Postdoc position in molecular dynamics simulation of glass alteration

 

A theoretical postdoctoral position in the field of glasses is open in the “ Structure and Dynamics by Magnetic Resonance” laboratory (LSDRM) at Paris-Saclay University (Rodolphe Pollet) in collaboration with the LCLT (Laboratoire du Comportement à Long Terme) at CEA Marcoule (Jean-Marc Delaye), France.

 

Topics: Ab initio molecular dynamics simulation of materials; glass alteration in aqueous solution; long-term behavior of nuclear glasses.

 

Subject : In contact with an aqueous solution, the dissolution of a borosilicate glass consists of several steps. First, through interdiffusion and hydrolysis processes, the glass dissolves at a maximum alteration rate. This work will consist in characterizing at the structural and energetic levels the hydrolysis mechanisms around the boron atoms and their diffusion through the surface layer. The ab initio and metadynamics methods will be brought in to simulate these processes. The data provided by this work will help contribute to the input of a Monte Carlo code used at CEA Marcoule to calculate the glass alteration at a more macroscopic scale.

 

Profile: The candidate is expected to hold a PhD in a relevant area of chemical physics since no more than 2 years. He/she will have prior experience in molecular dynamics simulation (mandatory) as well as in density functional theory and simulation of materials. Background in Car-Parrinello simulations will be an asset.

 

Start: Oct. 2019 - Apr 2020

 

Duration: 1 year

 

Salary: Net monthly salary (including state health benefits, before income tax): from

2200 €, depending on experience.

 

Location: CEA Paris-Saclay is a research center of the French Atomic Agency,

located SW of Paris, close to Orsay and Gif-sur-Yvette, at approx. 20 km from Paris

downtown.

 

Application: the application should include:

- a Curriculum Vitae

- a letter of motivation

- names and contact information of two academic referees

Applications must be sent to :

Dr. Rodolphe Pollet

CEA Saclay, LSDRM, Bât 129

91191 Gif-sur-Yvette, France

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Group webpage:

http://iramis.cea.fr/nimbe/lsdrm/index.php