PhD: Atomistic Hydrogen Embrittlement in Circular Steels

Delft; Netherlands; Remote; EUR 32,000 - 36,000; Full time

Benefits offered by this job

Relocation assistance

Dual Career Programme

Job summary

TU Delft is offering a PhD position to investigate hydrogen–defect interactions in circular steels using atomistic simulation. The project combines DFT and machine-learned interatomic potentials to unravel hydrogen embrittlement in recycled Fe alloys.

Close collaboration with Tata Steel and academic partners is integral to the CIRHY program. The role includes developing predictive simulations, contributing to publications, and engaging in a 6-year research initiative funded by NWO.

Qualifications

• Master’s degree in Materials Science and Engineering, Physics or Chemistry
• Strong background in atomistic and molecular simulation techniques (DFT/MD)
• Willingness to develop ML interatomic potentials for MD simulations
• Strong academic record including Master’s thesis and coursework
• Excellent written and spoken English; publication experience is a plus

Responsibilities

• Conduct DFT studies to model hydrogen-tramp element co-segregation at grain and phase boundaries
• Use DFT to analyze hydrogen interaction with dislocations and related effects
• Develop MLIP for a multi-component Fe alloy enabling MD simulations with near-DFT accuracy
• Collaborate with TU Delft partners, Groningen, Eindhoven, Twente, KU Leuven and Tata Steel
• Publish results and present findings within the project framework

Skills

Atomistic simulations

Density Functional Theory

MD simulations

Machine-learned interatomic potentials

English literacy

Education

Master’s degree in Materials Science and Engineering / Physics / Chemistry

Tools

VASP

Python

Job description

TU Delft is offering a PhD position to investigate hydrogen–defect interactions in circular steels using atomistic simulation. The project combines DFT and machine-learned interatomic potentials to unravel hydrogen embrittlement in recycled Fe alloys.

Close collaboration with Tata Steel and academic partners is integral to the CIRHY program. The role includes developing predictive simulations, contributing to publications, and engaging in a 6-year research initiative funded by NWO.