Multiscale Simulations And Mechanics Of Biological Materials

Multiscale Simulations and Mechanics of Biological Materials A compilation of recent developments in multiscale simulation and computational biomaterials written by leading specialists in the field Presenting the latest developments in multiscale mechanics and multiscale simulations, and offering a unique viewpoint on multiscale modelling of biological materials, this book outlines the latest developments in computational biological materials from atomistic and molecular scale simulation on DNA, proteins, and nano-particles, to meoscale soft matter modelling of cells, and to macroscale soft tissue and blood vessel, and bone simulations. Traditionally, computational biomaterials researchers come from biological chemistry and biomedical engineering, so this is probably the first edited book to present work from these talented computational mechanics researchers. The book has been written to honor Professor Wing Liu of Northwestern University, USA, who has made pioneering contributions in multiscale simulation and computational biomaterial in specific simulation of drag delivery at atomistic and molecular scale and computational cardiovascular fluid mechanics via immersed finite element method. Key features: Offers a unique interdisciplinary approach to multiscale biomaterial modelling aimed at both accessible introductory and advanced levels Presents a breadth of computational approaches for modelling biological materials across multiple length scales (molecular to whole-tissue scale), including solid and fluid based approaches A companion website for supplementary materials plus links to contributors’ websites (www.wiley.com/go/li/multiscale)

Multiscale mechanics of hierarchical materials plays a crucial role in understanding and engineering biological and bioinspired materials and systems. The mechanical science of hierarchical tissues and cells in biological systems has recently emerged as an exciting area of research and provides enormous opportunities for innovative basic research and technological advancement. Such advances could enable us to provide engineered materials and structure with properties that resemble those of biological systems, in particular the ability to self-assemble, to self-repair, to adapt and evolve, and to provide multiple functions that can be controlled through external cues. This book presents material from leading researchers in the field of mechanical sciences of biological materials and structure, with the aim to introduce methods and applications to a wider range of engineers.

This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling. Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide・zinc oxide interaction

This book covers the latest research work done in the area of interface mechanics of collagen and chitin-based biomaterials along with various techniques that can be used to understand mechanics of biological systems and materials. Topics covered include Raman spectroscopy of biological systems, scale dependence of the mechanical properties and microstructure of crustaceans thin films as biomimetic materials, as well as the role of molecular-level modeling. The use of nanomechanics to investigate interface thermomechanics of collagen and chitin-based biomaterials is also covered in detail. This book also: • Details spectroscope experiments as well as nanomechanic experiments • Reviews exhaustively phenomenological models and Raman spectroscopy of biological systems • Covers the latest in multiscaling for molecular models to predict lab-scale sample properties and investigates interface thermomechanics.

This book presents and discusses the state of the art and future perspectives in mathematical modeling and homogenization techniques with the focus on addressing key physiological issues in the context of multiphase healthy and malignant biological materials. The highly interdisciplinary content brings together contributions from scientists with complementary areas of expertise, such as pure and applied mathematicians, engineers, and biophysicists. The book also features the lecture notes from a half-day introductory course on asymptotic homogenization. These notes are suitable for undergraduate mathematics or physics students, while the other chapters are aimed at graduate students and researchers.

This book covers the latest research work done in the area of interface mechanics of collagen and chitin-based biomaterials along with various techniques that can be used to understand mechanics of biological systems and materials. Topics covered include Raman spectroscopy of biological systems, scale dependence of the mechanical properties and microstructure of crustaceans thin films as biomimetic materials, as well as the role of molecular-level modeling. The use of nanomechanics to investigate interface thermomechanics of collagen and chitin-based biomaterials is also covered in detail. This book also: • Details spectroscope experiments as well as nanomechanic experiments • Reviews exhaustively phenomenological models and Raman spectroscopy of biological systems • Covers the latest in multiscaling for molecular models to predict lab-scale sample properties and investigates interface thermomechanics

The investigation of the role of mechanical and mechano-chemical interactions in cellular processes and tissue development is a rapidly growing research field in the life sciences and in biomedical engineering. Quantitative understanding of this important area in the study of biological systems requires the development of adequate mathematical models for the simulation of the evolution of these systems in space and time. Since expertise in various fields is necessary, this calls for a multidisciplinary approach. This edited volume connects basic physical, biological, and physiological concepts to methods for the mathematical modeling of various materials by pursuing a multiscale approach, from subcellular to organ and system level. Written by active researchers, each chapter provides a detailed introduction to a given field, illustrates various approaches to creating models, and explores recent advances and future research perspectives. Topics covered include molecular dynamics simulations of lipid membranes, phenomenological continuum mechanics of tissue growth, and translational cardiovascular modeling. Modeling Biomaterials will be a valuable resource for both non-specialists and experienced researchers from various domains of science, such as applied mathematics, biophysics, computational physiology, and medicine.

Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.