (1997), p.713.

[8] W.D. Wilson, R.D. Johnson, in: Interatomic Potentials and Simulation of Lattice Defects, edtied by P. C. Gehlen, J. R. Beeler Jr., and R. I. Jaffee, Plenum (1972), p.375.

DOI: https://doi.org/10.1007/978-1-4684-1992-4

[9] D.E. Beck: Mol. Phys. Vol. 14 (1968), p.311.

[10] W.J. Phythian, R.E. Stoller, A.J.E. Foreman, A.F. Calder and D.J. Bacon: J. Nucl. Mater. Vol. 223 (1995), p.245.

[11] X. Jia, Y. dai, M. Victoria, J. Nucl. Mater. Vol. 305 (2002), p.1.