PhD Researcher: Hydrogen Embrittlement in Circular Steels

Delft University of Technology (TU Delft); Netherlands; On-site; EUR 35,000 - 52,000; Full time

Job summary

Join TU Delft and help design hydrogen-resistant circular steels as a PhD researcher. You will unravel atomistic HE mechanisms using DFT and machine-learned interatomic potentials, collaborating with Tata Steel and an international team.

The CIRHY project, funded by NWO, spans six years and combines quantum modelling with multiscale simulations to create sustainable steels for hydrogen environments.

Qualifications

• Master’s degree in a relevant discipline (MSE, physics or chemistry).
• Strong background in atomistic and molecular simulation, especially DFT/MD.
• Willingness to learn machine-learning interatomic potentials for MD.
• Strong academic record with thesis work and coursework.
• Excellent written and spoken English; publications/ conference work a plus.

Responsibilities

• Perform DFT to model hydrogen-tramp element co-segregation at boundaries.
• Use DFT to study interactions of hydrogen with dislocations.
• Develop a DFT-accurate MLIP for multi-component Fe alloys for MD.
• Collaborate with TU Delft researchers and international partners including Tata Steel.
• Contribute to publications, conference talks and dissemination within M2i.

Skills

DFT

MD simulations

ML interatomic potentials

English communication

Academic track record

Publication experience

Education

Master’s degree (Materials Sci/Engineering, Physics or Chemistry)

Tools

DFT software

MD software

Job description

Join TU Delft and help design hydrogen-resistant circular steels as a PhD researcher. You will unravel atomistic HE mechanisms using DFT and machine-learned interatomic potentials, collaborating with Tata Steel and an international team.

The CIRHY project, funded by NWO, spans six years and combines quantum modelling with multiscale simulations to create sustainable steels for hydrogen environments.