"Multiscale Modelling and Materials by Design of interface-controlled Radiation Damage in Crystalline Materials"
Radiation damage is known to lead to materials failure and thus is of critical importance to lifetime and safety within nuclear reactors. While materials mechanical behavior under irradiation has been subject to numerous studies, the current predictive capabilities appear limited. Observations and physical models have shown that the most important damage contributions arise from point defect localization –leading to void swelling- and creep. It was recently found that void swelling can be prevented via use of non coherent heterophase interfaces. It is very likely that other interface types may exhibit similar trends. Unfortunately, no tool is available to generally predict the effect of interface composition (monophase, heterophase) and structure (geometry, roughness) on its propensity to resist radiation damage (both via defect localization and creep). These limitations motivate the proposed study which aims at developing such tool. Given the multi-scale multi physics nature of the problem, the consortium is formed by experts in the fields of materials modeling via ab initio, molecular dynamics and continuum modeling as well as of materials characterization and processing via mechanical alloying and physical vapor deposition.
The program aims at constructing a bottom-up framework allowing discovery and quantifications of materials damage mechanisms and effects on mechanical properties for novel crystalline materials with large interfacial areas. Model validation will arise through direct comparison with materials testing for a wide array of materials systems (metal/metal, metal/oxide, oxide/oxide).
The main tasks of IMDEA Materials Institute are the development of the Molecular Dynamics (MD) and multi-scale modelling strategies, and to characterize the materials response previous to irradiation via nano-micromechanical testing.
Partners: Centre National de la Recherche Scientifique, University of Oviedo, Universidad Politecnica de Madrid, Ecole des Mines de Paris-ARMINES, Czech Technical University in Prague, Universita degli Studi di Cagliari, University of Tartu, Uppsala University, IMDEA Materials Institute, Los Alamos National Laboratory.
Funding Organisation: European Union, 7th Framework Programme (Cooperation, NMP Theme)
Project Period: 2011 – 2014
Principal Investigator: Prof. Javier Llorca