SUMMARY

Atomistic study of nuclear reactor core materials was conducted, which includes metallic alloy fuel and cladding. The metallic alloy fuel investigated is the uranium-zirconium alloy. The atomistic frame work is used to mimic the systems thermodynamics and structure, which is used to examine atomic ordering leading to observed micro-structures. In addition, a sensitivity analysis of the thermal properties of the interatomic potential is performed to interrogate the potential used. In order to examine the cladding, atomistic simulations were conducted on α-iron, the base of many stainless steel and alloy fuel claddings. Irradiation damage and threshold displacement energy analyses are conducted on α-iron as well as void stability.