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MOLECULAR-DYNAMICS-NEWS  November 2018

MOLECULAR-DYNAMICS-NEWS November 2018

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Subject:

M2 internship at CEA Marcoule, France

From:

Andrey KALINICHEV <[log in to unmask]>

Reply-To:

Andrey KALINICHEV <[log in to unmask]>

Date:

Thu, 22 Nov 2018 17:07:34 +0100

Content-Type:

text/plain

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Hello everyone,

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 
message.

==================================================================
Master internship
-----------------
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 
accommodation)

Host laboratory
---------------
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 [1].
The objective of this internship will be to integrate these new 
mechanisms in a Monte Carlo code [2] 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]

[1] S. Gin, M. Collin, P. Jollivet, M. Fournier, Y. Minet, L. Dupuy, T. 
Mahadevan, S. Kerisit, J.C. Du, Nature Communications, 9 (2018) 2169.
[2] 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)2.51.85.84.80
E-mail: kalinich{at}subatech.in2p3.fr
http://www.imt-atlantique.fr/en/person/andrey-kalinichev

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