Here is an excellent opportunity for a 6-month internship (M2) in France
focused on Monte Carlo simulations of the mechanisms of glass corrosion
at the atomistic scale. For a successful candidate the work can be
eventually extended to become a PhD project.
The description of the project and contact coordinates are below this
Monte Carlo simulation of aqueous corrosion of oxide glasses
Internship location: LCLT (Laboratoire d’étude du Comportement à Long
Terme des matériaux de conditionnement) (CEA Marcoule, France).
Postal address: CEA Marcoule, DTCD/SECM/LMCT, BP17171, 30207
Bagnols-sur-Cèze cedex, France.
Supervisor: J.-M. Delaye
Mail : [log in to unmask]
Tel : (+33) 466791794
Duration: 6 months
Period: March - August 2019 (can be adjusted depending on the
availability of the candidate)
Remuneration: 700€ (gross salary) (+ a financial contribution for the
LCLT (“Laboratoire d’étude du Comportement à Long Terme des matériaux de
conditionnement”) is a research laboratory with about 20 people located
at CEA Marcoule (about 30 kilometers north of Avignon, France) and
dedicated to studies on the structure and long term behavior (aqueous
corrosion mainly) of waste matrices.
Subject of the internship
Aqueous corrosion of silicate glasses is a complex process, not yet
completely understood, and that concerns many different scientific and
industrial domains: construction industry, electronics industry, optics
business, heritage conservation, earth sciences, nuclear industry …
Recently, using different experimental (NMR spectroscopy, Raman,
Tof-SIMS …) and numerical techniques, significant progress has been made
to better understand the elementary mechanisms at the origin of the
glass corrosion. In particular, new insights have been gained on the
chemical reactions between the glass components and the solution,
leading to the formation of passivating layers .
The objective of this internship will be to integrate these new
mechanisms in a Monte Carlo code  describing the glass corrosion at
the atomistic scale. The work will consist in modifying the algorithm to
best represent the aqueous glass corrosion and the dynamics of the
alteration layer at the interface between the glass and the solution.
The candidate should have a good background in computational science and
molecular simulation of materials. It will be possible to continue
pursuing the topic by a PhD at the end of the internship.
To submit your application, please send your CV to
[log in to unmask]
 S. Gin, M. Collin, P. Jollivet, M. Fournier, Y. Minet, L. Dupuy, T.
Mahadevan, S. Kerisit, J.C. Du, Nature Communications, 9 (2018) 2169.
 F. Devreux, A. Ledieu, P. Barboux, Y. Minet, Journal of
Non-Crystalline Solids, 343 (2004) 13.
Dr. Andrey G. KALINICHEV, Directeur de Recherche
SUBATECH (UMR 6457 - IMT Atlantique, Université de Nantes, CNRS/IN2P3)
4 rue Alfred Kastler, La Chantrerie - CS 20722
44307 Nantes Cedex 3, FRANCE
Tél: +33 (0)220.127.116.11.80
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