Organisers

• Maria Samaras (Paul Scherrer Institute, Villigen)
• Roger Stoller (Oak Ridge National Laboratory)
• Robin Schaeublin (Ecole Polytechnique Fédérale de Lausanne)
• Marjorie Bertolus (CEA DEN, Cadarache)

Supports

Paul Scherrer Institute

   CECAM

Description

To understand the many different phenomena occurring in the nuclear environment, materials studies  needs to encompass broad time and length scales starting from atomistic descriptions of defect energetics and ending with a description of bulk property behaviour at the continuum limit. A single code running on the supercomputers of today or even those available in the future cannot describe all these phenomena. Methods undertaken to understand the mechanical properties of these materials include state of the art multi-scale, multi-code computations and multi-dimensional experiments. These simulations begin at the atomistic level with ab initio, molecular dynamics and kinetic Monte Carlo techniques, moves through the meso-scale using mean field rate theory and Dislocation Dynamics, and end with the macro-scale using Calphad, Finite Element methods and continuum models. The vision is that such a multiscale modelling and experimental approach will probe beyond currently possible approaches to become a predictive tool in estimating mechanical properties and eventually the lifetimes of materials. In the future, it is envisaged that development of tailor-made alloys and ceramics with optimized composition would be possible as an outcome of accurate materials modelling. To realize such a scheme, it is necessary, at an international level, to include modelling as a constitutive part of materials research. 

Scientific Objectives

Multiscale Modelling is becoming a conventional term within materials science. Large multi-scale modelling strategies are taking root internationally in fusion and fission groups and it is one of the aims of this meeting to bring these forces together. Behavioural properties of materials are being modelled and break through science and technology is being produced. This Workshop is a push to take up the challenge of studying nuclear materials and tackling issues which are either missing or still not well understood; both phenomena not studied and techniques not implemented. The intent of this meeting is to bring together scientists to discuss breakthroughs that are needed and being made internationally in modelling of materials behaviour. Participation is envisaged to encompass a broad-based group of scientists involved in computational modelling and simulation as well as experimentalists. Attendees are expected from both the nuclear and non-nuclear fields. Speakers have been chosen that are experts in nuclear materials issues, both experimental and modelling, as well as those who are experts in modelling techniques which are important to include in nuclear materials modelling but have not yet been addressed. Such a configuration of people, with directed discussions is hoped will enhance links between the nuclear and non-nuclear modelling communities to go beyond today’s technology.

To best use these computational tools it is also necessary to assess existing data and optimise new experiments, the results of which are incorporated into simulations code in order to develop realistic models which will allow extrapolation beyond the existing databases for lifetime prediction. This interchange between computational models and experiment is critical in developing accurate predictive models, thus expert experimentalists will also be asked to attend this meeting.