| Description |
1 online resource (306 pages) : illustrations. |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Series |
Woodhead Publishing in materials |
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Woodhead Publishing in materials.
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| Bibliography |
Includes bibliographical references at the end of each chapters and index. |
| Note |
Online resource; title from PDF title page (ebrary, viewed February 14, 2014). |
| Summary |
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 modellingCovers themes such as dislocation behaviour and plasticity and the modelling of structural materialsExamines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. |
| Contents |
Cover; Multiscalematerials modelling: Fundamentals andapplications; Copyright; Contents; Contributor contact details; Preface; 1 The role of ab initio electronic structure calculations in multiscale modelling of materials; 1.1 Introduction; 1.2 Basic equations of electronic structure calculations; 1.3 Illustrative examples; 1.4 Conclusions; 1.5 Acknowledgments; 1.6 References; 2 Modelling of dislocation behaviour at the continuum level; 2.1 Introduction; 2.2 Brief history; 2.3 Implementation; 2.4 Some current applications; 2.5 Extensions of current discrete dislocation dynamics trends. |
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2.6 Acknowledgments2.7 References; 3 Phase-field modelling of material microstructure; 3.1 Introduction; 3.2 Model description; 3.3 Advantages and disadvantages; 3.4 Recent developments and future opportunities; 3.5 Acknowledgments; 3.6 References; 4 Mesoscale modelling of grain growth and microstructure in polycrystalline materials; 4.1 Introduction; 4.2 Molecular dynamics simulation of grain growth; 4.3 Mesoscale simulation methodology; 4.4 Validation of mesoscale simulations; 4.5 Mesoscale simulation results; 4.6 Summary and conclusions; 4.7 Acknowledgments; 4.8 References. |
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5 Finite element and homogenization modelling of materials5.1 Introduction; 5.2 Representative volume element; 5.3 Homogenization techniques; 5.4 Computational micromechanics; 5.5 Multiscale coupling; 5.6 Future directions; 5.7 Acknowledgments; 5.8 References; 6 Grain-continuum modelling of material behaviour; 6.1 Introduction; 6.2 Representations and models; 6.3 Grain-continuum approach; 6.4 Grain-continuum examples; 6.5 Opportunities; 6.6 References; 7 Coupled atomistic/continuum modelling of plasticity in materials; 7.1 Introduction; 7.2 Automatic adaption: the QC method. |
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7.3 Kinematically identifying dislocations -- the CADD method7.4 Challenges and future directions; 7.5 References; 8 Multiscale modelling of carbon nanostructures; 8.1 Introduction to carbon nanotube dynamics; 8.2 Overlap TB/MD multiscale model; 8.3 Simulation results of carbon nanotubes under axial loading; 8.4 Introduction to hydrogen interaction with carbon nanostructures; 8.5 Hybrid calculations with multiscale ONIOM scheme; 8.6 Chemosorption of hydrogen atoms onto carbon nanotubes; 8.7 References; 9 Multiscale modelling of structural materials; 9.1 Introduction; 9.2 Structural materials. |
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9.3 Metals9.4 Polymers; 9.5 Ceramics; 9.6 Time scales; 9.7 Future trends; 9.8 References; Index. |
| Subject |
Materials -- Mathematical models.
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Electronic structure -- Mathematical models.
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Continuum mechanics.
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Matériaux -- Modèles mathématiques.
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Structure électronique -- Modèles mathématiques.
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Mécanique des milieux continus.
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Continuum mechanics
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Electronic structure -- Mathematical models
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Materials -- Mathematical models
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| Added Author |
Guo, Z. Xiao.
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Institute of Materials, Minerals, and Mining.
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| Other Form: |
Print version: Multiscale materials modelling : fundamentals and applications. Cambridge, England ; Boca Raton, Florida : Woodhead Publishing Limited : CRC Press, ©2007 xii, 293 pages 9781845690717 |
| ISBN |
9781845693374 (electronic bk.) |
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184569337X (electronic bk.) |
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9781845690717 |
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9780849391101 |
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1845690710 (Trade Cloth) |
| Standard No. |
DEBSZ 414274059 |
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DEBSZ 431639272 |
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NZ1 15626550 |
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GBVCP 813167558 |
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DEBBG BV042316573 |
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