Open Access

ARTICLE

A Molecular Dynamics Study of Irradiation Induced Cascades in Iron Containing Hydrogen

by E. Hayward¹, C. Deo¹

1 Nuclear and Radiological Engineering Program, George W. Woodruff School of Mechanical En-gineering, Georgia Institute of Technology, Atlanta, GA, 30332, USA. erin@gatech.edu.

Computers, Materials & Continua 2010, 16(2), 101-116. https://doi.org/10.3970/cmc.2010.016.101

Abstract

Damage cascades representative of those that would be induced by neutron irradiation have been simulated in systems of pure iron and iron containing 0.01 at.% hydrogen. Results from molecular dynamics simulations using three different embedded-atom method (EAM) type potentials are compared for primary knock-on atom energies of 5, 10, and 20 keV to assess the effect of hydrogen on the primary damage state. We examine the influence of hydrogen on the primary damage state due to a single radiation cascade. These results can serve as an atomistic database for methods and simulations for long time scale evolution of radiation damage.

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