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Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and governing physical phenomena necessary to simulate and understand a wide-range of structural materials at multiple time and length scales. The book offers practical guidelines for modeling common structural materials with well-established techniques, outlining detailed modeling approaches for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, thin films, and more.Computational approaches based on artificial intelligence and machine learning methods as complementary tools to the physics-based multiscale techniques are discussed as are modeling techniques for additively manufactured structural materials. Special attention is paid to how these methods can be used to develop the next generation of sustainable, resilient and environmentally-friendly structural materials, with a specific emphasis on bridging the atomistic and continuum modeling scales for these materials.
Methods and approaches to multiscale modeling
Electronic structure and density functional theory
Electronic structure and density functional theory
Particle-based mesoscale modeling and coarse-graining methods
Fast homogenization through clustering-based reduced-order modeling
Immersogeometric formulation for free-surface flows
Machine learning in materials modeling and design
Applications of multiscale modeling to structural materials
Multiscale modeling of failure behaviors in carbon fiber-reinforced polymer composites
Engineering elasticity inspired by natural biopolymers
Multiscale modeling applied to additive manufacturing
Multiscale modeling of supramolecular assemblies of 2D materials