Doctoral thesis M/F

Job Description

Thesis Subject

Understanding the parameters which determine the magnitude of thermal conductivity in solids is of both fundamental and technological interests. Thermal conductivity is sensitive to collective vibrations of atoms in solids that carry energy. Understanding these entropy carriers has led to a number of original phenomena such as the phonon and phonon-electron hydrodynamic regimes in graphite and antimony. In terms of applications, thermal properties of solids are at the heart of major social and environmental issues. For example, the need for highly efficient thermoelectric and thermal barrier devices to save energy has driven the quest for low thermal conductors.

High-entropy alloys, which involve features of both crystalline and amorphous solids, are regarded as a new avenue in search for low thermal conductivity. However, due to their highly disordered nature, understanding and predicting their thermal conductivity from first principles calculations is very challenging.

In this doctoral research project, we plan to use machine learning potentials to investigate the thermal conductivity of high-entropy oxides. This will involve evaluating the architecture of available machine learning interatomic potentials, generating the training data using density functional theory calculations, and training the machine learning potentials. Finally, we will use these machine learning potentials in calculating the thermal conductivity and understanding the mechanisms of heat flow.

Your Work Environment

The Centre for Theoretical Physics (CPHT) is a joint research unit (UMR 7644) of the French National Centre for Scientific Research (CNRS) and the École Polytechnique. The doctoral student (M/F) will join the condensed matter team at the CPHT.

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

The research professions