Multiscale Modeling of Complex Materials


Book Description

The papers in this volume deal with materials science, theoretical mechanics and experimental and computational techniques at multiple scales, providing a sound base and a framework for many applications which are hitherto treated in a phenomenological sense. The basic principles are formulated of multiscale modeling strategies towards modern complex multiphase materials subjected to various types of mechanical, thermal loadings and environmental effects. The focus is on problems where mechanics is highly coupled with other concurrent physical phenomena. Attention is also focused on the historical origins of multiscale modeling and foundations of continuum mechanics currently adopted to model non-classical continua with substructure, for which internal length scales play a crucial role.




Uncertainty Quantification in Multiscale Materials Modeling


Book Description

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.




Multiscale Biomechanical Modeling of the Brain


Book Description

Multiscale Biomechanical Modeling of the Brain discusses the constitutive modeling of the brain at various length scales (nanoscale, microscale, mesoscale, macroscale and structural scale). In each scale, the book describes the state-of-the- experimental and computational tools used to quantify critical deformational information at each length scale. Then, at the structural scale, several user-based constitutive material models are presented, along with real-world boundary value problems. Lastly, design and optimization concepts are presented for use in occupant-centric design frameworks. This book is useful for both academia and industry applications that cover basic science aspects or applied research in head and brain protection. The multiscale approach to this topic is unique, and not found in other books. It includes meticulously selected materials that aim to connect the mechanistic analysis of the brain tissue at size scales ranging from subcellular to organ levels. Presents concepts in a theoretical and thermodynamic framework for each length scale Teaches readers not only how to use an existing multiscale model for each brain but also how to develop a new multiscale model Takes an integrated experimental-computational approach and gives structured multiscale coverage of the problems




Principles of Multiscale Modeling


Book Description

A systematic discussion of the fundamental principles, written by a leading contributor to the field.




Multiscale Modeling and Simulation of Composite Materials and Structures


Book Description

This book presents the state-of-the-art in multiscale modeling and simulation techniques for composite materials and structures. It focuses on the structural and functional properties of engineering composites and the sustainable high performance of components and structures. The multiscale techniques can be also applied to nanocomposites which are important application areas in nanotechnology. There are few books available on this topic.




Analysis and Simulation of Contact Problems


Book Description

This carefully edited book offers a state-of-the-art overview on formulation, mathematical analysis and numerical solution procedures of contact problems. The contributions collected in this volume summarize the lectures presented by leading scientists in the area of contact mechanics, during the 4th Contact Mechanics International Symposium (CMIS) held in Hannover, Germany, 2005.




Multiscale Cancer Modeling


Book Description

Cancer is a complex disease process that spans multiple scales in space and time. Driven by cutting-edge mathematical and computational techniques, in silico biology provides powerful tools to investigate the mechanistic relationships of genes, cells, and tissues. It enables the creation of experimentally testable hypotheses, the integration of dat




Practical Aspects of Computational Chemistry


Book Description

"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.




Carbon Nanotube-Reinforced Polymers


Book Description

Carbon Nanotube-Reinforced Polymers: From Nanoscale to Macroscale addresses the advances in nanotechnology that have led to the development of a new class of composite materials known as CNT-reinforced polymers. The low density and high aspect ratio, together with their exceptional mechanical, electrical and thermal properties, render carbon nanotubes as a good reinforcing agent for composites. In addition, these simulation and modeling techniques play a significant role in characterizing their properties and understanding their mechanical behavior, and are thus discussed and demonstrated in this comprehensive book that presents the state-of-the-art research in the field of modeling, characterization and processing. The book separates the theoretical studies on the mechanical properties of CNTs and their composites into atomistic modeling and continuum mechanics-based approaches, including both analytical and numerical ones, along with multi-scale modeling techniques. Different efforts have been done in this field to address the mechanical behavior of isolated CNTs and their composites by numerous researchers, signaling that this area of study is ongoing. - Explains modeling approaches to carbon nanotubes, together with their application, strengths and limitations - Outlines the properties of different carbon nanotube-based composites, exploring how they are used in the mechanical and structural components - Analyzes the behavior of carbon nanotube-based composites in different conditions




Multi-scale Phenomena in Complex Fluids


Book Description

Multi-Scale Phenomena in Complex Fluids is a collection of lecture notes delivered during the ªrst two series of mini-courses from "Shanghai Summer School on Analysis and Numerics in Modern Sciences," which was held in 2004 and 2006 at Fudan University, Shanghai, China. This review volume of 5 chapters, covering various fields in complex fluids, places emphasis on multi-scale modeling, analyses and simulations. It will be of special interest to researchers and graduate students who want to work in the field of complex fluids.