Special Issue On Multiscale Materials Modeling
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| Author | : Z. X. Guo |
| Publisher | : Elsevier |
| Total Pages | : 307 |
| Release | : 2007-05-31 |
| Genre | : Technology & Engineering |
| ISBN | : 184569337X |
Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications.The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. - Reviews the principles and applications of mult-scale materials modelling - Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials - Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling
| Author | : Siegfried Schmauder |
| Publisher | : Walter de Gruyter GmbH & Co KG |
| Total Pages | : 346 |
| Release | : 2016-08-22 |
| Genre | : Science |
| ISBN | : 3110412454 |
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
| Author | : Yan Wang |
| Publisher | : Woodhead Publishing |
| Total Pages | : 604 |
| Release | : 2020-03-12 |
| Genre | : Technology & Engineering |
| ISBN | : 0081029411 |
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.
| Author | : Weizhu Bao |
| Publisher | : World Scientific |
| Total Pages | : 285 |
| Release | : 2012 |
| Genre | : Mathematics |
| ISBN | : 9814360899 |
The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.
| Author | : Ellad B. Tadmor |
| Publisher | : Cambridge University Press |
| Total Pages | : 789 |
| Release | : 2011-11-24 |
| Genre | : Science |
| ISBN | : 1139500651 |
Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
| Author | : Ivan Kondov |
| Publisher | : Forschungszentrum Jülich |
| Total Pages | : 335 |
| Release | : 2013 |
| Genre | : |
| ISBN | : 389336899X |
| Author | : |
| Publisher | : Elsevier |
| Total Pages | : 292 |
| Release | : 2009-08-28 |
| Genre | : Science |
| ISBN | : 0444535349 |
New materials addressed for the first time include the chapters on minerals by Barber et al and the chapter on dislocations in colloidal crystals by Schall and Spaepen. Moriarty et al extend the first principles calculations of kink configurations in bcc metals to high pressures, including the use of flexible boundary conditions to model dilatational effects. Rabier et al clarify the issue of glide-shuffle slip systems in diamond cubic and related III-V compounds. Metadislocations, discussed by Feuerbacher and Heggen, represent a new type of defect in multicomponent metal compounds and alloys. - Kink mechanisms for dislocation motion at high pressure in bcc metals - Dislocation core structures identified in silicon at high stress - Metadislocations, a new type of defect, identified and described - Extension of dislocation concepts to complex minerals - First observations of dislocations in colloidal crystals
| Author | : George Chatzigeorgiou |
| Publisher | : Elsevier |
| Total Pages | : 366 |
| Release | : 2022-01-07 |
| Genre | : Technology & Engineering |
| ISBN | : 0128233702 |
Multiscale Modeling Approaches for Composites outlines the fundamentals of common multiscale modeling techniques and provides detailed guidance for putting them into practice. Various homogenization methods are presented in a simple, didactic manner, with an array of numerical examples. The book starts by covering the theoretical underpinnings of tensors and continuum mechanics concepts, then passes to actual micromechanic techniques for composite media and laminate plates. In the last chapters the book covers advanced topics in homogenization, including Green's tensor, Hashin-Shtrikman bounds, and special types of problems. All chapters feature comprehensive analytical and numerical examples (Python and ABAQUS scripts) to better illustrate the theory. - Bridges theory and practice, providing step-by-step instructions for implementing multiscale modeling approaches for composites and the theoretical concepts behind them - Covers boundary conditions, data-exchange between scales, the Hill-Mandel principle, average stress and strain theorems, and more - Discusses how to obtain composite properties using different boundary conditions - Includes access to a companion site, featuring the numerical examples, Python and ABACUS codes discussed in the book
| Author | : Orazio Descalzi |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 409 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 9400709919 |
This volume contains a selection of lectures and seminars given at the Ninth International Workshop on Instabilities and Nonequilibrium Structures which took place in Via del Mar, Chile, in December 2001. This book consists of two parts, the first one has three lectures written by Professors H.R. Brand, M. Moreau and L.S. Tuckerman. H.R. Brand gives an overview about reorientation and undulation instabilities in liquid crystals, M. Moreau presents recent results on biased tracer diffusion in lattice gases, finally, L.S. Tuckerman summarizes some numerical methods used in bifurcation problems. The second part consists of a collection of selected seminars which cover different topics in nonlinear physics, from an experimental, numerical and theoretical point of view. This book should appeal to mathematicians, physicists and engineers interested in dynamical systems, statistical mechanics, and nonequilibrium systems.
| Author | : David L. McDowell |
| Publisher | : Butterworth-Heinemann |
| Total Pages | : 393 |
| Release | : 2009-09-30 |
| Genre | : Technology & Engineering |
| ISBN | : 0080952208 |
Integrated Design of Multiscale, Multifunctional Materials and Products is the first of its type to consider not only design of materials, but concurrent design of materials and products. In other words, materials are not just selected on the basis of properties, but the composition and/or microstructure iw designed to satisfy specific ranged sets of performance requirements. This book presents the motivation for pursuing concurrent design of materials and products, thoroughly discussing the details of multiscale modeling and multilevel robust design and provides details of the design methods/strategies along with selected examples of designing material attributes for specified system performance. It is intended as a monograph to serve as a foundational reference for instructors of courses at the senior and introductory graduate level in departments of materials science and engineering, mechanical engineering, aerospace engineering and civil engineering who are interested in next generation systems-based design of materials. - First of its kind to consider not only design of materials, but concurrent design of materials and products - Treatment of uncertainty via robust design of materials - Integrates the "materials by design approach" of Olson/Ques Tek LLC with the "materials selection" approach of Ashby/Granta - Distinquishes the processes of concurrent design of materials and products as an overall systems design problem from the field of multiscale modeling - Systematic mathematical algorithms and methods are introduced for robust design of materials, rather than ad hoc heuristics--it is oriented towards a true systems approach to design of materials and products
