This review explores molecular dynamics simulations for studying radiation damage in
Tritium Producing Burnable Absorber Rod (TPBAR) materials, emphasizing the role of …

In this article, molecular dynamics based simulations were carried out to study the fracture
toughness of single crystals of niobium (Nb) and zirconium (Zr). Separate set of simulations …

Vacancy, interstitial, and Frenkel pair effects on the tensile strength of α− Zr are studied by
molecular dynamics simulations. The uni-axial tensile load is along [0001] direction of the α …

In this article, molecular dynamics based simulations were performed to investigate
structure, energy and tensile behaviour of niobium (Nb) bi-crystals containing symmetric and …

The aim of this article was to study the effect of symmetrical as well as asymmetrical tilt grain
boundaries on the tensile deformation of irradiated bicrystalline zirconium. Molecular statics …

Abstract Fe–Cr–Al alloy is one of the candidate materials for reactor fuel cladding due to
excellent high-temperature oxidation resistance; however, it has significant irradiation …

The understanding of radiation-induced microstructural defects in body-centered cubic
(BCC) iron is of major interest to those using advanced steel under extreme conditions in …

Nb is considered a promising candidate as a refractory element due to its high-temperature
endurance, excellent thermal conductivity, and compatibility with liquid-metallic coolants in …

In this article, molecular dynamics based simulations were carried out to study the fracture
behaviour of bi-crystalline zirconium (Zr). Atomistic simulations were performed to study the …

In this article, molecular-dynamics-based simulations were used to study the effect of grain
boundaries (GBs) on the formation and spatial distribution of radiation-induced point defects …