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Determination of Phenomenological Law for Simulating Glass Alteration from Microscopic to Macroscopic Sc


Thesis topic details

General information

Organisation

The French Alternative Energies and Atomic Energy Commission (CEA) is a key player in research, development and innovation in four main areas :
• defence and security,
• nuclear energy (fission and fusion),
• technological research for industry,
• fundamental research in the physical sciences and life sciences.

Drawing on its widely acknowledged expertise, and thanks to its 16000 technicians, engineers, researchers and staff, the CEA actively participates in collaborative projects with a large number of academic and industrial partners.

The CEA is established in ten centers spread throughout France
  

Reference

SL-DES-24-0235  

Thesis topic details

Category

Condensed Matter Physics, chemistry, nanosciences

Thesis topics

Determination of Phenomenological Law for Simulating Glass Alteration from Microscopic to Macroscopic Scale.

Contract

Thèse

Job description

Borosilicate glasses are used to contain long-lived radioactive waste resulting from the reprocessing of spent nuclear fuel. Predicting their long-term behavior in deep geological storage relies on models that describe, in a disjointed manner, the physico-chemical processes from the molecular scale (molecular dynamics) to the macroscopic scale (geochemical model), passing through an intermediate scale known as mesoscopic (Monte Carlo, phase field model, and gel maturation model).
Molecular and mesoscopic scale models deal with simple cases (glasses with 3 or 4 oxides altered in pure water). They have significant explanatory power but limited predictive scope because the actual situation is more complex: nuclear glass consists of about thirty oxides. It undergoes the effects of irradiation and will evolve in an environment influenced by the claystone of the site, iron, corrosion products from metal casings, and the filling material.
The geochemical model allows simulating the behavior of complex glasses under realistic alteration conditions but currently relies on a simplified description of basic processes, sometimes distant from real processes.
The thesis will contribute to bridging the gap between simplified approaches and more realistic complex systems. It focuses on three main axes:
1 - Validation of gel maturation phenomenological laws for glasses of increasing complexity.
2 - Consideration of irradiation effects.
3 - Consideration of environmental effects.

Profile sought: Master's degree (M2) or engineering degree in solid-state physicochemistry/materials science. The thesis will provide the candidate with advanced skills in the field of glasses, modeling, and project management in multidisciplinary research, in collaboration with industrial and academic partners. Numerous employment opportunities are available after the thesis, in the nuclear sector, glass industry, or academia.

University / doctoral school

Information, Structures et Systèmes (I2S)
Montpellier

Thesis topic location

Site

Marcoule

Requester

Position start date

01/10/2024

Person to be contacted by the applicant

GIN Stéphane stephane.gin@cea.fr
CEA
DES/DPME//LEMC
CEA Marcoule
ISEC/DPME/SEME/LEMC
BP17171 30207 Bagnols sur Cèze Cedex
0466791465

Tutor / Responsible thesis director

DELAYE Jean-Marc jean-marc.delaye@cea.fr
CEA
DES/DPME//LEMC
CEA Marcoule
ISEC/DPME/SEME/LEMC
BP17171
30207 Bagnols-sur-Cèze cedex
0466791794

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