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Author: Markus J. Buehler
Publisher: Springer Science & Business Media
ISBN: 0387764267
Category : Science
Languages : en
Pages : 547
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Book Description
This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
Author: Markus J. Buehler
Publisher: Springer Science & Business Media
ISBN: 0387764267
Category : Science
Languages : en
Pages : 547
Get Book Here
Book Description
This is an introduction to molecular and atomistic modeling techniques applied to fracture and deformation of solids, focusing on a variety of brittle, ductile, geometrically confined and biological materials. The overview includes computational methods and techniques operating at the atomic scale, and describes how these techniques can be used to model cracks and other deformation mechanisms. The book aims to make new molecular modeling techniques available to a wider community.
Author: Markus J. Buehler
Publisher:
ISBN: 9780387567709
Category :
Languages : en
Pages : 560
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Book Description
Author: Veronika Brázdová
Publisher: John Wiley & Sons
ISBN: 3527671838
Category : Science
Languages : en
Pages : 291
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Book Description
Many books explain the theory of atomistic computer simulations; this book teaches you how to run them This introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications. This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies. The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
Author: Jia Fu
Publisher: BoD – Books on Demand
ISBN: 1838802010
Category : Computers
Languages : en
Pages : 180
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Book Description
Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
Author: Jinghong Fan
Publisher: John Wiley & Sons
ISBN: 111995648X
Category : Technology & Engineering
Languages : en
Pages : 510
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Book Description
Presenting cutting-edge research and development within multiscale modeling techniques and frameworks, Multiscale Analysis of Deformation and Failure of Materials systematically describes the background, principles and methods within this exciting new & interdisciplinary field. The author’s approach emphasizes the principles and methods of atomistic simulation and its transition to the nano and sub-micron scale of a continuum, which is technically important for nanotechnology and biotechnology. He also pays close attention to multiscale analysis across the micro/meso/macroscopy of a continuum, which has a broad scope of applications encompassing different disciplines and practices, and is an essential extension of mesomechanics. Of equal interest to engineers, scientists, academics and students, Multiscale Analysis of Deformation and Failure of Materials is a multidisciplinary text relevant to those working in the areas of materials science, solid and computational mechanics, bioengineering and biomaterials, and aerospace, automotive, civil, and environmental engineering. Provides a deep understanding of multiscale analysis and its implementation Shows in detail how multiscale models can be developed from practical problems and how to use the multiscale methods and software to carry out simulations Discusses two interlinked categories of multiscale analysis; analysis spanning from the atomistic to the micro-continuum scales, and analysis across the micro/meso/macro scale of continuum.
Author: Ramesh Talreja
Publisher: Cambridge University Press
ISBN: 0521819423
Category : Science
Languages : en
Pages : 315
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Book Description
Bringing together materials mechanics and modelling, this book provides a complete guide to damage mechanics of composite materials for engineers.
Author: Christopher R. Weinberger
Publisher: Springer
ISBN: 3319334808
Category : Technology & Engineering
Languages : en
Pages : 554
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Book Description
This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.
Author: Akarsh Verma
Publisher: Springer Nature
ISBN: 9811930929
Category : Technology & Engineering
Languages : en
Pages : 395
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Book Description
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.
Author: Steven W. Cranford
Publisher: Springer Science & Business Media
ISBN: 9400716109
Category : Technology & Engineering
Languages : en
Pages : 446
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Book Description
Biomateriomics is the holistic study of biological material systems. While such systems are undoubtedly complex, we frequently encounter similar components -- universal building blocks and hierarchical structure motifs -- which result in a diverse set of functionalities. Similar to the way music or language arises from a limited set of music notes and words, we exploit the relationships between form and function in a meaningful way by recognizing the similarities between Beethoven and bone, or Shakespeare and silk. Through the investigation of material properties, examining fundamental links between processes, structures, and properties at multiple scales and their interactions, materiomics explains system functionality from the level of building blocks. Biomateriomics specifically focuses the analysis of the role of materials in the context of biological processes, the transfer of biological material principles towards biomimetic and bioinspired applications, and the study of interfaces between living and non-living systems. The challenges of biological materials are vast, but the convergence of biology, mathematics and engineering as well as computational and experimental techniques have resulted in the toolset necessary to describe complex material systems, from nano to macro. Applying biomateriomics can unlock Nature’s secret to high performance materials such as spider silk, bone, and nacre, and elucidate the progression and diagnosis or the treatment of diseases. Similarly, it contributes to develop a de novo understanding of biological material processes and to the potential of exploiting novel concepts in innovation, material synthesis and design.
Author: Ellad B. Tadmor
Publisher: Cambridge University Press
ISBN: 1139500651
Category : Science
Languages : en
Pages : 789
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Book Description
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.
