5th Meeting of the CCN

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).

Meeting Report


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: Energetic cascades in tungsten: sensitivity to interatomic potentials and electronic effects
[presentation (pdf: 17.6 MB)]
10:30 – 11:00Wangyu HU: 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: 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: 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)]
12:14 – 14:00Lunch
14:00 – 14:30SONEDA Naoki: Displacement cascade database for PKA energies up to 50 keV in bcc-Fe
[presentation (pdf: 2.2 MB)]
14:30 – 15:00Fei GAO: Vacancy and Interstitial Loops Generated by High Energy Cascades and Their Mobilities in Fe
15:00 – 15:30Kai NORDLUND: 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: Cascade Morphologies in bcc Metals
[presentation (pdf: 11.9 MB)]
16:15 – 16:45Christophe DOMAIN: Cascades by molecular dynamics in metals: interatomic potentials and BCA comparison, statistics
16:45 – 17:15Manoj Kumar WARRIER: 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: 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: 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
CCN 5 group photo