PhD position: Quantifying the effect of deviatoric stress on phase equilibrium, a multiscale approach in a geodynamic perspective (M/F)

Job Description

Thesis Subject

At the CNRS, on the Futuroscope site, the Pprime Institute is recruiting a PhD student as part of the international MULTI-STEP research project, funded by the ANR, in collaboration with the Centre de Mise en Forme des Matériaux (Mines-ParisTech, Sophia Antipolis, France), l'Université de Heidelberg (Allemagne) et l'Université Goethe (Francfort, Allemagne) whose research topic is: Multiscale Stress-driven Thermodynamic Equilibrium Predictions.

This project aims at understanding the effect of deviatoric stress on the phase fraction equilibrium of titanium and silica. It proposes to overcome the classical hypotheses for phase equilibrium calculations using a multiscale numerical approach, from atomistic to large-scale thermomechanical modeling, coupled with micromechanical experiments.

1- DESCRIPTION of the Thesis :
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The PhD thesis will mostly focus on the workpackage (WP) 1 of the MULTI-STEP project lying on atomic scale simulations. The main objective of this WP is to provide deviatoric stress-dependant phase diagrams for both titanium and silica. In this aim, atomistic simulations will be used in combination with state of the art approaches for computing Gibbs free energies, such as thermodynamics integration or umbrella sampling. The atomic scale approach will also allow to obtain two main ingredients needed for the homogenization performed in WP5.

First, the atomistic simulation will allow to derive equations of state for all phases of interest, which will be used to compute the volumetric part of eigenstrains.

Second, the bicrystallography will permits from the atomic structure of the crystals to infer the deviatoric part of the eigenstrains related to the different phase transformations.

Depending on the progress of the subject and the candidate's interests, participation in other WPs of the project may be considered.

2- Required SKILLS:
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The candidate must hold a Master's degree or an engineering degree in the field of materials physics.

It is recommended that the candidate has:
-Programming skills (Python, C++), experience with atomic simulation software (LAMMPS, Quantum-Expresso),
-Theoretical knowledge of thermodynamics and statistical physics would be an asset.

Your Work Environment

The CNRS (National Centre for Scientific Research) is a public multidisciplinary research organisation under the supervision of the Ministry of Higher Education, Research and Innovation, dedicated to advancing knowledge for the benefit of society.

The Pprime Institute is a CNRS Research Unit (UPR) specialising in the fields of Physical Sciences and Engineering Sciences. Its activities cover a broad scientific spectrum, ranging from materials physics to fluid mechanics, solid mechanics, mechanical engineering and energy science.

The PhD student will be based at the Pprime Institute within the Department of Physics and Mechanics of Materials, as part of the Physics of Defects and Plasticity (PDP) team.

Constraints and risks

Enrollment in the Doctoral School at the University of Poitiers/ MIMME.
Short-term travel, both within France and abroad, is to be expected.

Compensation and benefits

Compensation

2300 € gross monthly

Annual leave and RTT

44 jours

Remote Working practice and compensation

Pratique et indemnisation du TT

Transport

Prise en charge à 75% du coût et forfait mobilité durable jusqu’à 300€

About the offer

About the CNRS

The CNRS is a major player in fundamental research on a global scale. The CNRS is the only French organization active in all scientific fields. Its unique position as a multi-specialist allows it to bring together different disciplines to address the most important challenges of the contemporary world, in connection with the actors of change.

CNRS

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