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2012 Joint ICTP-IAEA Workshop on Fusion Plasma Modelling Using Atomic and Molecular Data

23-27 January 2012, Miramare, Trieste, Italy

Organizers: B. J. Braams and H.-K. Chung (IAEA, Vienna, Austria) and J. Niemela (ICTP, Trieste, Italy)
Administrative support: Ms Doreen Sauleek (ICTP),

Important links

ICTP Activity Website

Workshop Announcement (Poster)

Summary Report


Fusion energy research relies heavily on plasma modelling to predict the behaviour of the plasma and to interpret spectroscopic and other diagnostics of the plasma during operation. Plasma-wall interaction and the associated sputtering and desorption of wall material into the plasma are extremely important in determining the plasma composition, the erosion of surface material and changes in surface composition and material properties, and ultimately the feasibility of fusion power production. Modelling of plasma-wall interaction requires a combination of plasma and neutral gas transport codes and atomic, molecular, and plasma-material interaction data. Modelling of impurity behaviour in the core plasma and understanding core plasma diagnostics requires use of atomic cross section data and spectroscopic data.

The purpose of the Workshop is to train potential new researchers in fusion energy in the basics of plasma modelling with use of atomic, molecular and plasma-material interaction data. Lecturers will describe experimental and (mainly) computational methods by which such data are obtained, for example collisional-radiative modelling to obtain atomic data and molecular dynamics and Monte Carlo simulations to obtain data on plasma-material interaction, and they will describe how these data are used in modelling and diagnostics of fusion plasma experiments.

Workshop schedule and links to presentations

Lectures, registration, poster session and reception all took place in the Leonardo da Vinci Building (ICTP main building). The lectures were held in the Euler lecture hall.

Monday 23 January 2012

08:30 - 09:00 (Leonardo da Vinci Building, Lobby): Registration and Administrative Formalities
09:00 - 09:15 Bas Braams, IAEA, Vienna, Austria: Welcome and Introductions
09:15 - 10:00 Detlev Reiter, Forchungszentrum Juelich, Germany: Introduction to edge plasma modelling
10:00 - 10:30 Coffee Break
10:30 - 11:15 Kaoru Ohya, The University of Tokushima, Japan: Introduction to impurity transport modelling and plasma-wall interaction
11:15 - 12:00 Mourad Telmini, LSAMA, Tunis, Tunisia: Introduction to computations for electron-molecule collisions
12:00 - 13:30 Lunch Break
13:30 - 13:45 Joe Niemela, ICTP, Trieste, Italy: Overview of the International Centre for Theoretical Physics
13:45 - 14:30 Yuri Ralchenko, NIST, Gaithersburg, USA: Introduction to atomic data and spectroscopy
14:30 - 15:15 Hyun-Kyung Chung, IAEA, Vienna, Austria: Introduction to collisional-radiative modelling of atomic processes
15:15 - 15:45 Coffee Break
15:45 - 16:30 Yaming Zou, Fudan University, Shanghai, China: Introduction to electron beam ion trap experiments (talk presented by Roger Hutton)
16:30 - 17:15 Beata Ziaja-Motyka, HASYLAB at DESY, Hamburg, Germany: Introduction to uses of atomic data for modelling warm dense matter

Tuesday 24 January 2012

08:30 - 09:15 Alain Allouche, Université de Provence, Marseille, France: Introduction to density-functional theory modelling of fusion materials exposed to plasma
09:15 - 10:00 Kai Nordlund, University of Helsinki, Finland: Introduction to molecular dynamics modelling for plasma-wall interaction
10:00 - 10:30 Coffee Break
10:30 - 12:00 Beata Ziaja-Motyka, HASYLAB at DESY, Hamburg, Germany: Further modelling of warm dense matter
12:00 - 13:30 Lunch Break
13:30 - 15:00 Participant short talks, introductions to the poster session; see below for full schedule
15:00 - 15:30 Coffee Break
15:30 - 17:00 Poster Session (posters will remain up on Wednesday and Thursday)
18:00 - 20:00 Welcome Reception

Wednesday 25 January 2012

08:30 - 10:00 Kai Nordlund, University of Helsinki, Finland: Further molecular dynamics modelling for plasma-wall interaction
10:00 - 10:30 Coffee Break
10:30 - 12:00 Yuri Ralchenko, NIST, Gaithersburg, USA: Further on atomic collisions and spectroscopy
12:00 - 13:30 Lunch Break
13:30 - 14:15 Yaming Zou, Fudan University, Shanghai, China: Dielectronic recombination studies using EBIT (talk presented by Roger Hutton)
14:15 - 14:45 Roger Hutton, Fudan University, Shanghai, China: Spectroscopy on EBITs
14:45 - 15:15 Joel Clementson, Lawrence Livermore National Laboratory, USA: Interpretation of EBIT data; the case of tungsten

Thursday 26 January 2012

08:30 - 10:00 Mourad Telmini, LSAMA, Tunis, Tunisia: Further on electron-molecule collisions
10:00 - 10:30 Coffee Break
10:30 - 12:00 Detlev Reiter, Forchungszentrum Juelich, Germany: Further on modelling with use of hydrogen kinetics database
12:00 - 13:30 Lunch Break
13:30 - 15:00 Kaoru Ohya, The University of Tokushima, Japan: Further on kinetic modelling of near-wall plasma
15:00 - 15:30 Coffee Break
15:30 - 17:00 Paolo Giannozzi, Dipartimento di Fisica, Università di Udine, Italy: Quantum simulations of materials using Quantum ESPRESSO

Friday 27 January 2012

08:30 - 10:00 Yuri Ralchenko, NIST, Gaithersburg, USA: Further on atomic physics and spectroscopy
10:00 - 10:30 Coffee Break
10:30 - 12:00 Hyun-Kyung Chung, IAEA, Vienna, Austria: Collisional-radiative modelling using FLYCHK (Lecture materials to follow)
12:00 - 13:30 Lunch Break
13:30 - 15:00 Detlev Reiter, Forchungszentrum Juelich, Germany: Further on edge plasma modelling and molecular data
15:00 - 15:30 Coffee Break
15:30 Workshop closing

Participant short talks and posters

Participants had a 5-minute talk to introduce their poster. In many cases the poster itself was used as the material for the talk and then we don't provide a separate link to the poster.

Fatma Argoubi, Faculty of Science of Tunisia, Tunis, Tunisia:
Ab-initio computation of excited states of molecular hydrogen: Halfium model (+ Poster)

Gunnar Bandelow, Max-Planck-Institut für Plasmaphysik Teilinstitut Greifswald, Greifswald, Germany:
Simulations of low-temperature plasmas

Muhammad Abbas Bari, Pakistan Atomic Energy Commission:
Calculation of radiative properties of hot dense plasmas

Zeyneb Bedrane, Laboratoire de Physique Théorique, Dpt. Physique, Université de Tlemcen, Algeria:
How anisotropic electrons influence the density diagnostic of hot plasma?

Bastiaan Braams, Nuclear Data Section, IAEA, Vienna, Austria:
Work of the IAEA A+M Data Unit on atomic, molecular and plasma-surface interaction data for fusion (+ Poster)

Kalyan Kumar Chakrabarti, Department of Mathematics, Scottish Church College, Kolkata, India:
Dissociative recombination and excitation in H2+, HD+ and BeH+

Julia Duras, Ernst Moritz Arndt Universität Greifswald, Greifswald, Germany:
Particle simulation of ion thrusters (+ Poster)

Michel Douglas Epée Epée, Departement of physics, Faculty of science, University of Douala, Douala, Cameroon:
Rotational transitions induced by collisions of H2+ ions with low energy electrons (+ Poster)

Yves Ferro, Université de Provence Laboratoire Physique des Interactions Ioniques et Moléculaires, Marseille, France:
Interaction of beryllium atoms, dimers and Ben clusters with graphite

Reetesh Kumar Gangwar, Department of Physics, Indian institute of Technology (IIT) Roorkee, Roorkee, India:
Electron impact excitation and its application to plasma modeling

Pooja Gulati, Plasma Devices Technology, Central Electronics Engineering Research Institute, Pilani, India:
Analysis of discharge parameters and spectroscopic diagnostic of DBDs

Dhanoj Gupta, Dept. of Applied Physics, Indian School of Mines, Dhanbad, India:
Total ionization cross sections for Sr, Y, Ru, Pd and Ag atoms by electron impact

Lars Lewerentz, Institute for Physics, Ernst-Moritz-Arndt University, Greifswald, Germany:
Particle-in-Cell (PIC) simulation of magnetic reconnection

Sébastien Niyonzima, Université du Burundi, Faculté des Sciences, Département de Physique, Bujumbura, Burundi:
Elementary processes in BeH+ molecular plasma (+ Poster)

Yultuz Omarbakiyeva, International Information Technologies University; Department of physics, Almaty, Kazakhstan:
Cluster virial expansion for the equation of state of partially ionized hydrogen plasma

Houaida Oueslati, Faculty of Science of Tunis, El Manar, Tunis, Tunisia:
Multichannel quantum defect theory of 3Pu and 3Su+ states of H2: rovibronic energy levels (+ Poster)

Kandasamy Ramachandran, School of Mechanical Sciences, Karunya University, Coimbatore, Tamil Nadu, India:
Modelling of plasma heating of the substrate (+ Poster)

Daniel Romero-Nieto, Molecular Simulation Engineering (MOSE) Laboratory, University of Trieste, Italy:
Molecular modeling of multifunctional nanostructured materials and coatings

Tobias Schlummer, Institute of Energy and Climate Research - Plasma Physics (IEK-4), Forschungszentrum Jülich GmbH, Jülich, Germany:
Effective rate coefficients for charge exchange recombination spectroscopy (CXRS) with fully ionized helium and argon (+ Poster)

Gheesa Lal Vyas, Birla Institute of Technology, Jaipur, India:
Development of Penning plasma discharge source for VUV spectrometer calibration and its characterization

Yang Yang, Modern Physics Institute, Fudan University, Shanghai, China:
Measurements of the electron beam density in Shanghai EBIT

Group photo

Tuesday 24 January 2012 in the Leonardo Building Lobby.

Rear row left to right: Yuri Ralchenko, Mourad Telmini, Fatma Argoubi, Roger Hutton, Sébastien Niyonzima, Gunnar Bandelow, Tobias Schlummer, Kai Nordlund, Lars Lewerenz, Kandasamy Ramachandran. Front two rows left to right: Yang Yang, Doreen Sauleek, Daniel Romero Nieto, Houaida Oueslati, Beata Ziaja-Motyka, Pooja Gulati, Yultuz Omarbakiyeva, Hyun Kyung Chung, Joel Clementson, Michel Epee Epee, Bas Braams, Julia Duras, Zeyneb Bedrane, Gheesa Lal Vyas, Reetesh Kumar Gangwar, Kaoru Ohya, Dhanoj Gupta, Kalyan Kumar Chakrabarti.

Not shown: Alain Allouche, Yves Ferro, Muhammad Abbas Bari.

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