Junting Zhang

• PhD student - Imperial College London 

• Project title: Atomic-scale modelling of defect-solute interactions in zirconium alloys.

Junting Zhang completed an MEng in materials science and engineering at Imperial College London. He is currently working on a PhD project studying the interaction between the dislocations introduced by neutron irradiation and solute atoms in Zr alloys using the mixed hybrid quantum/classic simulation (QMMM) method. 

Corrosion of Zr alloys is governed by the solute additions such as Nb, Sn, Ni, Fe, and Cr. Therefore, the distribution of these solutes is important for controlling corrosion. During neutron irradiation, the Zr alloy is hardened due to the formation of interstitials and vacancies that collapse into dislocation loops. Therefore, it is useful to investigate how neutron irradiation affects the properties and microstructures of Zr alloys and how the materials can be improved. Junting’s project aims to use the mixed hybrid quantum/classic simulations (QM/MM method) to investigate how these solute atoms interact with defects such as dislocations in Zr alloys. The major tools required for this project are density functional theory (DFT) and empirical potentials.