Ángel Alberto Izquierdo-Sánchez
Hydrogen embrittlement in high-strength pipeline steels.
Email: a.izquierdo2@ncl.ac.uk
Project title
Multiscale modelling of hydrogen embrittlement in high-strength pipeline steels
Supervisors
Project description
We are elucidating the mechanisms of hydrogen (HE) in high-strength pipeline steels.
Atomistic simulations (Molecular Dynamics) model materials at the atomic level. We simulate the motion of the atoms using Newton's equation (F =ma). Ab initio simulations are based on quantum chemistry. Ab initio means from first principles; the only inputs are physical constants. Both can provide valuable insights in validating mechanisms of HE in body-centred cubic (bcc) Fe. These include:
- hydrogen-enhanced decobesion (HEDE)
- hydrogen-enhanœd localised plasticity (HELP)
- adsorption-induced dislocation emission (AIDE)
The development of accurate interatomic potentials allow atomistic simulations. These allow us to study the influence of hydrogen in the mechanical behaviour of metals.
This project will test proposed HE mechanisms in ideal scenarios. It will provide insights on the atomistic nature of hydrogen-ferrite and hydrogen-pearlite interactions.
The research will provide evidence on the feasibility of proposed mechanisms. It will also provide details of the conditions in which each is activated.
Interests
Atomistic materials modelling, molecular dynamics, Density Functional Theory (DFT), hydrogen embrittlement
Qualifications
- MSc in Pipeline Engineering, Newcastle university
- BEng in Chemical Engineering, Technological Institute of Villahermosa, Mexico