Fundamentals of Multiscale Modeling of Structural Materials
- 1st Edition - November 26, 2022
- Imprint: Elsevier
- Editors: Wenjie Xia, Luis Alberto Ruiz Pestana
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 8 2 3 0 2 1 - 3
- eBook ISBN:9 7 8 - 0 - 1 2 - 8 2 3 0 5 3 - 4
Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and govern… Read more
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Request a sales quoteFundamentals 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.
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.
- Synthesizes the latest cutting-edge computational multiscale modeling techniques for an array of structural materials
- Emphasizes the foundations of the field and offers practical guidelines for modeling material systems with well-established techniques
- Covers methods for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, and more
- Highlights underlying theory, emerging areas, future directions and various applications of the modeling methods covered
- Discusses the integration of multiscale modeling and artificial intelligence
Upper-level undergraduate and graduate students in the field of multiscale modeling, mechanics of materials, and civil/structural engineering. Practicing engineers and material scientists
- Cover image
- Title page
- Table of Contents
- Copyright
- Contributors
- Preface
- Introduction
- Part One: Methods and approaches to multiscale modeling
- Chapter One: Electronic structure and density functional theory
- Abstract
- 1: A brief introduction to electronic structure methods
- 2: The theoretical framework behind density functional theory
- 3: Using DFT to calculate properties of solids
- 4: Recommended further reading
- References
- Chapter Two: Atomistic molecular modeling methods
- Abstract
- 1: The history and significance of atomistic simulations
- 2: What is atomistic modeling and what is it good for?
- 3: The zoo of atomistic modeling methods
- 4: Modeling interatomic interactions using empirical force fields
- 5: Integrating the dynamics of atoms: Molecular dynamics (MD)
- 6: Ensembles and molecular dynamics at constant temperature and/or pressure
- 7: How to calculate properties from an MD simulation
- 8: Some odds and ends of atomistic simulations
- 9: Concluding remark
- References
- Chapter Three: Particle-based mesoscale modeling and coarse-graining methods
- Abstract
- 1: Introduction to mesoscale modeling of materials
- 2: Overview of coarse-graining modeling strategies
- 3: Particle-based mesoscale modeling techniques
- 4: Concluding remarks
- References
- Chapter Four: Fast homogenization through clustering-based reduced-order modeling
- Abstract
- 1: Introduction
- 2: Computational homogenization and multiscale modeling
- 3: Clustering-based reduced-order modeling
- 4: Overview of self-consistent clustering analysis
- 5: Preliminaries on micromechanics
- 6: Offline stage
- 7: Online stage
- 8: Numerical application
- 9: Concluding remarks and future directions
- Appendix
- References
- Chapter Five: Immersogeometric formulation for free-surface flows
- Abstract
- 1: Introduction
- 2: Governing equations of free-surface flow
- 3: Semidiscrete formulation
- 4: Tetrahedral finite cell method
- 5: Time integration
- 6: Numerical examples
- 7: Summary and future work
- References
- Chapter Six: Machine learning in materials modeling and design
- Abstract
- 1: Introduction
- 2: Math preliminaries for machine learning
- 3: Overview of machine learning algorithms
- 4: Applications of machine learning in materials design and modeling
- 5: Future outlook
- References
- Part Two: Applications of multiscale modeling to structural materials
- Chapter Seven: Multiscale modeling of failure behaviors in carbon fiber-reinforced polymer composites
- Abstract
- 1: Introduction
- 2: Synopsis of the multiscale modeling framework
- 3: Nanoscale characterization of the interphase region
- 4: Microscale model development for UD CFRP composites
- 5: Mesoscale model development for woven composites
- 6: Macroscale model of U-shaped part made of UD and woven CFRP composites
- 7: Conclusions
- References
- Chapter Eight: Engineering elasticity inspired by natural biopolymers
- Abstract
- 1: Introduction
- 2: Sequence and structure in elastomeric biopolymers
- 3: Cross-linking for tuning elastomeric biopolymer properties
- 4: Intrinsic and extrinsic factors modulating elastomeric protein elasticity
- 5: Computational approaches to elastomeric protein polymers
- 6: Conclusion
- References
- Chapter Nine: Multiscale modeling applied to additive manufacturing
- Abstract
- 1: Introduction
- 2: Simulating additive manufacturing process
- 3: Simulating microstructure evolution
- 4: Mechanical properties simulation
- 5: Summary
- References
- Chapter Ten: Multiscale modeling of supramolecular assemblies of 2D materials
- Abstract
- 1: Introduction
- 2: Coarse-graining modeling methods for 2D materials
- 3: Multiscale modeling of crumpled sheet and supramolecular assemblies
- 4: Conclusion and future outlook
- References
- Index
- Edition: 1
- Published: November 26, 2022
- Imprint: Elsevier
- No. of pages: 448
- Language: English
- Paperback ISBN: 9780128230213
- eBook ISBN: 9780128230534
WX
Wenjie Xia
Wenjie Xia is an Assistant Professor in the Department of Civil and Environmental Engineering, North Dakota State University (NDSU). He obtained his PhD from Northwestern University, and prior to joining NDSU he was an MGI-CHiMaD (Materials Genome Initiative- The Center for Hierarchical Materials Design) Fellow at National Institute of Standards and Technology from 2016-2018. His research interests lie in understanding the complex behaviors of structural materials via bottom-up predictive modeling and data-driven approaches for design and prediction of their performance in engineering applications. He and his group have developed multiscale modeling tools and established innovative materials-by-design frameworks to facilitate design and development of high-performance multifunctional materials. He has authored over 30 peer-reviewed papers, mostly on the topics of computational materials and nanoscale science.
Affiliations and expertise
Assistant Professor, North Dakota State University, USALA
Luis Alberto Ruiz Pestana
Luis Ruiz Pestana is an Assistant Professor in the Department of Civil, Architectural, and Environmental Engineering at the University of Miami. He obtained his PhD in Theoretical and Applied Mechanics from Northwestern University, and prior to joining University of Miami he was a postdoctoral fellow in the Chemical Sciences Division at Lawrence Berkeley National Laboratory and the Pitzer Center for Theoretical Chemistry at the University of California, Berkeley. He is an expert in a variety of molecular simulation techniques ranging from density functional theory to ab initio, classical, and coarse-grained molecular dynamics. He has organized and chaired multiple symposia at international conferences in molecular and multiscale modeling of materials and has published numerous articles in influential peer- reviewed journals.
Affiliations and expertise
Assistant Professor, Miami University, USARead Fundamentals of Multiscale Modeling of Structural Materials on ScienceDirect