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Elsevier

Books in Materials modelling

  • Handbook of Coarse-Grained and Multiscale Modeling of Soft Matter

    From the Fundamentals to Scientific and Industrial Applications
    • 1st Edition
    • Valeriy V. Ginzburg + 2 more
    • English
    Chemical and Biological Engineering students often come to their first industry jobs with a limited knowledge of problems they will need to solve, the correct methods to solve them, and ways to communicate their proposed solutions to intended audiences. Handbook of Coarse-Grained and Multiscale Modeling of Soft Matter: From the Fundamentals to Scientific and Industrial Applications provides a comprehensive overview of multiscale modeling of soft materials, with a special emphasis on the details of the coarse-graining process and the development of multiscale modeling workflows going from chemical structure to mesoscale morphology to mechanical, physical, transport, electrical, and optical properties of final materials.The goal of this book is to prepare students to apply theory and modeling to “real-life” problems that are often messy and uncertain, while maintaining scientific rigor and keeping focus on the fundamentals of “how things work”. The book is divided into six parts, starting with the general principles of multiscale modeling and the fundamentals of coarse-graining. The second part reviews the particle-based modeling approaches (molecular dynamics and dissipative particle dynamics). The third highlights the field-based models, such as self-consistent field theory and density functional theory, before the fourth addresses data-driven and AI-based models. In the fifth part, examples of various systems of interest (synthetic polymers, liquid crystals, surfactants, nanocomposites, and biopolymers) are discussed in detail, and specific challenges and questions relevant to each of them are highlighted. Finally, the sixth and largest part features specific case studies where modeling is used to help solve industrial problems in the fields of polymer recycling, personal care, energy, transportation, and others. Each chapter is written by a leading academic or industrial scientist working in the specific area. The book combines the rigor of multiscale modeling, with its challenging coarse-graining methodology, with the practicability required for real-life industrial projects. The Handbook of Coarse-Grained and Multiscale Modeling of Soft Matter: From the Fundamentals to Scientific and Industrial Applications provides a comprehensive “go-to” resource for researchers interested in applying theory and modeling to solving real-life industrial challenges.It is designed for senior undergraduate and graduate students, as well as early-career scientists across chemical engineering, materials science and engineering, bioengineering, biophysics, chemistry, and physics, who are interested in applying theory and modeling towards scientific and industrial problem-solving.

  • Metaheuristics-Based Materials Optimization

    Enhancing Materials Applications
    • 1st Edition
    • Harbinder Singh + 2 more
    • English
    Metaheuristics-Based Materials Optimization: Enhancing Materials Applications provides a guide to using metaheuristics-based computational techniques to improve the design, performance, and broaden the applications of various materials. The book fuses optimization algorithms with materials engineering, enabling more accurate simulations and models for analyzing and predicting the behavior of materials under different conditions, allowing for design of materials with improved performance, durability, energy efficiency, cost-effectiveness, and other desired characteristics. Metaheuristic approaches for material synthesis and design, structural optimization, material characterization, property prediction, and process optimization are all covered, as are comparisons of different algorithms, step-by-step guidelines on how to implement them, and case studies of them being applied in real-world settings.

  • Modeling, Characterization, and Production of Nanomaterials

    Electronics, Photonics, and Energy Applications
    • 2nd Edition
    • Vinod Tewary + 1 more
    • English
    Nano-scale materials have unique electronic, optical, and chemical properties that make them attractive for a new generation of devices. In the second edition of Modeling, Characterization, and Production of Nanomaterials: Electronics, Photonics, and Energy Applications, leading experts review the latest advances in research in the understanding, prediction, and methods of production of current and emerging nanomaterials for key applications. The chapters in the first half of the book cover applications of different modeling techniques, such as Green’s function-based multiscale modeling and density functional theory, to simulate nanomaterials and their structures, properties, and devices. The chapters in the second half describe the characterization of nanomaterials using advanced material characterization techniques, such as high-resolution electron microscopy, near-field scanning microwave microscopy, confocal micro-Raman spectroscopy, thermal analysis of nanoparticles, and applications of nanomaterials in areas such as electronics, solar energy, catalysis, and sensing. The second edition includes emerging relevant nanomaterials, applications, and updated modeling and characterization techniques and new understanding of nanomaterials.

  • Multiscale Modeling of Additively Manufactured Metals

    Application to Laser Powder Bed Fusion Process
    • 1st Edition
    • Yi Zhang + 2 more
    • English
    Multiscale Modeling of Additively Manufactured Metals: Application to Laser Powder Bed Fusion Process provides comprehensive coverage on the latest methodology in additive manufacturing (AM) modeling and simulation. Although there are extensive advances within the AM field, challenges to predictive theoretical and computational approaches still hinder the widespread adoption of AM. The book reviews metal additive materials and processes and discusses multiscale/multiphys... modeling strategies. In addition, coverage of modeling and simulation of AM process in order to understand the process-structure-pr... relationship is reviewed, along with the modeling of morphology evolution, phase transformation, and defect formation in AM parts. Residual stress, distortion, plasticity/damage in AM parts are also considered, with scales associated with the spatial, temporal and/or material domains reviewed. This book is useful for graduate students, engineers and professionals working on AM materials, equipment, process, development and modeling.

  • Modelling and Simulation in the Science of Micro- and Meso-Porous Materials

    • 1st Edition
    • Richard Catlow + 2 more
    • English
    Modelling and Simulation in the Science of Micro- and Meso-Porous Materials addresses significant developments in the field of micro- and meso-porous science. The book includes sections on Structure Modeling and Prediction, Synthesis, Nucleation and Growth, Sorption and Separation processes, Reactivity and Catalysis, and Fundamental Developments in Methodology to give a complete overview of the techniques currently utilized in this rapidly advancing field. It thoroughly addresses the major challenges in the field of microporous materials, including the crystallization mechanism of porous materials and rational synthesis of porous materials with controllable porous structures and compositions. New applications in emerging areas are also covered, including biomass conversion, C1 chemistry, and CO2 capture.

  • The Material Point Method

    A Continuum-Based Particle Method for Extreme Loading Cases
    • 1st Edition
    • Xiong Zhang + 2 more
    • English
    The Material Point Method: A Continuum-Based Particle Method for Extreme Loading Cases systematically introduces the theory, code design, and application of the material point method, covering subjects such as the spatial and temporal discretization of MPM, frequently-used strength models and equations of state of materials, contact algorithms in MPM, adaptive MPM, the hybrid/coupled material point finite element method, object-oriented programming of MPM, and the application of MPM in impact, explosion, and metal forming. Recent progresses are also stated in this monograph, including improvement of efficiency, memory storage, coupling/combination with the finite element method, the contact algorithm, and their application to problems.

  • Modelling Degradation of Bioresorbable Polymeric Medical Devices

    • 1st Edition
    • J Pan
    • English
    The use of bioresorbable polymers in stents, fixation devices and tissue engineering is revolutionising medicine. Both industry and academic researchers are interested in using computer modelling to replace some experiments which are costly and time consuming. This book provides readers with a comprehensive review of modelling polymers and polymeric medical devices as an alternative to practical experiments. Chapters in part one provide readers with an overview of the fundamentals of biodegradation. Part two looks at a wide range of degradation theories for bioresorbable polymers and devices. The final set of chapters look at advances in modelling biodegradation of bioresorbable polymers. This book is an essential guide to those concerned with replacing tests and experiments with modelling.

  • Primer on Flat Rolling

    • 2nd Edition
    • John G. Lenard
    • English
    Primer on Flat Rolling is a fully revised second edition, and the outcome of over three decades of involvement with the rolling process. It is based on the author's yearly set of lectures, delivered to engineers and technologists working in the rolling metal industry. The essential and basic ideas involved in designing and analysis of the rolling process are presented. The book discusses and illustrates in detail the three components of flat rolling: the mill, the rolled metal, and their interface. New processes are also covered; flexible rolling and accumulative roll-bonding. The last chapter contains problems, with solutions that illustrate the complexities of flat rolling. New chapters include a study of hot rolling of aluminum, contributed by Prof. M. Wells; advanced applications of the finite element method, by Dr. Yuli Liu and by Dr. G. Krallics; roll design by Dr. J. B. Tiley and the history of the development of hot rolling mills, written by Mr. D. R. Adair and E. B. Intong. Engineers, technologists and students can all use this book to aid their planning and analysis of flat rolling processes.

  • Diffraction and Imaging Techniques in Material Science P1

    Electron Microscopy
    • 2nd Edition
    • S Amelinckx
    • English
    Diffraction and Imaging Techniques in Material Science describes the various methods used to study the atomic structure of matter at an atomic scale based on the interaction between matter and radiation. It classifies the possible methods of observation by making a list of radiations on the basis of wavelength, including ions, X-ray photons, neutrons, and electrons. It also discusses transmission electron microscopy, the weak-beam method of electron microscopy, and some applications of transmission electron microscopy to phase transitions. Organized into 13 chapters, this volume begins with an overview of the kinematic theory of electron diffraction and the ways to treat diffraction by a deformed crystal. It discusses the dynamical theory of diffraction of fast electrons, the treatment of absorption in the dynamical theory of electron diffraction, the use of electron microscopy to study planar interfaces, and analysis of weak-beam images. The book also covers the use of computed electron micrographs in defect identification, crystallographic analysis of dislocation loops containing shear components, and detection and identification of small coherent particles. In addition, the reader is introduced to interpretation of diffuse scattering and short-range order, along with the crystallography of martensitic transformations. The remaining chapters focus on the working principle of the transmission electron microscope, experimental structure imaging of crystals, and the study of diffuse scattering effects originating from substitutional disorder and displacement disorder. The information on diffraction and imaging techniques in material science contained in this book will be helpful to students, researchers, and scientists.

  • Diffraction and Imaging Techniques in Material Science P2

    Imaging and Diffraction Techniques
    • 2nd Edition
    • S Amelinckx
    • English
    Diffraction and Imaging Techniques in Material Science reviews recent developments in diffraction and imaging techniques used in the study of materials. It discusses advances in high-voltage electron microscopy, low-energy electron diffraction (LEED), X-ray and neutron diffraction, X-ray topography, mirror electron microscopy, and field emission microscopy. Organized into five parts encompassing nine chapters, this volume begins with an overview of the dynamical theory of the diffraction of high-energy electrons in crystals and methodically introduces the reader to dynamical diffraction in perfect and imperfect crystals, inelastic scattering of electrons in crystals, and X-ray production. It then explores back scattering effects, the technical features of high-voltage electron microscopes, and surface characterization by LEED. Other chapters focus on the kinematical theory of X-ray diffraction, techniques and interpretation in X-ray topography, and interpretation of the contrast of the images of defects on X-ray topographs. The book also describes theory and applications of mirror electron microscopy, surface studies by field emission of electrons, field ionization and field evaporation, and gas-surface interactions before concluding with a discussion on lattice imperfections. Scientists and students taking courses on diffraction and solid-state electron microscopy will benefit from this book.

  • Fatigue Life Prediction of Composites and Composite Structures

    • 1st Edition
    • Anastasios P. Vassilopoulos
    • English
    The use of composites is growing in structural applications in many industries including aerospace, marine, wind turbine and civil engineering. There are uncertainties about the long term performance of these composites and how they will perform under cyclic fatigue loading. Fatigue life prediction of composites and composite structures provides a comprehensive review of fatigue damage and fatigue life prediction methodologies for composites and how they can be used in practice.After an introductory chapter, Part one reviews developments in ways of modelling composite fatigue life. The second part of the book reviews developments in predicting composite fatigue life under different conditions including constant and variable amplitude loading as well as multiaxial and cyclic loading. Part three then describes applications such as fatigue life prediction of bonded joints and wind turbine rotor blades as well as health monitoring of composite structures.With its distinguished editor and international team of contributors, Fatigue life prediction of composites and composite structures is a standard reference for industry and researchers working with composites and those concerned with the long-term performance and fatigue life of composite components and structures.

  • Dislocations in Solids

    • 1st Edition
    • Volume 15
    • English
    Bacon and Osetsky present an atomistic model of dislocation-particle interactions in metal systems, including irradiated materials. This work is important in simulating actual behavior, removing earlier reliance on assumed mechanisms for dislocation motion. New mechanisms for dislocation generation under shock loading are presented by Meyers et al. These models provide a basis for understanding the constitutive behavior of shocked material. Saada and Dirras provide a new perspective on the Hall-Petch relation, with particular emphasis on nanocrystals. Of particular significance, deviations from the traditional stress proportional to the square-root of grain size relation are explained. Robertson et al consider a number of effects of hydrogen on plastic flow and provide a model that provides an explanation of the broad range of properties.

  • Surface Complexation Modelling

    • 1st Edition
    • Volume 11
    • Johannes Lutzenkirchen
    • English
    Surface Complexation Modelling deals with various aspects associate to the modelling of solutes adsorption from of solutes from aqueous solutions to minerals. The individual contributions cover fundamental aspects and applications. Applications cover case studies and present consistent surface complexation parameter sets. The model approaches range from simplistic to mechanistic. More fundamental contributions address underlying phenomena or stress the opportunities of modern computational methods. Several mineral systems are covered, including goethite, gibbsite, clay minerals etc.Surface Complexation Modelling presents the state-of-the-art of surface complexation modelling and suggests ideas for further model development. A number of chapters are authored by scientists working on nuclear waste storage, where the retention of radionuclides contributes to preventing radionuclide migration from the repository to the biosphere. Other contributions come from soil and environmental chemists with an interest in reactive transport of pollutants in soils or aquifers.

  • Multi-Scale Modelling of Composite Material Systems

    The Art of Predictive Damage Modelling
    • 1st Edition
    • C Soutis + 1 more
    • English
    One of the most important and exciting areas of composites research is the development of modelling techniques to predict the response of composite materials to different types of stress. Predictive modelling provides the opportunity both to understand better how composites behave in different conditions and to develop materials with enhanced performance for particular industrial applications. Multi-scale modelling of composite material systems summarises the key research in this area and its implications for industry.The book covers modelling approaches ranging from the micron to the metre in scale, and from the single fibre to complete composite structures. Individual chapters discuss a variety of material types from laminates and fibre-reinforced composites to monolithic and sandwich composites. They also analyse a range of types of stress and stress response from fracture and impact to wear and fatigue. Authors also discuss the strengths and weaknesses of particular models.With its distinguished editors and international team of contributors, Multi-scale modelling of composite material systems is a standard reference for both academics and manufacturers in such areas as aerospace, automotive and civil engineering.

  • Molecular Modeling and Theory in Chemical Engineering

    • 1st Edition
    • Volume 28
    • James Wei + 6 more
    • English
    In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.