Multiscale Modelling and Crystal Plasticity of Metals
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".
Deadline for manuscript submissions: closed (29 February 2024) | Viewed by 3675
Special Issue Editor
Interests: microstructural design of new advanced steels with improved strength–ductility combinations by thermo-mechanical treatments; understanding the influence of microstructural variables (such as composition, dislocation structure, or phase connectivity) on the intrinsic mechanical properties of non-equilibrium phases and their interactions with the surrounding phases; analysis of work-hardening mechanisms in advanced steels combining 3D micromechanicall models with experiments; modelling complex topological microstructural parameters for multiphase steels using 3D synthetic microstructures, i.e., Voronoi tessellations; hydrogen metallurgy; sustainable steelmaking processes
Special Issue Information
Dear Colleagues,
Metals are notoriously linked to the development of technology and infrastructure in our increasingly sustainable society. The conception of new advanced metallic alloys with outstanding strength–ductility combinations and performance properties requires understanding the complex physical interactions occurring across length scales during the mechanical deformation of carefully designed microstructures.
At the atomic-/nanoscales, the interactions between defects and solutes in the crystal lattice determine the intrinsic mechanical properties of individual phases. At the microscale, the crystallographic orientations, the dislocation structure and dynamics, the grain size, and the local composition dictate the mechanical interactions between neighbouring grains through the phase contrast (difference in strength) and the mechanical stability. At the mesoscale, the mechanical properties of the individual phases and their interactions engage through the texture and the microstructural topology (i.e., phase volume fractions, phase connectivity, grain size gradients), affecting the overall macroscopic behaviour of the metallic material.
Multiscale modelling has the potential to explain the large-scale mechanical response of metallic alloys under realistic constrains in connection to the microstructure and the essential phenomena occurring at smaller scales. In metal science, its most prominent field of application is the prediction of the relationships between the processing, structure, and properties of multiphase metallic alloys beyond experimental observations. For instance, by interfacing a 2D or 3D synthetic microstructure with a full-field crystal plasticity model, the microstructure topology has been demonstrated to play a key role in the stress/strain distribution of advanced high-strength steels during mechanical deformation and thereby in their local / global work hardening and crack propagation behaviour.
The following fields are of high-interest to the progress of multiscale modelling: 1) the development of algorithms for the accurate generation of synthetic microstructures, i.e., based on microstructure geometrical descriptors, statistics, or artificial intelligence; 2) the development of multiscale bridging and optimization methods to speed up the numerical computation of statistical and high-resolution synthetic microstructures as well as to enable the application to component scale; 3) the understanding and proper management of material properties needed in multiscale modelling (i.e., constitutive behaviour of the individual phases and their mechanical interactions) with respect to the microstructural characteristics resulting from the applied thermal processing; and 4) smart strategies to compare simulations output results with experimental results at different length-scales.
For all the above-described aspects, this Special Issue aims to present the latest research findings in the field of multiscale modelling of metallic alloys for structural applications. This Special Issue is open to all the researchers involved in this field and invites them to contribute their most recent results.
Dr. Carola Celada-Casero
Guest Editor
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Keywords
- multiscale modelling
- advanced high-strength steels
- metallic microstructures
- microstructure modelling
- crystal plasticity
- constitutive modelling
- computer-aided engineering (CAE)
- integrated computational materials engineering (ICME)
- microstructure–properties relations
- hydrogen embrittlement
- computational mechanics
- data science
- atomistic simulations
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