RADINTERFACES

Multiscale Modelling and Materials by Design of interface-controlled Radiation Damage in Crystalline Materials

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 Obiettivo del progetto (Objective)

'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/oxyde).'

Introduzione (Teaser)

Nuclear energy is a sustainable way to produce electricity with no harmful emissions. Scientists are developing multi-scale models of novel reactor materials that repair themselves for improved radiation tolerance.

Descrizione progetto (Article)

Radiation damage is manifested in void swelling and irradiation creep, deformations of the reactor materials that can lead to failure. Evidence suggests that swelling can be prevented with a recently developed novel class of materials boasting self-healing properties. However, the mathematical modelling and simulation tools to investigate the phenomena and develop better designs were previously lacking.

Scientists are filling this gap with EU funding of the project RADINTERFACES. They are investigating phenomena at all relevant levels, starting with electronic structure where the primary knocked-on atom (PKA) can start the cascade of destructive events. The novel multilayer films of crystalline multiphase materials demonstrate the ability to repair damage associated with the PKA. Researchers are thus modelling the behaviours of such materials at all levels consisting of the interactions between atoms (micro scale) to the propagation of damage in single crystals and multilayers of materials (meso scale) to the bulk (macro scale) to predict performance characteristics of the reactor element itself. Complementary experimental work on materials' behaviour is focused on creation of thin film samples using three established techniques.

To date, investigators have developed two new methods for describing microstructural interactions and defects in materials with multilayer interfaces. They have also defined forces governing interactions among the atomic elements of interest. In addition, they have developed code describing meso-scale dislocations dynamics in multilamellar structures as well as rules governing the interaction of interfaces and radiation-induced defects. Finally, scientists have synthesised multilayer compounds of interest and are in the process of characterising their properties.

RADINTERFACES is developing the necessary multi-scale modelling tools to design reactor components from novel crystalline multiphase materials with radical self-healing properties. Multiple layers with large interfacial areas are expected to prevent swelling initiated at a PKA, which decreases reactor lifetime, and thus decrease operating costs while increasing safety.