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MOLECULAR-DYNAMICS-NEWS  March 2018

MOLECULAR-DYNAMICS-NEWS March 2018

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Subject:

2 years postdoc in KMC/FEM modeling of H/He-W interactions

From:

Régis Bisson <[log in to unmask]>

Reply-To:

Régis Bisson <[log in to unmask]>

Date:

Wed, 28 Mar 2018 17:55:34 +0200

Content-Type:

text/plain

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Parts/Attachments

text/plain (78 lines)

Dear Colleagues,

A 2 years post-doctoral position is offered in the framework of the 
collaborative project WHeSCI (http://piim.univ-amu.fr/amidex/whesci), 
financed by the A*MIDEX foundation (http://amidex.univ-amu.fr) and 
proposed in the context of the International Thermonuclear Experimental 
Reactor (ITER), the international project that aims to demonstrate the 
technological and scientific feasibility of fusion energy with the 
Tokamak design (http://www.iter.org).
The WHeSCI project seeks to describe the interactions of the fusion fuel 
(deuterium (D) and tritium (T)) and ashes (helium (He) and neutron) with 
the walls of the exhaust of the reactor (the divertor made of Tungsten, 
W). The induced material properties modifications are indeed critical 
for the reactor operation and safety and the successful operation of 
ITER requires a detailed understanding of the plasma-wall interactions.

In this context, the post-doctoral fellow will be involved in the 
further development of the MHIMS and HIIPC Macroscopic Rate Equation 
(MRE) models [1-4], which are describing so far the D/T fuel trapping in 
bulk metals, in absence or in presence of bubbles in the micrometre 
range. In particular, he/she will study and implement synergistic 
effects between D/T/He implantations and neutron-induced defects in 
tungsten materials. Object Kinetic Monte Carlo (OKMC) simulations will 
be used to obtain a dynamical insight onto temporal and thermal 
evolution of D/T/He and defects in W. Ultimately, OKMC simulations will 
provide information on bubble nucleation. The input parameters for the 
OKMC code LAKIMOCA [5] will come from the literature but also from 
several WHeSCI project partners: atomic-scale events energies and 
attempt frequencies will come from DFT calculations, spatial 
distribution of defects and D/T/He species will come from experiments. 
Once bubble nucleation is understood, its growth will be investigated 
with Finite Element Methods (FEM) [6]. Based on this numerical approach, 
D/T/He trapping and bubble growth will be included in the MRE 
simulations. This work will be done in close collaboration with a PhD 
student at CNRS/LSPM who is currently developing the Abaqus Finite 
Element Method (FEM) code as well as a staff of the CEA group working on 
the MHIMS program.

The candidate should have a PhD in computational physics, a solid 
background in solid state physics and show skills in the field of 
metallic materials. At least one experience of OKMC or FEM simulations 
is required. As the candidate will have to interact with the various 
actors in the project, good oral and written communication skills are 
necessary and the ability to work in a collaborative research 
environment is essential. Knowledge of French would be appreciated but 
is not mandatory.

The 1st year of the contract will be located in Lille (France) and will 
focus on OKMC simulations with Charlotte Becquart (CNRS/UMET - 
University Lille). The 2nd year will be located in Paris and will focus 
on FEM and MRE implementations with Yann Charles and Jonathan Mougenot 
(CNRS/LSPM - University Paris 13). Christian Grisolia (CEA/IRFM) will 
coordinate the simulation work. The postdoctoral contract is financed by 
the WHeSCI project (coordinated by Régis Bisson, Aix-Marseille 
University/PIIM). Application is open until May 31 and the earliest 
starting date is July 1 2018.

Questions should be sent directly to the following contact persons:
Christian Grisolia: [log in to unmask] / Laboratoire IRFM - CEA 
Cadarache - 13115 Saint-Paul-lez-Durance
Charlotte Becquart: [log in to unmask] / Laboratoire 
UMET- Université Lille 1 - 59655 Villeneuve d'Ascq
Yann Charles: [log in to unmask] - Jonathan Mougenot 
[log in to unmask] / Laboratoire LSPM – Université Paris 
13 – 93430 Villetaneuse
Régis Bisson: [log in to unmask] / Laboratoire PIIM – 
Aix-Marseille University – 13013 Marseille

[1] E.A. Hodille et al Nucl. Fusion 57 076019 (2017)
[2] E.A. Hodille et al Phys. Scr. T167 014011 (2016)
[3] C. Sang et al Nucl. Fusion 52 043003 (2012)
[4] C. Quiros et al Nucl. Mat. Ener. 12 1178-1183 (2017)
[5] C.S. Becquart et al. J. Nucl. Mater. 403 75-88 (2010)
[6] Y. Charles et al IJHE 42 20336-350 (2017)

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