13 Apr 2024
Job Information
- Organisation/Company
CNRS- Department
Institut de Chimie et des Matériaux Paris-Est- Research Field
Chemistry
Physics
Technology- Researcher Profile
First Stage Researcher (R1)- Country
France- Application Deadline
3 May 2024 - 23:59 (UTC)- Type of Contract
Temporary- Job Status
Full-time- Hours Per Week
35- Offer Starting Date
2 Sep 2024- Is the job funded through the EU Research Framework Programme?
Not funded by an EU programme- Is the Job related to staff position within a Research Infrastructure?
No
Offer Description
Subject: Computational and experimental investigation of non-stoichiometric intermetallic compounds
The proposed research is part of a bilateral Franco-German project (ANR-DFG AIIM, 2022-2025) aimed at predicting the stability of intermetallic phases through a detailed description of their crystallographic structure, such as site occupancy by substitutional mixing of atoms. Artificial intelligence (AI) modeling of data calculated by density functional theory (DFT) will be used for this purpose. The numerical methods to be implemented in this project require the support of experimental data, which are also part of this postdoctoral position, either upstream for the exploration of phase description models, or downstream for the confirmation of theoretical predictions.
The successful candidate will study the structural stability of topologically compact phases (TCP), also known as Frank-Kasper (FK) phases. These intermetallic phases are important for the design of superalloys and light steels that play a key role in energy efficiency, power generation or as materials for transportation. Intensive calculations within the framework of density functional theory (DFT) will provide the basis for building machine-learning models to explore the range of chemical compositions and the complexity of crystallographic structures.
In parallel, representative samples of the various phases studied will be synthesized by elemental cofusion and characterized (SEM, microprobe). They will then be studied by X-ray powder diffraction and the Rietveld method. This technique not only verifies the crystallographic structure, but also determines the occupancy of the species occupying the different sites of the structure when the sites are mixed.
This work is part of an international collaborative project (PRCI), entitled Artificial Intelligence for Intermetallic Materials (AIIM), funded by the Agence Nationale de la Recherche (ANR) in France and the Deutsche Forschungsgemeinschaft (DFG) in Germany.
The postdoctoral fellow will work at ICMPE (Thiais) under the supervision of Jean-Marc Joubert and Céline Barreteau, CNRS researchers, in collaboration with Thomas Hammerschmidt's group, ICAMS, Bochum (Germany) and Jean-Claude Crivello, LINK, Tsukuba (Japan).
Requirements
- Research Field
- Chemistry
- Education Level
- PhD or equivalent
- Research Field
- Physics
- Education Level
- PhD or equivalent
- Research Field
- Technology
- Education Level
- PhD or equivalent
- Languages
- FRENCH
- Level
- Basic
- Research Field
- Chemistry
- Years of Research Experience
- None
- Research Field
- Physics
- Years of Research Experience
- None
- Research Field
- Technology
- Years of Research Experience
- None
Additional Information
Eligibility criteria
The candidate must hold a PhD in Materials Science (or Solid State Chemistry/Physics). He/she must have motivation and interest in several areas, including theoretical methods such as programming, electronic structure calculations, machine learning techniques, and/or in experimental approaches such as synthesis, metallurgical characterization, crystallography. An interest in phase diagrams and thermodynamics will also be appreciated.
- Website for additional job details
https://emploi.cnrs.fr/Offres/CDD/UMR7182-JEAJOU-003/Default.aspx
Work Location(s)
- Number of offers available
- 1
- Company/Institute
- Institut de Chimie et des Matériaux Paris-Est
- Country
- France
- City
- THIAIS
- Geofield
Where to apply
- Website
https://emploi.cnrs.fr/Candidat/Offre/UMR7182-JEAJOU-003/Candidater.aspx
Contact
- City
THIAIS
STATUS: EXPIRED
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