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Materials Modelling Using Density Functional Theory

2014 Mathematics
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Release : 2014
Genre : Mathematics
Kind : eBook
Book Rating : 444/5 ( reviews)

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Book Synopsis Materials Modelling Using Density Functional Theory by : Feliciano Giustino

Download or read book Materials Modelling Using Density Functional Theory written by Feliciano Giustino. This book was released on 2014. Available in PDF, EPUB and Kindle. Book excerpt: The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.

Handbook of Materials Modeling

2007-11-17 Science
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Release : 2007-11-17
Genre : Science
Kind : eBook
Book Rating : 862/5 ( reviews)

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Book Synopsis Handbook of Materials Modeling by : Sidney Yip

Download or read book Handbook of Materials Modeling written by Sidney Yip. This book was released on 2007-11-17. Available in PDF, EPUB and Kindle. Book excerpt: The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

Modeling Materials

2011-11-24 Science
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Release : 2011-11-24
Genre : Science
Kind : eBook
Book Rating : 651/5 ( reviews)

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Book Synopsis Modeling Materials by : Ellad B. Tadmor

Download or read book Modeling Materials written by Ellad B. Tadmor. This book was released on 2011-11-24. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Multiscale Materials Modelling

2007-05-31 Technology & Engineering
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Release : 2007-05-31
Genre : Technology & Engineering
Kind : eBook
Book Rating : 37X/5 ( reviews)

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Book Synopsis Multiscale Materials Modelling by : Z. X. Guo

Download or read book Multiscale Materials Modelling written by Z. X. Guo. This book was released on 2007-05-31. Available in PDF, EPUB and Kindle. Book excerpt: 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

Applied Computational Materials Modeling

2007-12-19 Technology & Engineering
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Release : 2007-12-19
Genre : Technology & Engineering
Kind : eBook
Book Rating : 655/5 ( reviews)

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Book Synopsis Applied Computational Materials Modeling by : Guillermo Bozzolo

Download or read book Applied Computational Materials Modeling written by Guillermo Bozzolo. This book was released on 2007-12-19. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this book is to identify and emphasize the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. The book provides a more balanced perspective of the role that computational modeling can play in every day research and development efforts. Each chapter describes one or more particular computational tool and how they are best used.

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