Applying Quantum Mechanics to Alloy Design for Nuclear Reactor Steels

from Monday, 3 June 2013 (09:30) to Wednesday, 5 June 2013 (17:00)
Erskine Williamson Building (CSEC Seminar Room 3808)

        : Sessions
    /     : Talks
        : Breaks
3 Jun 2013
4 Jun 2013
5 Jun 2013
AM
09:30
The 1st meeting of the contact persons of the EERA Joint Programme on Nuclear Materials - Sub Project 4 (until 17:30) (CSEC Seminar Room 3808)
09:30 --- Tea/Coffee ---
10:00 Welcome and Overview of the JPNM and current SP4 DoW: Expectations from the meeting - Lorenzo Malerba (SCK.CEN)   (CSEC Seminar Room 3808)
Slides
10:30 Discussion of the DoW   (CSEC Seminar Room 3808)
11:00 Discussion of WP1 - Current Steels   (CSEC Seminar Room 3808)
11:15 Report on Current Activities at ENEA - Contributions to WP1 - Liquid Metal Corrosion - Massimo Angiolini (ENEA)   (CSEC Seminar Room 3808)
Slides
11:30 Report on Current Activities at CNRS - Contributions to WP1 and WP2 - Cristelle Pareige (Uni. Rouen)   (CSEC Seminar Room 3808)
Slides
11:45 Report on Current Activities at UKERC - Contributions to WP1, WP2 and WP3 - Brian Connolly (Uni. Birmingham)   (CSEC Seminar Room 3808)
Slides
12:00 Report on Current Activities at NRG - Contributions to WP1 - Darina Blagoeva (NRG)   (CSEC Seminar Room 3808)
Slides
12:15 Report on Current Activities at MPA - Contributions to WP1 - Austenitic Steels Modelling and Experiment - Ewa Soppa (MPA Uni. Stuttgart)   (CSEC Seminar Room 3808)
Slides
12:30 --- Lunch ---
13:30 Discussion of WP2 - ODS Steels   (CSEC Seminar Room 3808)
14:15 Report on Current Activities at KTH - Contributions to WP2 - ODS Steels Modelling - Pär Olsson (KTH)   (CSEC Seminar Room 3808)
Slides
14:30 Discussion of WP3 - Ceramics & refractory alloys   (CSEC Seminar Room 3808)
14:45 Report on Current Activities at ENEA - Contributions to WP3 - Multiscale Modelling of SiC/SiC - Massimo Angiolini (ENEA)   (CSEC Seminar Room 3808)
Slides
15:00 Discussion of WP4 - Coordination/Consolidation, Resource Sharing   (CSEC Seminar Room 3808)
15:30 Report on Current Activities at ENEA - Contributions to WP4 - ENEA Grid & JPNM Web Portal - Simonetta Pagnutti (ENEA)   (CSEC Seminar Room 3808)
Slides
15:45 Report on Current Activities at CIEMAT - Contributions to WP4 - Web Portal - Manuel Rubio del Solar (CETA-CIEMAT)   (CSEC Seminar Room 3808)
Slides
16:00 --- Tea/Coffee ---
16:15 Discussion of Milestones, Road-Mapping in FP7/MatISSE and Any Other Business   (CSEC Seminar Room 3808)
08:30
The 4th Workshop on Nuclear Fe Alloys: Modelling and Experiments (n-FAME) and 22nd Workshop on Fe-Cr Alloys (until 17:00) (CSEC Seminar Room 3808)
08:30 --- Tea/Coffee ---
09:00 Modeling of Radiation Induced Segregation in Dilute Fe-Cr Alloys - Frédéric Soission (CEA Saclay)   (CSEC Seminar Room 3808)
Slides
09:30 Transmission Electron Microscopy (TEM) investigation of the microstructure evolution under neutron and ion irradiation of FeCr alloys - Mercedes Hernández-Mayoral (CIEMAT)   (CSEC Seminar Room 3808)
Slides
10:00 A radiation-induced nanostructure evolution model for Fe-C, Fe-C-Cr and other alloys - Lorenzo Malerba (SCK.CEN)   (CSEC Seminar Room 3808)
Slides
10:30 A Direct Comparison of Fe6%Cr Subject to Ion and Neutron Irradiation - Christopher Hardie (CCFE)   (CSEC Seminar Room 3808)
Slides
Video
11:00 --- Tea/Coffee ---
11:30 Modeling of diffusion, segregation and decomposition of alloys using OKMC: Applications to FeCr - Ignacio Martin-Bragado (IMDEA)   (CSEC Seminar Room 3808)
Slides
12:00 Application of a three-featured dispersed-barrier hardening model to neutron-irradiated FeCr alloys - Frank Bergner (HZDR)   (CSEC Seminar Room 3808)
Slides
12:30 Ab initio study of basic properties of minor alloying elements in high-Cr ferritic steels - Lorenzo Malerba (SCK.CEN)   (CSEC Seminar Room 3808)
Slides
13:00 --- Lunch ---
14:00 Ab initio investigation of austenitic steels: The interplay of composition, magnetism and mechanical behaviour - Tilmann Hickel (MPIE)   (CSEC Seminar Room 3808)
Slides
14:30 Finally, a functional spin-polarized potential for alpha and gamma iron?!! - Janne Wallenius (KTH)   (CSEC Seminar Room 3808)
Slides
15:00 Quantum mechanical simulation of magnetic alloys: The correct tight-binding Hamiltonian - Marc Coury (Imperial College London)   (CSEC Seminar Room 3808)
15:30 --- Tea/Coffee ---
16:00 A New Mechanism of Loop Formation and Transformation in bcc Iron without Dislocation Reaction - Jiachao Chen (PSI)   (CSEC Seminar Room 3808)
Slides
16:30 SANS-TEM results correlation on irradiated steels - Roberto Coppola (ENEA)   (CSEC Seminar Room 3808)
Slides
08:30
The 4th Workshop on Nuclear Fe Alloys: Modelling and Experiments (n-FAME) and 22nd Workshop on Fe-Cr Alloys (until 17:00) (CSEC Seminar Room 3808)
08:30 --- Tea Coffee ---
09:00 A mystery of dissipative motion of radiation defects and dislocations - Sergei Dudarev (CCFE)   (CSEC Seminar Room 3808)
Slides
09:30 Diffusion of point defects and SIA clusters in dilute Fe-Ni alloys - Anna Serra (Uni. Catalunya)   (CSEC Seminar Room 3808)
Slides
Video
10:00 Modelling of Dislocation Bias in FCC Materials - Zhongwen Chang (KTH)   (CSEC Seminar Room 3808)
Slides
10:30 Modelling of phase diagrams of iron alloys - Mikhail Lavrentiev (CCFE)   (CSEC Seminar Room 3808)
Slides
11:00 --- Tea/Coffee ---
11:30 HPC Issues for DFT Calculations - Adrian Jackson (EPCC Uni. Edinburgh)   (CSEC Seminar Room 3808)
Slides
12:00 Modelling of Vacancy-Mediated Diffusion in bcc Iron-Based Dilute Alloys - Pär Olsson (KTH)   (CSEC Seminar Room 3808)
Slides
12:30 First-principles modelling of phase stability in ternary Fe-Cr-Ni alloys - Duc Nguyen-Manh (CCFE)   (CSEC Seminar Room 3808)
13:00 --- Lunch ---
14:00 Object kinetic Monte Carlo for concentrated alloys - Maria-Jose Caturla (Uni. Alicante)   (CSEC Seminar Room 3808)
Slides
14:30 Processing ODS steels and microstructure characterization - Hongtao Zhang (Uni. Oxford)   (CSEC Seminar Room 3808)
Slides
15:00 Charaterization of He implanted Eurofer97 - Inês Carvalho (M2i/NRG)   (CSEC Seminar Room 3808)
Slides
15:30 --- Tea/Coffee ---
16:00 Ab initio study of transition metal solutes in austenite - Derek Hepburn (Uni. Edinburgh)   (CSEC Seminar Room 3808)
Slides
16:30 Microstructural modelling of hydrogen transport in polycrystalline materials - Sathiskumar Jothi (Uni. Swansea)   (CSEC Seminar Room 3808)
PM
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