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Joint ICTP-IAEA Workshop on Non-adiabatic Dynamics and Radiation Damage in Nuclear Materials | (smr 2260)
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  • Monday, 14 November 2011
    • 09:00 - 10:00 Registration and administrative formalities
      Location: Leonardo da Vinci Building, Lobby
      • 09:00 Registration and administrative formalities 1h0'
    • 10:00 - 11:00 Introduction and opening
      • 10:00 Introduction and opening 1h0'
        Speaker: V. Inozemtsev (IAEA), S. Scandolo (ICTP)
        Material: Presentation
    • 11:00 - 11:30 Coffee break
      • 11:00 Coffee break 30'
    • 11:30 - 12:30 Experimental quantification of radiation damage in ceramics
      • 11:30 Experimental quantification of radiation damage in ceramics 1h0'
        Speaker: I. Farnan (Univ. Cambridge, UK)
    • 12:30 - 14:00 Lunch break
      • 12:30 Lunch break 1h30'
    • 14:00 - 15:00 Electronic structure: basics and DFT
      • 14:00 Electronic structure: basics and DFT 1h0'
        Speaker: J. Kohanoff (Queen's Univ. Belfast, UK)
        Material: Presentation
    • 15:00 - 15:30 Time-evolving TD-DFT for time-dependent electronic problems
      • 15:00 Time-evolving TD-DFT for time-dependent electronic problems 30'
        Speaker: E. Artacho (Univ. Cambridge, UK)
        Material: Presentation
    • 15:30 - 16:00 Materials challenges in the nuclear industry: steels
      • 15:30 Materials challenges in the nuclear industry: steels 30'
        Speaker: A. Caro (Los Alamos National Lab., USA)
    • 16:00 - 16:30 Coffee break
      • 16:00 Coffee break 30'
    • 16:30 - 17:30 Empirical force fields for nuclear materials
      • 16:30 Empirical force fields for nuclear materials 1h0'
        Speaker: A. Caro (Los Alamos National Lab., USA)
  • Tuesday, 15 November 2011
    • 09:00 - 10:00 Introduction to Molecular Dynamics simulations
      • 09:00 Introduction to Molecular Dynamics simulations 1h0'
        Speaker: F. Willaime (CEA Saclay, France)
        Material: Presentation
    • 10:00 - 11:00 An introduction to radiation damage physics
      • 10:00 An introduction to radiation damage physics 1h0'
        Speaker: M. Victoria (Univ. Politecnica Madrid, Spain)
    • 11:00 - 11:30 Coffee break
      • 11:00 Coffee break 30'
    • 11:30 - 12:30 The electron-phonon problem in metals
      • 11:30 The electron-phonon problem in metals 1h0'
        Speaker: A. Caro (Los Alamos National Lab., USA)
    • 12:30 - 14:00 Lunch break
      • 12:30 Lunch break 1h30'
    • 14:00 - 15:00 Electronic stopping: background and simulation methods
      • 14:00 Electronic stopping: background and simulation methods 1h0'
        Speaker: M. Foulkes (Imperial College London, UK)
        Material: Presentation
    • 15:00 - 16:00 Stopping power of projectiles shooting through materials: Predicting the rate of electron heating in radiation damage events
      • 15:00 Stopping power of projectiles shooting through materials: Predicting the rate of electron heating in radiation damage events 1h0'
        Speaker: E. Artacho (Univ. Cambridge, UK)
    • 16:00 - 16:30 Coffee break
      • 16:00 Coffee break 30'
    • 16:30 - 17:30 Electronic structure calculations in materials for nuclear energy
      • 16:30 Electronic structure calculations in materials for nuclear energy 1h0'
        Speaker: F. Willaime (CEA Saclay, France)
    • 19:30 - 21:30 Welcome Reception
      • 19:30 Welcome Reception 2h0'
  • Wednesday, 16 November 2011
    • 09:00 - 10:00 Experimental validation of radiation damage models
      • 09:00 Experimental validation of radiation damage models 1h0'
        Speaker: M. Victoria (Univ. Politecnica Madrid, Spain)
    • 10:00 - 11:00 Tight-binding Ehrenfest molecular dynamics studies of electronic stopping in metals
      • 10:00 Tight-binding Ehrenfest molecular dynamics studies of electronic stopping in metals 1h0'
        Speaker: M. Foulkes (Imperial College London, UK)
        Material: Presentation
    • 11:00 - 11:30 Coffee break
      • 11:00 Coffee break 30'
    • 11:30 - 12:30 Applications of small-angle neutron scattering (SANS) in the microstructural investigation of irradiated nuclear steels
      • 11:30 Applications of small-angle neutron scattering (SANS) in the microstructural investigation of irradiated nuclear steels 1h0'
        Speaker: R. Coppola (ENEA-Casaccia, Rome, Italy)
        Material: Presentation
    • 12:30 - 14:00 Lunch break
      • 12:30 Lunch break 1h30'
    • 14:00 - 15:00 Theoretical modeling of the influence of swift heavy ion irradiation on materials: thermal spike vs. Coulomb explosion
      • 14:00 Theoretical modeling of the influence of swift heavy ion irradiation on materials: thermal spike vs. Coulomb explosion 1h0'
        Speaker: A. Ryazanov (Kurchatov Institute, Moscow, Russia)
        Material: Presentation
    • 15:00 - 16:00 Atomistic simulations of radiation effects in the electronic regime
      • 15:00 Atomistic simulations of radiation effects in the electronic regime 1h0'
        Speaker: E. Bringa (Univ. Nacional de Cuyo Mendoza, Argentina)
        Material: Presentation
    • 16:00 - 16:30 Coffee break
      • 16:00 Coffee break 30'
    • 16:30 - 17:00 Electronic structure: computational methods
      • 16:30 Electronic structure: computational methods 30'
        Speaker: J. Kohanoff (Queen's Univ. Belfast, UK)
        Material: Presentation
    • 17:00 - 17:30 Electronic stopping power with TDDFT: From dielectric models to real time propagators
      • 17:00 Electronic stopping power with TDDFT: From dielectric models to real time propagators 30'
        Speaker: A. Correa (Lawrence Livermore National Laboratory, USA)
        Material: Presentation
    • 17:30 - 19:00 Poster session
      Location: Leonardo da Vinci Building, Lobby
      • 17:30 Poster session 1h30'
  • Thursday, 17 November 2011
    • 09:00 - 10:00 Nonlinear magnetic dynamics and fluctuations
      • 09:00 Nonlinear magnetic dynamics and fluctuations 1h0'
        Speaker: A. Solontsov (State Center for Condensed Matter Physics, Moscow, Russia)
        Material: Presentation
    • 10:00 - 11:00 Charge state effects of radiation damage on microstructure evolution in dielectric materials under neutron and charged particle irradiation
      • 10:00 Charge state effects of radiation damage on microstructure evolution in dielectric materials under neutron and charged particle irradiation 1h0'
        Speaker: A. Ryazanov (Kurchatov Institute, Moscow, Russia)
        Material: Presentation
    • 10:30 - 11:00 Coffee break
      • 10:30 Coffee break 30'
    • 11:30 - 12:00 Modeling of the electronic dynamics in swift heavy ion irradiated semiconductor materials
      • 11:30 Modeling of the electronic dynamics in swift heavy ion irradiated semiconductor materials 30'
        Speaker: T. Apostolova (Institute for Nuclear Research and Nuclear Energy, Sofia, Bulgaria)
        Material: Presentation
    • 12:00 - 12:30 Calculated Magnetic Structure in Irradiated Fe
      • 12:00 Calculated Magnetic Structure in Irradiated Fe 30'
        Speaker: D. Nicholson (Oak Ridge National Laboratory, USA)
        Material: Presentation
    • 12:30 - 14:00 Lunch break
      • 12:30 Lunch break 1h30'
    • 14:00 - 15:00 Why go beyond Ehrenfest? Two-way energy transfer between electrons and ions
      • 14:00 Why go beyond Ehrenfest? Two-way energy transfer between electrons and ions 1h0'
        Speaker: A. Fisher (University College London, UK)
        Material: Presentation
    • 15:00 - 16:00 A Langevin approach to nonadiabatic molecular dynamics
      • 15:00 A Langevin approach to nonadiabatic molecular dynamics 1h0'
        Speaker: J. Lu (Technical University of Denmark)
        Material: Presentation
    • 16:00 - 16:30 Coffee break
      • 16:00 Coffee break 30'
    • 16:30 - 17:30 Excitations of the electron Fermi liquid
      • 16:30 Excitations of the electron Fermi liquid 1h0'
        Speaker: A. Solontsov (State Center for Condensed Matter Physics, Moscow, Russia)
        Material: Presentation
  • Friday, 18 November 2011
    • 09:00 - 10:00 A route beyond Ehrenfest: Correlated electron-ion dynamics
      • 09:00 A route beyond Ehrenfest: Correlated electron-ion dynamics 1h0'
        Speaker: A. Fisher (University College London, UK)
        Material: Presentation
    • 10:00 - 11:00 Correlated Electron-Ion Dynamics for resonant systems: High order expansion and applications to simple models
      • 10:00 Correlated Electron-Ion Dynamics for resonant systems: High order expansion and applications to simple models 1h0'
        Speaker: L. Stella (Univ. del Pais Vasco San Sebastian, Spain)
        Material: Presentation
    • 11:00 - 11:30 Presentations by participants
      • 11:00 Presentations by participants 30'
        Speaker: P. W. Ma (Culham Science Centre, , UK) & E. Semenov (Kurchatov Institute, Russia)
        Material: Presentation
    • 11:30 - 12:00 Coffee break
      • 11:30 Coffee break 30'
    • 12:00 - 12:30 Radiation damage in structural materials for GenIV and fusion reactors
      • 12:00 Radiation damage in structural materials for GenIV and fusion reactors 30'
        Speaker: L. Malerba (SKC.CEN, Belgium)
        Material: Presentation
    • 12:30 - 13:00 Beyond the displacement cascade: Nanostructural evolution in metals under irradiation and correlation with mechanical properties
      • 12:30 Beyond the displacement cascade: Nanostructural evolution in metals under irradiation and correlation with mechanical properties 30'
        Speaker: L. Malerba (SKC.CEN, Belgium)
        Material: Presentation
    • 13:00 - 13:30 Closing, Round table discussion. Challenges ahead.
      • 13:00 Closing, Round table discussion. Challenges ahead. 30'
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