Project scope and objectives

The Ferroic Multifunctionalities project (acronym FerrMion) aims to strengthen top-level, application-oriented research in the field of smart materials and composites in the Czech Republic by investigating new functional properties arising from ferroic and multiferroic phenomena and also by exploring novel concepts for their practical application.

Ferroics are materials in which phase transformations give rise to reorientable domain microstructures. These domains may exhibit spontaneous strain (in ferroelastics), magnetization (in ferromagnetics), or electric polarization (in ferroelectrics). However, the functional behavior of ferroic materials goes far beyond simple domain reorientation. Phase transitions between ferroic and non-ferroic crystal structures are accompanied by the absorption or release of latent heat, which can also be controlled by external stimuli. Lattice instabilities near domain walls or close to transformation temperatures can lead to anomalous elastic, magnetic, or electric properties. In addition, there exist multiferroic materials in which two or more ferroic effects are combined, resulting in significantly more complex properties related to caloric effects and lattice instabilities. The interplay of domain structures, caloric effects, lattice instability, and multiferroic coupling produces a wide range of functional behaviors—collectively referred to as ferroic multifunctionalities, which is also the name and focus of the project.

The multifunctionality of ferroic materials offers remarkable application potential. Their active response to changes in temperature or magnetic fields can be used in remotely controlled mechanical micromanipulators, which are employed, for example, in medicine as (intra)body micropumps. The caloric behavior of ferroics opens possibilities for silent solid-state cooling or waste heat recovery (energy harvesting). Unique elastic properties arising from lattice instabilities enable the development of alloys with stress–strain responses similar to that of human bone — a key characteristic for next-generation joint implants. Polarization effects caused by lattice instability can significantly enhance the piezoelectric performance of ceramic materials used in airbag sensors, gas igniters, or medical ultrasound devices. It is clear that a substantial part of the application potential of ferroics and multiferroics remains unexplored, and many of their properties, recently discovered in laboratories, have yet to find practical use.

Therefore, the core of the FerrMion project is the investigation of unique functional properties of ferroic and multiferroic materials, most of which are metallic (such as shape memory alloys and magnetic martensites), but also include dielectrics and composites — extending down to the level of nanocomposites. The goal is to develop a theoretical framework that links the behavior of metallic, non-metallic, and composite (multi-)ferroics, and to apply this framework in the design of applications. While in conventional materials numerical simulations can serve as tools that connect material properties to targeted applications, the complexity of functional behavior in ferroics demands fundamentally new approaches to application design, including the development of novel modeling methodologies.

The project objectives will be achieved by the research team through four interrelated work packages (WPs):

WP1 – Multiscale description and microstructural engineering (MDAME)

Within the first work package, an advanced platform for experimental characterization of microstructures in ferroic materials is being developed. The platform consists of a combination of advanced microscopy and diffraction techniques, complemented by more rare experimental facilities such as the laser-ultrasonic characterization and 3D atom probe tomography (3D APT). The latter is the first facility of its kind in the Central and Eastern Europe and will enable a unique insight into nanoscale chemical composition and ordering phenomena in ferroics. The microstructures in ferroics studied within WP1 range from those spontaneously appearing due to external stimuli or heat treatment, to other specifically engineered with the aim to control the functional properties. The engineered microstructures comprise, in particular, Ti-, Zr- and high entropy alloys with enhanced ductility due to ferroic phenomena, and bottom-up built ferroic nanocomposites designed for multiferroic thin films and next-generation Li-ion batteries. The microstructural features observed in these materials (as well as materials developed within other work packages) are discussed from the point of view of the mathematical theory of ferroic microstructures, with the aim to find and elucidate unifying concepts across spatial scales and across various phenomena. The expected outputs of the work package include newly developed strong but ductile alloys, nanoparticle-based composites with designed multiferroic functionalities, and game-changing discoveries unraveling the relations between nanoscale chemical and structural heterogeneity in multiferroics and their macroscopic functional performance.

WP2 – Multiferroics and coupling (MAC)

The subject of the second working package is the study of the latest-generation multiferroic materials, with the aim of discovering new functionalities and identifying their potential for technological applications. Two main families of multiferroic materials are being explored. The first is dielectric multiferroics and multiferroic heterostructures, including two-dimensional sandwich materials and artificially layered superlattices; novel multicaloric phenomena in these materials serve as a basis for designing solid-state cooling and thermal energy harvesting applications. The second group is Heusler ferromagnetic martensites and Heusler-based heterostructures, aiming at magnetically controlled micromanipulators and magnetocaloric cooling devices. The world-leading expertize of the team is utilized for proposing new concepts for gaining control over ferroic domain microstructures, such as architecturing twin arrangements in martensites for optimized magneto-mechanical performance, or creating domain supercrystals in ferroelectrics. As an essential part of the work package, the multiferroic coupling phenomena is addressed by ab-initio calculations, including extensive calculations requiring supercomputing. The state-of-the-art ab-initio analyses are envisaged to explain the effects of doping, off-stoichiometry and lattice defects and contribute to discoveries of new material systems. The expected outcomes of the work package are novel concepts of applications of multiferroics, newly developed multiferroic materials with tailored domain architectures, and significant progress in the study of multiferroic phenomena using first-principles (super)computing.

WP3 – Thermodynamics and applications through FEM design (TAAP)

The third work package focuses on novel concepts of mathematical and numerical modelling of ferroic phenomena at the level of a thermodynamic description of continuum mechanics, and on their application in the design of promising technologies and applications. The team draws on its world-class expertise in partial differential equations and the calculus of variations to establish a new modelling framework for the ferroic functionalities. This framework is then used to create software-implemented tools available for industrial research and development that will enable engineers to simulate accurately the functional behaviours of ferroelastic components. In parallel, we are developing dedicated experimental protocols to provide material input data for these tools. The team utilizes its experience in finite-elements-based implementations of complex coupled mechanics, thermodynamics, and fluid-solid interactions not only to develop robust and generalizable models, but also to foster significant progress in the related disciplines of applied mathematics and computer sciences. The expected outcomes of the work package are patent-application ready designs of self-sensing shape memory actuators, peristaltic micropumps, ferroics-based fluid micromixers, ferroic-to-fluid heat exchangers, and architectured bio-mimetic prostheses based on alloys with lattice instabilities induced by ferroic phase transitions.

WP4 – Towards new techniques (TNT)

The aim of the fourth work package is to explore new routes for manufacturing ferroic materials with complex shapes and tailored microstructures. This includes powder-metallurgy-based techniques including 3D printing, designing the microstructures through local heterogeneities using state-of-the-art thermomechanical treatment methods, and utilizing beams of accelerated particles both for modification of the ferroic materials and for manufacturing of ferroic nanocomposites. The research addresses all levels and stages of the manufacturing process, from characterization and optimization of the input powders and nanoparticles to the design of production protocols for components targeted at specific applications. The combination of these newly explored techniques with the world-leading expertise of the team – in the fields of shape memory alloys, advanced biodegradable metallic materials, and ion-beam modifications – lays a strong foundation for outlining new directions for both the manufacturing processes and the application design. The complex relationship between shapes of manufactured parts, microstructure and resulting functional behavior is analyzed. The expected outcomes of the work package include 3D printed materials optimized for selected applications, such as NiTi-based and NiMn-based shape memory alloys, high-entropy alloys, and composites based on biodegradable alloys combined with ferroelastics. Application-ready methodologies for modifying and controlling the microstructures in these materials are being developed, based on principles ranging from precipitation hardening to intentional radiation damage. In addition, the work package serves as a production hub of materials and manufacturing technology base for the entire project.