6th Meeting of the CCN

The 6th biennial meeting of the Code Centres Network, 16 – 18 October 2019, will be held at IAEA Headquarters in Vienna, Austria. The Scientific Secretary is Christian Hill (Unit Head, Atomic and Molecular Data Unit, IAEA).

The meeting will discuss the ongoing development of the CascadesDB database of collisional cascades simulations in materials of relevance to fusion applications and its inclusion in a planned, broad-ranging suite of databases for fusion and fission material science with the following goals:

  • To include experimental measurements and observations, particularly on steel (microscopy, XRD, positron emission, etc.)
  • A fully-described set of DFT simulations and predictions of defect formation and behaviour, particularly in Fe.
  • To expose an API so that data can be retrieved automatically from the database and included in computational workflows. This would allow, for example, cascade simulations to be input into hybrid models which use additional data and modelling to predict embrittlement of reactor structural components.
  • To facilitate machine learning on large data sets, where available.
  • To assess uncertainty propagation and estimation.

Agenda

Wednesday, 16 October 2019

09:30 – 10:00Arjan KONING, Christian HILL: Welcome, introduction of the participants, adoption of the agenda
10:00 – 10:30Christian HILL (IAEA)
Background and current status of radiation damage data services of the Atomic and Molecular Data Unit
10:30 – 11:00Sergei DUDAREV (Culham Centre for Fusion Energy, United Kingdom)
Radiation defect data for a Virtual Tokamak Model
11:00 – 11:30Coffee Break
11:30 – 12:00Andrea SAND (Department of Physics, University of Helsinki, Finland)
presentation title to follow
12:00 – 12:30Wangyu HU (Hunan University, China)
presentation title to follow
12:30 – 13:00Roman VOSKOBOYNIKOV (Kurchatov Institute, Russia)
presentation title to follow
13:00 – 14:30Lunch
14:30 – 15:00NOMOTO Akiyoshi (Materials Science Research Laboratory, Central Research Institute of Electric Power Industry (CRIEPI), Japan)
presentation title to follow
15:00 – 15:30Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
presentation title to follow
15:30 – 16:00Coffee Break
16:00 – 16:30Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
presentation title to follow
16:30 – 17:00Mihai Cosmin MĂRINICĂ (Université Paris-Saclay, France)
presentation title to follow
19:00 – 21:30Social Dinner

Thursday, 17 October 2019

09:00 – 09:30María J. CATURLA (Department of Applied Physics, University of Alicante, Spain)
presentation title to follow
09:30 – 10:00Christophe DOMAIN (EDF R&D Lab Les Renardières, France)
presentation title to follow
10:00 – 10:30Marta SERRANO (Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Spain)
CIEMAT contribution to the IAEA Code Centres Network (CCN)
10:30 – 11:00Coffee Break
11:00 – 11:30Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Visualization of collisional cascades data
On behalf of Utkarsh BHARDWAJ
11:30 – 12:30Discussion (all): Prospects for improvement and expansion of CascadesDB
12:30 – 14:00Lunch
14:00 – 14:30Julien VIDAL (EDF R&D Lab Les Renardières, France)
presentation title to follow
14:30 – 17:00Discussion (all): Provision and exploitation of experimental and theoretical data sets of relevance to radiation damage data sets at the IAEA

Friday, 18 October 2019

09:00 – 11:00Discussion (all): Practical aspects: data availability, upload, validation, provenance and licensing; Formulation of future plans and roadmap
11:00 – 11:30Coffee Break
11:30 – 12:30Recommendations and drafting of meeting report
12:30 – 13:00Final Comments and Review; Adjournment of Meeting

Presentations

Christian HILL (IAEA)
Background and current status of radiation damage data services of the Atomic and Molecular Data Unit

Sergei DUDAREV (Culham Centre for Fusion Energy, United Kingdom)
Radiation defect data for a Virtual Tokamak Model

Andrea SAND (Department of Physics, University of Helsinki, Finland)
presentation title to follow

Wangyu HU (Hunan University, China)
presentation title to follow

Roman VOSKOBOYNIKOV (Kurchatov Institute, Russia)
presentation title to follow

NOMOTO Akiyoshi (Materials Science Research Laboratory, Central Research Institute of Electric Power Industry (CRIEPI), Japan)
presentation title to follow

Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
presentation title to follow

Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
presentation title to follow

Mihai Cosmin MĂRINICĂ (Université Paris-Saclay, France)
presentation title to follow

María J. CATURLA (Department of Applied Physics, University of Alicante, Spain)
presentation title to follow

Christophe DOMAIN (EDF R&D Lab Les Renardières, France)
presentation title to follow

Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Visualization of collisional cascades data
On behalf of Utkarsh BHARDWAJ

Marta SERRANO (Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Spain)
CIEMAT contribution to the IAEA Code Centres Network (CCN)

Julien VIDAL (EDF R&D Lab Les Renardières, France)
presentation title to follow