5th Meeting of the CCN

Meeting Report

The 5th biennial meeting of the Code Centres Network, 16 – 17 November 2017, was held at IAEA Headquarters in Vienna, Austria. The Scientific Secretary was Christian Hill (Unit Head, Atomic and Molecular Data Unit, IAEA).

CCN 5 group photo

Agenda

Thursday, 16 November 2017

09:30 – 09:45Christian HILL (IAEA): Opening Remarks
09:45 – 10:00Sergei L. DUDAREV and Andrea SAND: General Meeting Objectives
10:00 – 10:30Andrea SAND (Department of Physics, University of Helsinki, Finland)
Energetic cascades in tungsten: sensitivity to interatomic potentials and electronic effects
[presentation (pdf: 17.6 MB)]
10:30 – 11:00Wangyu HU (Hunan University, China)
The analytic embedded atom method and its application to computer simulations for radiation damage
[presentation (pdf: 6.6 MB)]
11:00 – 11:15Coffee Break
11:15 – 11:45Roman VOSKOBOYNIKOV (Kurchatov Institute, Russia)
An MD study of primary damage in structural materials exposed to fast particle irradiation in the nuclear stopping power regime
11:45 – 12:15María J. CATURLA (Department of Applied Physics, University of Alicante, Spain)
Damage distribution in f.c.c. and b.c.c. metals from molecular dynamics and its influence on microstructure evolution
[presentation (pdf: 6.7 MB)]
12:15 – 14:00Lunch
14:00 – 14:30SONEDA Naoki (Materials Science Research Laboratory, Central Research Institute of Electric Power Industry (CRIEPI), Japan)
Displacement cascade database for PKA energies up to 50 keV in bcc-Fe
[presentation (pdf: 2.2 MB)]
14:30 – 15:00Fei GAO (Department of Nuclear Engineering and Radiological Science, University of Michigan, United States of America)
Vacancy and Interstitial Loops Generated by High Energy Cascades and Their Mobilities in Fe
15:00 – 15:30Kai NORDLUND (Department of Physics, University of Helsinki, Finland)
Molecular dynamics simulations of collision cascades: method development and results from 1993 on
[presentation (pdf: 3.9 MB)]
15:30 – 15:45Coffee Break
15:45 – 16:15Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
Cascade Morphologies in bcc Metals
[presentation (pdf: 11.9 MB)]
16:15 – 16:45Christophe DOMAIN (EDF R&D Lab Les Renardières, France)
Cascades by molecular dynamics in metals: interatomic potentials and BCA comparison, statistics
[presentation (pdf: 4.4 MB)]
16:45 – 17:15Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Post-processing MD simulations to identify defects, their trajectories and clustering in LAMMPS
[presentation (pdf: 5.2 MB)]

Friday, 17 November 2017

09:30 – 10:00Sergei DUDAREV (Culham Centre for Fusion Energy, United Kingdom)
Real-space models for microstructure and the need for a cascade database
[presentation (pdf: 3.4 MB)]
10:00 – 10:30Jean-Christophe SUBLET: The structure of the IAEA neutron cross section database
10:30 – 10:45Coffee Break
10:45 – 12:15Scientific challenges and the accumulation of data (discussion, all participants)
12:15 – 14:00Lunch and Internal Meeting
14:00 – 14:15Christian HILL (IAEA)
Accumulation of data at the IAEA and means of access of the CascadesDB database
[presentation (pdf: 1.9 MB)]
14:15 – 15:30Active points and next steps (discussion, all participants)
15:30 – 15:45Coffee Break
15:45 – 17:00Concluding remarks; any other business; closure of the meeting

Presentations

María J. CATURLA (Department of Applied Physics, University of Alicante, Spain)
Damage distribution in f.c.c. and b.c.c. metals from molecular dynamics and its influence on microstructure evolution
[presentation (pdf: 6.7 MB)]

Christophe DOMAIN (EDF R&D Lab Les Renardières, France)
Cascades by molecular dynamics in metals: interatomic potentials and BCA comparison, statistics
[presentation (pdf: 4.4 MB)]

Sergei DUDAREV (Culham Centre for Fusion Energy, United Kingdom)
Real-space models for microstructure and the need for a cascade database
[presentation (pdf: 3.4 MB)]

Fei GAO (Department of Nuclear Engineering and Radiological Science, University of Michigan, United States of America)
Vacancy and Interstitial Loops Generated by High Energy Cascades and Their Mobilities in Fe

Christian HILL (IAEA)
Accumulation of data at the IAEA and means of access of the CascadesDB database
[presentation (pdf: 1.9 MB)]

Wangyu HU (Hunan University, China)
The analytic embedded atom method and its application to computer simulations for radiation damage
[presentation (pdf: 6.6 MB)]

Kai NORDLUND (Department of Physics, University of Helsinki, Finland)
Molecular dynamics simulations of collision cascades: method development and results from 1993 on
[presentation (pdf: 3.9 MB)]

Andrea SAND (Department of Physics, University of Helsinki, Finland)
Energetic cascades in tungsten: sensitivity to interatomic potentials and electronic effects
[presentation (pdf: 17.6 MB)]

Wahyu SETYAWAN (Pacific Northwest National Laboratory, United States of America)
Cascade Morphologies in bcc Metals
[presentation (pdf: 11.9 MB)]

SONEDA Naoki (Materials Science Research Laboratory, Central Research Institute of Electric Power Industry (CRIEPI), Japan)
Displacement cascade database for PKA energies up to 50 keV in bcc-Fe
[presentation (pdf: 2.2 MB)]

Roman VOSKOBOYNIKOV (Kurchatov Institute, Russia)
An MD study of primary damage in structural materials exposed to fast particle irradiation in the nuclear stopping power regime

Manoj Kumar WARRIER (Computational Analysis Division, Bhabha Atomic Research Centre, India)
Post-processing MD simulations to identify defects, their trajectories and clustering in LAMMPS
[presentation (pdf: 5.2 MB)]