Special Issues
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M5S: Multiphysics Modelling of Multiscale and Multifunctional Materials and Structures

Submission Deadline: 15 May 2026 View: 280 Submit to Special Issue

Guest Editors

Dr. Pei Li

Email: lipei@sdu.dk

Affiliation: Institute of Mechanical and Electrical Engineering, Centre for Industrial Mechanics, University of Southern Denmark, Odense, 5230, Denmark

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Research Interests: Computational Mechanics, Concurrent Multiscale Modelling, Numerical Simulation, Multiscale and Multifunctional Materials and Structures, Heterogeneous Materials, 3D Printed Piezoelectric Materials

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Dr. Fengxian Liu

Email: f.liu-3@utwente.nl

Affiliation: Group of Computational Design of Structural Materials, Faculty of Engineering Technology, University of Twente, 7522 LW Enschede, Netherlands

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Research Interests: Computational mechanics; Mecahnics of Materials; Multiscle modeling; Crystal plasticity

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Summary

This Special Issue focuses on computational methods, algorithms, and simulation frameworks dedicated to modelling, analysis, and optimization of advanced materials with multiphysics, multiscale, and multifunctional characteristics. It will foster cross-disciplinary exchange between novel modelling techniques, accelerated numerical algorithms, and innovative integration of physics-based and data-driven methods for computational materials science.

Topics of Interest include (but are not limited to):
· Computational multiphysics modelling of materials (e.g., mechanical–thermal–electrical–chemical coupling).
· Multiscale computational approaches for materials analysis (FE², concurrent/embedded methods, homogenization schemes).
· Simulation-driven design of multifunctional and architected materials.
· Isogeometric, meshfree, and extended FEM/BEM methods applied to computational materials problems.
· Machine learning and reduced-order models for accelerated computational materials simulations.
· Computational multiphysics–topology optimization for multifunctional material systems.
· Phase-field and molecular dynamics integrated with continuum-scale computational materials models.
· Numerical modelling of damage, fracture, fatigue, and failure in advanced materials.


Keywords

Computational materials science, multiphysics modelling, multiscale simulation, multifunctional materials, isogeometric analysis, meshfree methods, machine learning in materials, topology optimization, phase-field modelling, molecular dynamics

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