MoD-PMI 7: International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices

The International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (MoD-PMI 2025) will be organized in cooperation with the International Atomic Energy Agency (IAEA) for the seventh time. The event, which will be held at the Vienna International Centre in Vienna, Austria from 26 – 28 May 2025, will bring together researchers from the areas of fusion energy and materials science to review advances, both experimental and in modelling, in the study and understanding of processes relevant to plasma-material interaction (PMI) relevant for fusion devices and reactors.

MoD-PMI is a satellite workshop for the International Conference in Plasma-Facing Materials and Components (PFMC). The 20th PFMC is organized from 19 – 23 May 2025 in Ljubljana, Slovenia.

Further information about the workshop and information on how to register will be provided soon.

Topics

  • Direct use of first-principles approaches (DFT and beyond).

  • Applications of multi-scale methodologies.

  • Machine learning methods for materials data prediction.

  • PMI and neutron irradiation effects to material surface composition, morphology and microstructure evolution.

  • Experimental PMI data for modelling: sputtering mechanisms, implantations, spectroscopy, microscopy, etc.

Audience

Research scientists related to nuclear fusion, at any stage of their career, who are involved in the quantitative and qualitative study, measurement, analysis, modelling, simulation or prediction of processes in plasma-material interactions in fusion devices, using or producing fundamental data on these processes. Experimental and theoretical approaches are welcomed.

The IAEA is committed to the promotion of gender equality in all its activities and qualified women scientists are particularly encouraged to participate in the meeting.

Registration

For further details and to participate in this meeting, please visit the event's Indico page.

There is no registration fee for this event.

Guide to the Vienna International Centre for Meeting Participants

Agenda

Note: all times are given in Central European Summer Time (CEST, UTC+02:00).

Monday, 26 May 2025

09:15 – 09:35Kalle HEINOLA (Atomic and Molecular Data Unit, NAPC, IAEA), Arjan KONING (Nuclear Data Section, NAPC, IAEA)
Welcome and Meeting Opening
09:35 – 10:05Raquel GONZALEZ-ARRABAL (Universidad Politécnica de Madrid, Spain)
Alternative plasma facing material for nuclear fusion reactors
[abstract (pdf)]
10:05 – 10:35Makoto KOBAYASHI (National Institute for Fusion Science, Japan)
Experiments and modeling of hydrogen isotope inventory in damaged tungsten
[abstract (pdf)]
10:35 – 10:55Yves FERRO (Physique des Interactions Ioniques et Moléculaires (PIIM), Aix-Marseille Université (AMU), France)
A kinetic model based on DFT for H atoms transport at the W/Cu interface
[abstract (pdf)]
10:55 – 11:25Coffee Break
11:25 – 11:55Gábor CSÁNYI (Department of Engineering, University of Cambridge, United Kingdom)
A foundation model for atomistic materials chemistry
[abstract (pdf)]
11:55 – 12:25Younggak SHIN (Yonsei University, South Korea)
From Grains to Gigabytes: Generating Massive Virtual Specimens for Irradiation Damage Study
[abstract (pdf)]
12:25 – 12:55Maylise NASTAR ((CEA Saclay), France)
Point-Defect-Induced Metastable Phase Diagrams
[abstract (pdf)]
12:55 – 13:15Duc NGUYEN-MANH (United Kingdom Atomic Energy Authority, United Kingdom)
Microstructure impact on tritium retention and permeation in tungsten/oxide interface from first-principles based phase field modelling
[abstract (pdf)]
13:15 – 14:30Lunch
14:30 – 15:00Sabina MARKELJ (Jožef Stefan Institute, Slovenia)
Detection of defects in displacement-damaged tungsten and iron
[abstract (pdf)]
15:00 – 15:30Marie France BARTHE (Conditions Extrêmes et Matériaux : Haute Température et Irradiation, CNRS Orleans Campus, France)
Positron Annihilation Spectroscopy for vacancy defects studies in irradiated tungsten: Combination of modelling and experiments for vacancy size distribution and impurities interaction determination
[abstract (pdf)]
15:30 – 15:50Etienne A. HODILLE (Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France)
Impact of the trapping model on Tritium retention and permeation in DEMO Tungsten/Eurofer First Wall
[abstract (pdf)]
15:50 – 16:20Coffee Break
16:20 – 16:50Katsuyuki FUKUTANI (University of Tokyo, Japan)
Adsorption and in-diffusion of Hydrogen at metal and metal oxide surfaces
[abstract (pdf)]
16:50 – 17:20Long CHENG (Beihang University, China)
Interface-induced enhanced deuterium plasma-driven permeation in chemical vapor deposition tungsten-copper composite
[abstract (pdf)]

Tuesday, 27 May 2025

09:00 – 09:30Aidan THOMPSON (Sandia National Laboratories, United States of America)
Quantum-accurate large-scale atomistic simulation of fusion materials with LAMMPS and FitSNAP
[abstract (pdf)]
09:30 – 10:00Luca MESSINA (Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France)
Multiscale modeling of diffusion phenomena in nuclear fuels : from the atomic scale to phase-field polycristalline microstructure evolution simulations
10:00 – 10:20Sanjeet KAUR (United Kingdom Atomic Energy Authority, United Kingdom)
Multi-scale modelling of hydrogen isotopes retention and diffusion in highly irradiated materials
[abstract (pdf)]
10:20 – 11:00Coffee Break
11:00 – 11:30Jan JANSSEN (Max Planck Institute for Sustainable Materials, Germany)
Machine Learned Interatomic Potentials for Extreme Environments
[abstract (pdf)]
11:30 – 12:00Seiki SAITO (Yamagata University, Japan)
Towards Advanced Wall Modeling Using Machine Learning and Its Integration with Neutral Transport Simulations
[abstract (pdf)]
12:00 – 12:20Takuji ODA (College of Nuclear Engineering, Seoul National University, South Korea)
Applying machine learning potential models to the study of hydrogen in metals: accurate property calculations, complex dynamics simulations, and challenges
[abstract (pdf)]
12:20 – 13:50Lunch
13:50 – 14:20Ralf DRAUTZ (Ruhr University Bochum, Germany)
GRACE universal interatomic potential for materials discovery and design
[abstract (pdf)]
14:20 – 14:50Zhangcan YANG (Huazhong University of Science and Technology, China)
Sensitivity analysis and optimization of multi-scale models for microstructural evolution in metal materials under neutron irradiation
[abstract (pdf)]
14:50 – 15:10Udo VON TOUSSAINT (Max Planck Institute for Plasma Physics, Garching, Germany)
Trap-diffusion modelling of diffusion in restricted geometries
[abstract (pdf)]
15:10 – 15:50Coffee Break
15:50 – 16:20Utkarsh BHARDWAJ (Computational Analysis Division, Bhabha Atomic Research Centre, India)
MD simulations of high-dose irradiation in Tungsten: The Role of Defect Boundary and Morphology
[abstract (pdf)]
16:20 – 16:40Olga OGORODNIKOVA (National Research Nuclear University MEPhI, Russia)
Transport and deuterium interaction with defects in W, EUROFER and W-Cr-Y alloys damaged by heavy ions
[abstract (pdf)]
16:40 – 17:00Dmitry MATVEEV (Forschungszentrum Jülich (FZJ), Germany)
Vacancy dynamics and hydrogen retention in beryllium
[abstract (pdf)]

Wednesday, 28 May 2025

09:00 – 09:30Mikhail ZIBROV (Max Planck Institute for Plasma Physics, Garching, Germany)
Deuterium trapping and release from high-temperature ion irradiated tungsten: experiments and reaction-diffusion simulations
[abstract (pdf)]
09:30 – 10:00Xiu-Li ZHU (North China Electric Power University, China)
Deuterium Retention Behavior in Tungsten After Plasma Exposure at Varying Temperatures
[abstract (pdf)]
10:00 – 10:30Fredric GRANBERG (Department of Physics, University of Helsinki, Finland)
Deuterium effect on defect evolution in tungsten, from bulk to surfaces
[abstract (pdf)]
10:30 – 11:10Coffee Break
11:10 – 11:40Matthew NUTTER (Warwick University, United Kingdom)
Investigating the Influence of Helium on Screw Dislocation Mobility in Tungsten
[abstract (pdf)]
11:40 – 12:00Robert KOLASINKI (Sandia National Laboratories, United States of America)
Surface Characterization of Advanced Tungsten and Ceramic Plasma-Facing Materials
[abstract (pdf)]
12:00 – 12:20Javier DOMINGUEZ GUTIERREZ (National Center for Nuclear Research, Poland)
Nanoindentation and Defect Behavior in Irradiated FCC NiFe Alloys: Experimental Insights and Atomistic Modelling
[abstract (pdf)]
12:20 – 13:00Discussion
13:00 – 13:10Meeting Close

Participants

35 participants from 14 countries.

NameInstitution
Marie France BARTHE Conditions Extrêmes et Matériaux : Haute Température et Irradiation, CNRS Orleans Campus, France
Utkarsh BHARDWAJ Computational Analysis Division, Bhabha Atomic Research Centre, India
Long CHENG Beihang University, China
Gábor CSÁNYI Department of Engineering, University of Cambridge, United Kingdom
Javier DOMINGUEZ GUTIERREZ National Center for Nuclear Research, Poland
Ralf DRAUTZ Ruhr University Bochum, Germany
Yves FERRO Physique des Interactions Ioniques et Moléculaires (PIIM), Aix-Marseille Université (AMU), France
Katsuyuki FUKUTANI University of Tokyo, Japan
Raquel GONZALEZ-ARRABAL Universidad Politécnica de Madrid, Spain
Fredric GRANBERG Department of Physics, University of Helsinki, Finland
Etienne A. HODILLE Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France
Jan JANSSEN Max Planck Institute for Sustainable Materials, Germany
Sanjeet KAUR United Kingdom Atomic Energy Authority, United Kingdom
Makoto KOBAYASHI National Institute for Fusion Science, Japan
Robert KOLASINKI Sandia National Laboratories, United States of America
Sabina MARKELJ Jožef Stefan Institute, Slovenia
Dmitry MATVEEV Forschungszentrum Jülich (FZJ), Germany
Luca MESSINA Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France
Maylise NASTAR (CEA Saclay), France
Duc NGUYEN-MANH United Kingdom Atomic Energy Authority, United Kingdom
Matthew NUTTER Warwick University, United Kingdom
Takuji ODA College of Nuclear Engineering, Seoul National University, South Korea
Olga OGORODNIKOVA National Research Nuclear University MEPhI, Russia
Seiki SAITO Yamagata University, Japan
Younggak SHIN Yonsei University, South Korea
Aidan THOMPSON Sandia National Laboratories, United States of America
Udo VON TOUSSAINT Max Planck Institute for Plasma Physics, Garching, Germany
Zhangcan YANG Huazhong University of Science and Technology, China
Xiu-Li ZHU North China Electric Power University, China
Mikhail ZIBROV Max Planck Institute for Plasma Physics, Garching, Germany
Kalle HEINOLA IAEA
Christian LINSMEIER Forschungszentrum Jülich (FZJ), Germany
Bastiaan BRAAMS Centrum Wiskunde and Informatica, Netherlands
Yves FERRO Physique des Interactions Ioniques et Moléculaires (PIIM), Aix-Marseille Université (AMU), France
Dmitry MATVEEV Forschungszentrum Jülich (FZJ), Germany

Presentations

There are 30 presentations at this event.

Marie France BARTHE (Conditions Extrêmes et Matériaux : Haute Température et Irradiation, CNRS Orleans Campus, France)
Positron Annihilation Spectroscopy for vacancy defects studies in irradiated tungsten: Combination of modelling and experiments for vacancy size distribution and impurities interaction determination
[abstract (pdf)]

Utkarsh BHARDWAJ (Computational Analysis Division, Bhabha Atomic Research Centre, India)
MD simulations of high-dose irradiation in Tungsten: The Role of Defect Boundary and Morphology
[abstract (pdf)]

Long CHENG (Beihang University, China)
Interface-induced enhanced deuterium plasma-driven permeation in chemical vapor deposition tungsten-copper composite
[abstract (pdf)]

Gábor CSÁNYI (Department of Engineering, University of Cambridge, United Kingdom)
A foundation model for atomistic materials chemistry
[abstract (pdf)]

Javier DOMINGUEZ GUTIERREZ (National Center for Nuclear Research, Poland)
Nanoindentation and Defect Behavior in Irradiated FCC NiFe Alloys: Experimental Insights and Atomistic Modelling
[abstract (pdf)]

Ralf DRAUTZ (Ruhr University Bochum, Germany)
GRACE universal interatomic potential for materials discovery and design
[abstract (pdf)]

Yves FERRO (Physique des Interactions Ioniques et Moléculaires (PIIM), Aix-Marseille Université (AMU), France)
A kinetic model based on DFT for H atoms transport at the W/Cu interface
[abstract (pdf)]

Katsuyuki FUKUTANI (University of Tokyo, Japan)
Adsorption and in-diffusion of Hydrogen at metal and metal oxide surfaces
[abstract (pdf)]

Raquel GONZALEZ-ARRABAL (Universidad Politécnica de Madrid, Spain)
Alternative plasma facing material for nuclear fusion reactors
[abstract (pdf)]

Fredric GRANBERG (Department of Physics, University of Helsinki, Finland)
Deuterium effect on defect evolution in tungsten, from bulk to surfaces
[abstract (pdf)]

Etienne A. HODILLE (Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France)
Impact of the trapping model on Tritium retention and permeation in DEMO Tungsten/Eurofer First Wall
[abstract (pdf)]

Jan JANSSEN (Max Planck Institute for Sustainable Materials, Germany)
Machine Learned Interatomic Potentials for Extreme Environments
[abstract (pdf)]

Sanjeet KAUR (United Kingdom Atomic Energy Authority, United Kingdom)
Multi-scale modelling of hydrogen isotopes retention and diffusion in highly irradiated materials
[abstract (pdf)]

Makoto KOBAYASHI (National Institute for Fusion Science, Japan)
Experiments and modeling of hydrogen isotope inventory in damaged tungsten
[abstract (pdf)]

Robert KOLASINKI (Sandia National Laboratories, United States of America)
Surface Characterization of Advanced Tungsten and Ceramic Plasma-Facing Materials
[abstract (pdf)]

Sabina MARKELJ (Jožef Stefan Institute, Slovenia)
Detection of defects in displacement-damaged tungsten and iron
[abstract (pdf)]

Dmitry MATVEEV (Forschungszentrum Jülich (FZJ), Germany)
Vacancy dynamics and hydrogen retention in beryllium
[abstract (pdf)]

Luca MESSINA (Centre d'Etudes Nucleaires de Cadarache, Association EURATOM-CEA, France)
Multiscale modeling of diffusion phenomena in nuclear fuels : from the atomic scale to phase-field polycristalline microstructure evolution simulations

Maylise NASTAR ((CEA Saclay), France)
Point-Defect-Induced Metastable Phase Diagrams
[abstract (pdf)]

Duc NGUYEN-MANH (United Kingdom Atomic Energy Authority, United Kingdom)
Microstructure impact on tritium retention and permeation in tungsten/oxide interface from first-principles based phase field modelling
[abstract (pdf)]

Matthew NUTTER (Warwick University, United Kingdom)
Investigating the Influence of Helium on Screw Dislocation Mobility in Tungsten
[abstract (pdf)]

Takuji ODA (College of Nuclear Engineering, Seoul National University, South Korea)
Applying machine learning potential models to the study of hydrogen in metals: accurate property calculations, complex dynamics simulations, and challenges
[abstract (pdf)]

Olga OGORODNIKOVA (National Research Nuclear University MEPhI, Russia)
Transport and deuterium interaction with defects in W, EUROFER and W-Cr-Y alloys damaged by heavy ions
[abstract (pdf)]

Seiki SAITO (Yamagata University, Japan)
Towards Advanced Wall Modeling Using Machine Learning and Its Integration with Neutral Transport Simulations
[abstract (pdf)]

Younggak SHIN (Yonsei University, South Korea)
From Grains to Gigabytes: Generating Massive Virtual Specimens for Irradiation Damage Study
[abstract (pdf)]

Aidan THOMPSON (Sandia National Laboratories, United States of America)
Quantum-accurate large-scale atomistic simulation of fusion materials with LAMMPS and FitSNAP
[abstract (pdf)]

Udo VON TOUSSAINT (Max Planck Institute for Plasma Physics, Garching, Germany)
Trap-diffusion modelling of diffusion in restricted geometries
[abstract (pdf)]

Zhangcan YANG (Huazhong University of Science and Technology, China)
Sensitivity analysis and optimization of multi-scale models for microstructural evolution in metal materials under neutron irradiation
[abstract (pdf)]

Xiu-Li ZHU (North China Electric Power University, China)
Deuterium Retention Behavior in Tungsten After Plasma Exposure at Varying Temperatures
[abstract (pdf)]

Mikhail ZIBROV (Max Planck Institute for Plasma Physics, Garching, Germany)
Deuterium trapping and release from high-temperature ion irradiated tungsten: experiments and reaction-diffusion simulations
[abstract (pdf)]