This work will be focusing on the atomistic modelling of hydrogen adsorption and diffusion in metal alloys. Under certain conditions, the presence of hydrogen may lead to loss of ductility, strength and/or toughness in metals, a phenomenon called hydrogen-induced embrittlement (HIE). HIE can pose a risk to the sustainability of oil and gas structures, gearboxes and anchors of offshore wind turbines or steel architectural constructions. Although causing a serious threat for metal structures, HIE remains a complex process that is not completely understood because of the variety and complexity of mechanisms. Here, we will tackle this issue from an atomistic perspective.

The research technician will employ existing force fields combined with kinetic Monte Carlo and/or Molecular Dynamics to simulate intra- and inter-crystalline hydrogen diffusion in metal alloys of interest for the wind turbine sector

Topics: Hydrogen diffusion, atomistic modelling, kinetic Monte Carlo, Molecular Dynamics, Density Functional Theory, metal alloys, Hydrogen diffusion, mesoscale models

Deadline: December 15, 2021
Application: http://www.bcamath.org/en/research/job/ic2021-12-research-technician-for-the-atomistic-simulation-of-hydrogen-diffusion-in-alloys

Requirements: Applicants must have their Bachelor’s or Master degree preferable in Computational Physics, Computational Chemistry, Applied Mathematics, Computer Science, or related fields

Skills: • Good interpersonal skills.
• Demonstrated ability to work independently and as part of a collaborative research team.
• Ability to present and publish research outcomes in spoken (talks) and written (papers) form.
• Ability to effectively communicate and present research ideas to researchers and stakeholders with different backgrounds.
• Fluency in spoken and written English

Scientific problem: • Strong background in atomistic simulation methods such as Molecular Dynamics and kinetic Monte Carlo applied to solid state materials.
• Basic knowledge of LAMMPS and/or GROMACS and atomistic visualization software.
• Working knowledge of Density Functional Theory.
• Experience in hydrogen diffusion in alloys, embrittlement processes and/or crack propagation.
• Background in mesoscopic simulation methods is desirable.
• Programming skills in either Python, C++ or Fortran are desirable