Name: Applying Quantum Mechanics to Alloy Design for Nuclear Reactor Steels
Start: 2013-06-03T09:30:00+01:00
End: 2013-06-05T17:00:00+01:00
Location: Erskine Williamson Building

Applying Quantum Mechanics to Alloy Design for Nuclear Reactor Steels

from Monday, 3 June 2013 (09:30) to Wednesday, 5 June 2013 (17:00)

Monday, 3 June 2013
09:30 JPNM/SP4
JPNM/SP4
09:30 - 17:30
Room: CSEC Seminar Room 3808
Contributions

10:00 Welcome and Overview of the JPNM and current SP4 DoW: Expectations from the meeting - Lorenzo Malerba (SCK.CEN)

10:30 Discussion of the DoW

11:00 Discussion of WP1 - Current Steels

11:15 Report on Current Activities at ENEA - Contributions to WP1 - Liquid Metal Corrosion - Massimo Angiolini (ENEA)

11:30 Report on Current Activities at CNRS - Contributions to WP1 and WP2 - Cristelle Pareige (Uni. Rouen)

11:45 Report on Current Activities at UKERC - Contributions to WP1, WP2 and WP3 - Brian Connolly (Uni. Birmingham)

12:00 Report on Current Activities at NRG - Contributions to WP1 - Darina Blagoeva (NRG)

12:15 Report on Current Activities at MPA - Contributions to WP1 - Austenitic Steels Modelling and Experiment - Ewa Soppa (MPA Uni. Stuttgart)

13:30 Discussion of WP2 - ODS Steels

14:15 Report on Current Activities at KTH - Contributions to WP2 - ODS Steels Modelling - Pär Olsson (KTH)

14:30 Discussion of WP3 - Ceramics & refractory alloys

14:45 Report on Current Activities at ENEA - Contributions to WP3 - Multiscale Modelling of SiC/SiC - Massimo Angiolini (ENEA)

15:00 Discussion of WP4 - Coordination/Consolidation, Resource Sharing

15:30 Report on Current Activities at ENEA - Contributions to WP4 - ENEA Grid & JPNM Web Portal - Simonetta Pagnutti (ENEA)

15:45 Report on Current Activities at CIEMAT - Contributions to WP4 - Web Portal - Manuel Rubio del Solar (CETA-CIEMAT)

16:15 Discussion of Milestones, Road-Mapping in FP7/MatISSE and Any Other Business
Tuesday, 4 June 2013
08:30 Day 1
Day 1
08:30 - 17:00
Room: CSEC Seminar Room 3808
Contributions

09:00 Modeling of Radiation Induced Segregation in Dilute Fe-Cr Alloys - Frédéric Soission (CEA Saclay)

09:30 Transmission Electron Microscopy (TEM) investigation of the microstructure evolution under neutron and ion irradiation of FeCr alloys - Mercedes Hernández-Mayoral (CIEMAT)

10:00 A radiation-induced nanostructure evolution model for Fe-C, Fe-C-Cr and other alloys - Lorenzo Malerba (SCK.CEN)

10:30 A Direct Comparison of Fe6%Cr Subject to Ion and Neutron Irradiation - Christopher Hardie (CCFE)

11:30 Modeling of diffusion, segregation and decomposition of alloys using OKMC: Applications to FeCr - Ignacio Martin-Bragado (IMDEA)

12:00 Application of a three-featured dispersed-barrier hardening model to neutron-irradiated FeCr alloys - Frank Bergner (HZDR)

12:30 Ab initio study of basic properties of minor alloying elements in high-Cr ferritic steels - Lorenzo Malerba (SCK.CEN)

14:00 Ab initio investigation of austenitic steels: The interplay of composition, magnetism and mechanical behaviour - Tilmann Hickel (MPIE)

14:30 Finally, a functional spin-polarized potential for alpha and gamma iron?!! - Janne Wallenius (KTH)

15:00 Quantum mechanical simulation of magnetic alloys: The correct tight-binding Hamiltonian - Marc Coury (Imperial College London)

16:00 A New Mechanism of Loop Formation and Transformation in bcc Iron without Dislocation Reaction - Jiachao Chen (PSI)

16:30 SANS-TEM results correlation on irradiated steels - Roberto Coppola (ENEA)
Wednesday, 5 June 2013
08:30 Day 2
Day 2
08:30 - 17:00
Room: CSEC Seminar Room 3808
Contributions

09:00 A mystery of dissipative motion of radiation defects and dislocations - Sergei Dudarev (CCFE)

09:30 Diffusion of point defects and SIA clusters in dilute Fe-Ni alloys - Anna Serra (Uni. Catalunya)

10:00 Modelling of Dislocation Bias in FCC Materials - Zhongwen Chang (KTH)

10:30 Modelling of phase diagrams of iron alloys - Mikhail Lavrentiev (CCFE)

11:30 HPC Issues for DFT Calculations - Adrian Jackson (EPCC Uni. Edinburgh)

12:00 Modelling of Vacancy-Mediated Diffusion in bcc Iron-Based Dilute Alloys - Pär Olsson (KTH)

12:30 First-principles modelling of phase stability in ternary Fe-Cr-Ni alloys - Duc Nguyen-Manh (CCFE)

14:00 Object kinetic Monte Carlo for concentrated alloys - Maria-Jose Caturla (Uni. Alicante)

14:30 Processing ODS steels and microstructure characterization - Hongtao Zhang (Uni. Oxford)

15:00 Charaterization of He implanted Eurofer97 - Inês Carvalho (M2i/NRG)

16:00 Ab initio study of transition metal solutes in austenite - Derek Hepburn (Uni. Edinburgh)

16:30 Microstructural modelling of hydrogen transport in polycrystalline materials - Sathiskumar Jothi (Uni. Swansea)