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MOLECULAR-DYNAMICS-NEWS  May 2017

MOLECULAR-DYNAMICS-NEWS May 2017

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Subject:

PhD at LOMC, Le Havre University, France

From:

Ioan Schneider <[log in to unmask]>

Reply-To:

Ioan Schneider <[log in to unmask]>

Date:

Thu, 11 May 2017 11:19:03 +0200

Content-Type:

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Dear Colleagues. A PhD on the electron/molecule reactive
collisions will be funded at fall at LOMC-UMR-6294,
Le Havre University, Normandy, France.
The announcement follows.
Thank you for spreading it around.
Best regards, Ioan Schneider

Electron-Molecule Collisions: Study of the Reactive Mechanisms
and Applications.

Doctoral School: Physics, Engineering, Materials, Energy (PSIME),
Normandie Université.

Research group: ‘Reactive Processes’, LOMC-UMR-6294, Université
du Havre Normandie.

Supervisor: Ioan F. SCHNEIDER, Université du Havre Normandie.
Co-supervisor: Arnaud BULTEL, CORIA-UMR-6614, Université de Rouen
Normandie.

Sponsor: Normandy region (La Région Normandie).

Key words: reactive collisions, dissociative recombination,
rate coefficients, quantum methods, plasmas, kinetics,
collisional-radiative model.

Context and motivation: The electronic collisions are major
processes in the  plasmas of hypersonic entries of spacecrafts
in the planetary atmospheres, in the edge of the  fusion plasmas,
in the interstellar molecular clouds, flames and ionic propulsion
plasmas [1]. Sophisticated experiments measuring the rate
coefficients of these processes are supported and extended by
quantum state-to-state computations, in order to deeply
understand the role of these collisions in the kinetics and
hydrodynamics of the invoked environments, and in order to fill
the data bases (NIST, ADAS, UMIST, KIDA, etc.) in view of detailed
modelling.

Objectives of the doctoral work: We will study the collisions between
electrons and molecules – neutral and ionized - in particular the
Hydrogen (molecular benchmark), the hydrides – containing Oxygen,
Carbon, Argon, metalic elements, etc. – and species containing halogenes
or Sulphur. Three activities will be simultaneously developped.
The first one will be the production of molecular structure data –
potential energy curves and inter-channel couplings – by using
quantum chemistry and R-matrix methods. The second one will be the
modelling of the reactional dynamics (recombination, attachement,
dissociation,ionization, excitation) by collisional methods and
theoretical spectroscopy methods. And finally the third will be
that of the use of the rate coefficients in the kinetic models.

Methodological details: Many of the reactions invoked occur
simultaneously and, consequently, are in mutual competition.
They are complex processes, where the super-excited states
amplify resonantly the excitation, the ionization and the dissociation.
Several fragmentation continua – electron/molecule, atom/atom, etc. –
and several infinite series of bound states overlap. Our methods
are the only capable to manage this complexity, and to link it to
the kinetic models. They are based on the Multichannel Quantum Defect
Theory (MQDT) [2-6], on the R-matrix theory [7] and on the
Configuration Interaction theory [8]. The kinetics driven by these
processes will be described by collisional-radiative models [9].

Collaborations : In France: Laboratories CORIA (Rouen), LSPM
(Villetaneuse), Aimé Cotton (Orsay), LPP (Ecole Polytechnique),
Ecole Centrale de Paris, IPAG (Grenoble), LUPM (Montpellier).
Abroad: University College London, University of Central Florida -
Orlando, University of California – Davis, Max-Planck-Institut
für Kernphysik - Heidelberg, Stockholm University, Politecnico
and Aldo Moro University - Bari, University of Calcutta,
University of Douala, University of Burundi, Politehnica
University and West University of Timisoara, Tunis El Manar
University.

References :
     [1] I. F. Schneider, O. Dulieu et J. Robert (Editeurs) Eur.
Phys. J./Web  of Conferences 84, 2015
(http://www.epj-conferences.org/articles/epjconf/abs/2015/03/contents/contents.html).
     [2] Ch. Jungen, “Elements of Quantum Defect Theory”, in M. Quack
and F. Merkt (editors), Handbook of High Resolution Spectroscopy,
Wiley, Chichester, New York 2010.
     [3] J. Zs. Mezei et al, Plasma Sources Science and Technology
24, 035005, 2015.
     [4] M. D. Epée Epée et al, Monthy Notices of the Royal
Astronomical Society 455, 276–281, 2016.
     [5] D. A. Little et al, Phys. Rev. A 90, 052705, 2014.
     [6] S. Niyonzima et al,  Phys. Rev. A 87, 022702, 2013.
     [7] J. Tennyson, Physics Reports 491, 29-76, 2010.
     [8] V. Laporta et al, Plasma Physics and Controlled Fusion
59, 045008, 2017.
     [9] A. Bultel et al, Physics of Plasmas 13, 043502, 2006.

-- 
Ioan F. SCHNEIDER, Professeur de Physique,
Groupe de recherche PROCESSUS REACTIFS,
Laboratoire ONDES & MILIEUX COMPLEXES (LOMC) CNRS-UMR-6294,
UFR Sciences & Techniques, Université du Havre, 25, rue Philippe Lebon,
BP 1123, 76063 Le Havre cedex, France.
Tél: +33 (0)2.32.74-4313, (0)2.35.21-7128; Mobile: +33 (0)6.61.50.53.99
Fax: +33 (0)2.32.74-4314; e-mail: [log in to unmask]
http://www.univ-lehavre.fr

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