www.PERFORM60.net

The staff allocated to research activities at the ULB amounts at about 6000 people -including academic Professors and researchers. Research at the ULB is organized through more than 400 Research Units and participates to more than 70 European projects in the 6th framework programme. Among these, the Laboratoire de Physique des Solides Irradiés et des Nanostructures (PSIN), directly involved in the present project, is part of the Faculty of Science of ULB. The activity of PSIN focuses on the atomic scale and multiscale modelling in physics of materials with particular emphasis on radiation damage and on the science of nanostructured materials. Since two decades, PSIN took part in all European framework programs and, as FP6 is concerned, it was participating in the PERFECT integrated project and the SIRENA thematic project. PSIN was also a member of the ITEM thematic network. In FP7, PSIN takes part in the GETMAT project.

Expertise: Classical molecular dynamics (NVH, NVT, NPT and NT statistical ensembles or with electron-phonon coupling), the binary collision approximation of molecular dynamics (BCA), Metropolis Monte Carlo in the canonical NVP and NPT ensembles and semi-grand canonical µ-NVT and the µ-NPT ensembles.

Contribution:

SP-1: Computation of displacement cascades in the binary collision approximation - Cascades by BCA – Computation of Equilibrium segregation by Metropolis Monte Carlo with relaxation.

SP-2: Assessment of use of BCA and randomized cascades as source terms for coarse-grained models in Fe alloys.

Resources: One cluster of workstations including one front end, one file server, 44 nodes (single processors), one Gigabit network and switch, 66 GB RAM and 2.2 TB hard disk memories and MPI software installed. Three stand-alone workstations, 10 PCs.