7th Meeting of the CCN

The 7th biennial meeting of the Code Centres Network will be held virtually from 18 – 20 October 2021. The Scientific Secretary is Christian Hill (Unit Head, Atomic and Molecular Data Unit, IAEA).

The meeting will focus on computational simulations of radiation damage in nuclear materials, particularly (1) collisional cascade simulations of neutron-irradiated fusion reactor materials and (2) density functional theory calculations of the energetics, evolution and properties of radiation-induced defects in such materials.

The IAEA maintains two databases relevant to this research: CascadesDB and DefectDB. Their development and population relies on efforts by research groups who participate in the Code Centres Network, coordinated by meetings such as this one, which set priorities, evaluate and recommend data, and identify data needs.

In addition to reviewing recent research in cascade simulation and DFT studies of defects, the issue of high-dose (several displacements per atom) damage (in fission reactors as well as candidates for experimental controlled fusion devices) will be addressed, and the scope for the use of CascadesDB and DefectDB within the multiscale modelling workflows of the ENTENTE (European Database for Multiscale Modelling of Radiation Damage) project assessed.

Agenda

Note: all times are given in Central European Summer Time (CEST, UTC+02:00).

Monday, 18 October 2021

14:00 – 14:30Melissa DENECKE (DIR-NAPC), Arjan KONING (SH-NDS), Christian HILL (UH, AMD Unit): Welcome, introduction of the participants, adoption of the agenda
14:30 – 15:00Marta SERRANO (Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Spain)
presentation title to follow
15:00 – 15:30Andrea SAND (Aalto University, Finland)
presentation title to follow
15:30 – 15:50Virtual Coffee Break
15:50 – 16:20Fei GAO (Department of Nuclear Engineering and Radiological Science, University of Michigan, United States of America)
Radiation Resistance in Multicomponent Equiatomic Alloys
[abstract (pdf: 70.9 KB)]
16:20 – 16:50Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
Cascade simulations in W-Ni-Fe heavy alloys and DFT study of He interaction with transmutation solutes in nano ferritic alloys

Tuesday, 19 October 2021

14:00 – 14:30Huiqiu DENG (Hunan University, China)
Interatomic potentials and displacement cascade simulations for W and W-based alloys
[abstract (pdf: 68.5 KB)]
14:30 – 15:00Jiting TIAN (Institute of Nuclear Physics and Chemistry (CAEP), China)
presentation title to follow
15:00 – 15:20Virtual Coffee Break
15:20 – 15:50Christian HILL (IAEA)
The IAEA CascadesDB and DefectDB databases
15:50 – 16:20Utkarsh BHARDWAJ (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Integration of CSaransh with CascadesDB
16:20 – 16:50Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
presentation title to follow
With Utkarsh BHARDWAJ

Wednesday, 20 October 2021

14:00 – 14:30María J. CATURLA (Department of Applied Physics, University of Alicante, Spain)
presentation title to follow
14:30 – 15:00Alexandra GORYAEVA ((CEA Saclay), France)
presentation title to follow
with Mihai Cosmin MĂRINICĂ
15:00 – 15:30Christophe DOMAIN (EDF R&D Lab Les Renardières, France)
presentation title to follow
15:30 – 15:50Virtual Coffee Break
15:50 – 17:00Discussion (all participants)

Presentations

Utkarsh BHARDWAJ (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Integration of CSaransh with CascadesDB

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

Huiqiu DENG (Hunan University, China)
Interatomic potentials and displacement cascade simulations for W and W-based alloys
[abstract (pdf: 68.5 KB)]

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

Fei GAO (Department of Nuclear Engineering and Radiological Science, University of Michigan, United States of America)
Radiation Resistance in Multicomponent Equiatomic Alloys
[abstract (pdf: 70.9 KB)]

Alexandra GORYAEVA ((CEA Saclay), France)
presentation title to follow
with Mihai Cosmin MĂRINICĂ

Christian HILL (IAEA)
The IAEA CascadesDB and DefectDB databases

Andrea SAND (Aalto University, Finland)
presentation title to follow

Marta SERRANO (Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Spain)
presentation title to follow

Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
Cascade simulations in W-Ni-Fe heavy alloys and DFT study of He interaction with transmutation solutes in nano ferritic alloys

Jiting TIAN (Institute of Nuclear Physics and Chemistry (CAEP), China)
presentation title to follow

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