Postdoctoral Fellowship in Atomistic Simulation of Steels in Hydrogen – Rich Environments

BCAM - BASQUE CENTER FOR APPLIED MATHEMATICS, Spain

Updated: over 1 year ago
Job Type: FullTime
Deadline: 30 Oct 2022

This work is framed within the Basque government funded M-KONTAK project, in which several agents of the Basque Science, Technology and Innovation Network (including BCAM) are involved. The purpose of M-KONTAK is the development of a multi-scale modelling methodology to fundamentally understand the behavior of steels in hydrogen-rich environments. In BCAM, we will be focusing on the atomistic modelling of Hydrogen-induced embrittlement (HE), which can significantly reduce the ductility and load-bearing capacity and cause cracking and catastrophic brittle failures at stresses below the yield stress.

The postdoctoral fellow will combine density functional theory with kinetic Monte Carlo and/or Molecular Dynamics to simulate hydrogen diffusion at steel grain boundaries, with the aim of extracting kinetic and thermodynamic parameters that can be employed by our partners in continuous phase field models to understand the influence of morphology, temperature, and composition on HE at a microscopic scale.


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