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- Author : Kaoru Ohno
- Publsiher : Springer
- Release : 14 April 2018
- ISBN : 3662565420
- Pages : 427 pages
- Rating : /5 from reviews

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Download or read book entitled *Computational Materials Science* by author: *Kaoru Ohno* which was release on *14 April 2018* and published by *Springer* with total page 427 pages . This book available in PDF, EPUB and Kindle Format. This textbook introduces modern techniques based on computer simulation to study materials science. It starts from first principles calculations enabling to calculate the physical and chemical properties by solving a many-body Schroedinger equation with Coulomb forces. For the exchange-correlation term, the local density approximation is usually applied. After the introduction of the first principles treatment, tight-binding and classical potential methods are briefly introduced to indicate how one can increase the number of atoms in the system. In the second half of the book, Monte Carlo simulation is discussed in detail. Problems and solutions are provided to facilitate understanding. Readers will gain sufficient knowledge to begin theoretical studies in modern materials research. This second edition includes a lot of recent theoretical techniques in materials research. With the computers power now available, it is possible to use these numerical techniques to study various physical and chemical properties of complex materials from first principles. The new edition also covers empirical methods, such as tight-binding and molecular dynamics.

- Author : Kaoru Ohno,Keivan Esfarjani,Yoshiyuki Kawazoe
- Publisher : Springer Science & Business Media
- Release Date : 1999-08-18
- Total pages : 329
- ISBN : 3662565420

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**Summary :** Powerful computers now enable scientists to model the physical and chemical properties and behavior of complex materials using first principles. This book introduces dramatically new computational techniques in materials research, specifically for understanding molecular dynamics....

- Author : Ching-yao Fong
- Publisher : World Scientific
- Release Date : 1998
- Total pages : 382
- ISBN : 3662565420

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**Summary :** This book describes the state-of-the-art research topics in theoretical materials science. It encompasses the computational methods and techniques which can advance more realistic calculations for understanding the physical principles in new growth methods of optoelectronic materials and related surface problems. These principles also govern the photonic, electronic, and structural properties ...

- Author : Anonim
- Publisher : Elsevier
- Release Date : 2004-03-19
- Total pages : 472
- ISBN : 3662565420

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**Summary :** Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems ...

- Author : Richard Catlow,Eugene Kotomin
- Publisher : IOS Press
- Release Date : 2003
- Total pages : 419
- ISBN : 3662565420

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**Summary :** Read online Computational Materials Science written by Richard Catlow,Eugene Kotomin, published by IOS Press which was released on 2003. Download full Computational Materials Science Books now! Available in PDF, ePub and Kindle....

- Author : Wofram Hergert,Arthur Ernst,Markus Däne
- Publisher : Springer Science & Business Media
- Release Date : 2004-04-29
- Total pages : 320
- ISBN : 3662565420

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**Summary :** Computational Physics is now a discipline in its own right, comparable with theoretical and experimental physics. Computational Materials Science concentrates on the calculation of materials properties starting from microscopic theories. It has become a powerful tool in industrial research for designing new materials, modifying materials properties and optimizing chemical processes. ...

- Author : June Gunn Lee
- Publisher : CRC Press
- Release Date : 2016-11-25
- Total pages : 351
- ISBN : 3662565420

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**Summary :** This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods. The new edition expands upon the density functional theory (DFT) and how the original DFT has advanced to a more accurate level by GGA+U ...

- Author : Dierk Raabe
- Publisher : Wiley-VCH
- Release Date : 1998-10-27
- Total pages : 379
- ISBN : 3662565420

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**Summary :** Modeling and simulation play an ever increasing role in the development and optimization of materials. Computational Materials Science presents the most important approaches in this new interdisciplinary field of materials science and engineering. The reader will learn to assess which numerical method is appropriate for performing simulations at the various ...

- Author : Richard LeSar
- Publisher : Cambridge University Press
- Release Date : 2013-03-28
- Total pages : 414
- ISBN : 3662565420

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**Summary :** Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behavior. All the key topics are covered from electronic structure methods to microstructural evolution, appendices provide crucial background material, and a wealth of practical resources are available online to complete the ...

- Author : A.M. Ovrutsky,A. S Prokhoda,M.S. Rasshchupkyna
- Publisher : Elsevier
- Release Date : 2013-11-19
- Total pages : 388
- ISBN : 3662565420

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**Summary :** Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding ...

- Author : C. R. A. Catlow,Richard Catlow,Charles Richard Arthur Catlow,Evgeniĭ Alekseevich Kotomin,Eugene Kotomin
- Publisher : NATO Science Series: Computer & Systems Sciences
- Release Date : 2003
- Total pages : 419
- ISBN : 3662565420

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**Summary :** This text gives a survey of the fundamental methodologies of computational materials science and an illustrative range of contemporary applications. The focus is on inorganic (especially oxide) materials and semiconductors where there have been many important developments....

- Author : Lily Chen
- Publisher : Willford Press
- Release Date : 2018-02-19
- Total pages : 203
- ISBN : 3662565420

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**Summary :** Computational materials science is a fast growing field. It involves computational tools for solving problems related to materials science. Different mathematical models are used for developing a better understanding of material structures and properties. Most research done in this field focuses on the behavior of materials at varied levels. This ...

- Author : A. A. Askadskii
- Publisher : Cambridge Int Science Publishing
- Release Date : 2003-01-01
- Total pages : 696
- ISBN : 3662565420

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**Summary :** Annotation Methods of quantitative analysis of the effect of the chemical structure of linear and network polymers on their properties, computer synthesis of polymers with specific physical properties....

- Author : Feng Xiong
- Publisher : Trans Tech Publications Ltd
- Release Date : 2011-07-04
- Total pages : 2370
- ISBN : 3662565420

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**Summary :** The goal of this collection was to gather together up-to-date knowledge from researchers in academia and industry, as well as end-uses, and also give them the opportunity to share ideas, problems and solutions related to the divers aspects of Computational Materials Science, Mechanical, Industrial and Manufacturing Engineering. The result is ...

- Author : Patrice E. A. Turchi,Antonios Gonis,Luciano Colombo
- Publisher : Unknown
- Release Date : 1998
- Total pages : 542
- ISBN : 3662565420

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**Summary :** The tight-binding model is the simplest scheme within a quantum mechanical framework for describing the energetics of materials which are characterized by fairly localized electrons, such as transition metals and their alloys, or by covalent bonding, such as semiconductors and insulators. Modern tight-binding theory provides a conceptual framework for a ...

- Author : Koen Janssens,Veena Tikare,Richard LeSar
- Publisher : Unknown
- Release Date : 2007
- Total pages : 18
- ISBN : 3662565420

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**Summary :** Read online Advances in Computational Materials Science and Engineering Methods written by Koen Janssens,Veena Tikare,Richard LeSar, published by which was released on 2007. Download full Advances in Computational Materials Science and Engineering Methods Books now! Available in PDF, ePub and Kindle....