Computational Materials Science: From Ab Initio to Monte Carlo Methods (Springer Series in Solid-State Sciences)

Book Description

This book introduces new theoretical techniques in materials research. With the computer power now available, it is possible to use numerical techniques to study various physical and chemical properties of complex materials from first principles. Some typical examples are presented and all the necessary equations and plots are included so that readers can fully understand the details. This book offers the materials scientist access to, and an understanding of the modern development of molecular dynamics and Monte Carlo simulation. It will also be of interest to physicists and chemists engaged in materials research.

Customer Reviews:

Up to date but not much better than other texts.......2004-06-27

I read this book to learn more about my field of study; computational materials science. I found it thorough; it covered all the major aspects for modelling of condensed phases at the atomic scale: Monte Carlo, Moleculary Dynamics, statistical thermo, and ab initio methods.

The strong point of this book compared to others on the same subject is that the amount of space devoted to the various subjects closely corresponds to the amount of work done in those subjects. Therefore, a lot of space is spent on empirical and semi-empirical methods.

Density functional theory, which is the workhorse of today's high-end simulations, gets shorted here. Only a couple of pages are spent on it. This contrasts strongly with other books on the same subject, like the books by Raabe, or Catlow, or Finnis, where DFT gets at least a whole chapter to itself.

Likewise, there is not much on electronic structure. There are a fair number of examples in this book, but few are simple enough for the first-timer to follow. The examples tend to show of the abilities of simulations; and not the nuts and bolts of how to do them.

As such, this book is great for an introductory course on computer simulations of materials; assuming the reader has a background in materials science. It is not a good book for a course on DFT, computational quantum mechanics, or solid state calculations.

The Best MODERN treatment: Concise, yet Thorough.......2004-04-01

With an exponentially growing computational power, more precise and exact treatments of problems of condensed matter physics become affordable, and the dark corners of material science become clearly understandable. At the same time, new methods are becoming developed, that allow for better treatments of various kinds of problems in this field.

This book is a gem, written by three active frontiers on this subject and can be of great value to anyone doing computations in material science. An almost complete and up to date review of the methods used in this field with great lists of references for further studies.

Book Description

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

Nanoscale Phase Separation and Colossal Magnetoresistance

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Nanoscale Phase Separation and Colossal Magnetoresistance
Elbio Dagotto
Manufacturer: Springer
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Binding: Hardcover

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ASIN: 3540432450

Book Description

The study of the spontaneous formation of nanostructures in single crystals is rapidly developing into a dominant field of research in the subject area known as strongly correlated electrons. The structures appear to originate in the competition of phases. This book addresses nanoscale phase separation, focusing on the manganese oxides with colossal magnetoresistance (CMR). The text argues that nanostructures are at the heart of the CMR phenomenon. Other compounds are also addressed, such as high-temperature superconductors, where similar nanostructures exist. Brief contributions by distinguished researchers are also included. The book contains updated information directed at experts, both theorists and experimentalists. Beginning graduate students or postdocs will also benefit from the introductory material of the early chapters, and the book can be used as a reference for an advanced graduate course.

Simulations for Solid State Physics Paperback without CD-ROM: An Interactive Resource for Students and Teachers

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Waste of money
Buy the soft-cover book instead
You don't need the CD-ROM
Note on CD
Excellent collection of computer simulations

Simulations for Solid State Physics Paperback without CD-ROM: An Interactive Resource for Students and Teachers
Robert H. Silsbee , and Joerg Draeger
Manufacturer: Cambridge University Press
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Binding: Paperback

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ASIN: 0521599113

Book Description

This new and exciting interactive resource package centers around fourteen high quality computer simulations covering essential topics in solid state physics. The computer simulations provided on CDSHROM cover x-ray diffraction, phonons, electron states and dynamics, semiconductors, magnetism, and dislocations. Users can vary different characteristics and immediately see the results in animations and graphical displays. The companion book is essential for effective use of the simulations. It guides the user through hundreds of exercises and examples, illustrates fundamental physical principles, and contains notes on the relevant physics. The hardcover edition includes the simulations on CDSHROM (Unix, Windows, Powermac formats) and a license for use on a local area network on a single geographical site. The low priced paperback (without CDSHROM) is intended for students who have access to the simulations on a local area network. These simulations provide an interactive resource for those studying solid state physics at advanced undergraduate or graduate level. They will also be of interest to researchers in physics, materials science, electrical engineering, chemistry and chemical engineering. Selected material from the simulations may be explored at the Web site http://www.ruph.cornell.edu/sss/sss.html after February 1, 1997.

Customer Reviews:

Waste of money.......2006-01-21

Every student I have spoken to who has been required to use these simulations and the book in their Solid State course regard this book to be the waste of your time and money.

First of all, the book does not explain theory, all you have to do is to run the simulations and complete the exercises. The Package contains 14 separate programs that you run. Each program corresponds to a particular theory in Solid State physics, like Drude theory, for example. This book basically explains how the computer simulations work and has a considerable number of Exercises to accomplish with the use of the simulation programs.

When you run the simulations it seems like you are making an experiment because the data you get has a certain random error associated with it. So, basically you can control some input parameters and you observe the result calculated on the basis of a certain theoretical algorithm.

Very often the Exercises ask you to compare the data you obtain running the simulations with a certain theoretical formula. This way the authors basically ask you to compare the model they used in the simulation with the theory. That is in most exercises you do nothing more but simply make sure that the algorithms in the programs comply with the theory, you make sure they do work. You don't really study physics this way; the simulations do very little in helping you understand. Unfortunately, these simulations are only good for undergraduate students with very little knowledge of physics. I would say the package is designed for theoreticians who would like to feel what it is like to perform an experiment not for explaining solid state.

I am surprised Cambridge University Press would publish a book like that. If you really want to learn Solid State it is better to spend this money on purchasing something which will help you learn the subject.

Buy the soft-cover book instead.......2004-02-17

The hardcover version of this book which includes the CD-ROM with all of the simulations is no longer in print. Check out the book's website at http://www.ruph.cornell.edu/sss/sss.html and you should be able to download the computer simulations for free (at least as of February 2004.) The paperback book is a very helpful companion to these programs and includes lots of useful exercises as well as concise summaries of the basic concepts of solid state physics without getting lost in mathematical derivations like most textbooks seem to do.

You don't need the CD-ROM.......2004-02-17

The hardcover version of this book which includes the CD-ROM with all of the simulations is no longer in print. Check out the book's website at http://www.ruph.cornell.edu/sss/sss.html and you should be able to download the computer simulations for free (at least as of February 2004.) This paperback book is a very helpful companion to these programs and includes lots of useful exercises as well as concise summaries of the basic concepts of solid state physics without getting lost in mathematical derivations like most textbooks seem to do.

Note on CD.......2000-07-19

This is not a review. In case anyone misses it the CD with the simulations is only available with the hard cover version of this book. Be aware of this when you make a choice to buy the book.

Excellent collection of computer simulations.......1999-09-24

This is an excellent collection of solid state physics computer simulations that I recommend highly.

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Principles in Pulsed Magnet Design
Robert Kratz , and Peter Wyder
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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Transient Electronics: Pulsed Circuit Technology

ASIN: 3540437010

Book Description

This book deals with the design of pulsed, non-destructive coils for the generation of high magnetic fields. Its purpose is to provide the designer of a pulsed field facility, the curious student, and the scientist with a concise and comprehensive text describing every aspect of coil construction. Special emphasis is placed on first-order calculations, which allow estimations with pencil and paper and are important for an understanding of the basic design principles. These design formulas are then supplemented by numerical calculations and simulations.

Novel Methods in Soft Matter Simulations (Lecture Notes in Physics)

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Novel Methods in Soft Matter Simulations (Lecture Notes in Physics)

Manufacturer: Springer
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Binding: Hardcover

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ASIN: 3540209166

Book Description

Soft matter and biological systems pose many challenges for theoretical, experimental and computational research. From the computational point of view, these many-body systems cover variations in relevant time and length scales over many orders of magnitude. Indeed, the macroscopic properties of materials and complex fluids are ultimately to be deduced from the dynamics of the microsopic, molecular level. In these lectures, internationally renowned experts offer a tutorial presentation of novel approaches for bridging these space and time scales in realistic simulations. This volume addresses graduate students and nonspecialist researchers from related areas seeking a high-level but accessible introduction to the state of the art in soft matter simulations.

Monte Carlo Simulation in Statistical Physics

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A graduate level book (Review for the 4th edition)

Monte Carlo Simulation in Statistical Physics
K. Binder , and D.W. Heermann
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 3540432213

Book Description

Monte Carlo Simulation in Statistical Physics deals with the computer simulation of many-body systems in condensed-matter physics and related fields of physics, chemistry and beyond, to traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, probability distributions are calculated, allowing the estimation of the thermodynamic properties of various systems. This book describes the theoretical background to several variants of these Monte Carlo methods and gives a systematic presentation from which newcomers can learn to perform such simulations and to analyze their results. This fourth edition has been updated and a new chapter on Monte Carlo simulation of quantum-mechanical problems has been added. To help students in their work a special web server has been installed to host programs and discussion groups (http://wwwcp.tphys.uni-heidelberg.de). Prof. Binder was the winner of the Berni J. Alder CECAM Award for Computational Physics 2001.

Customer Reviews:

A graduate level book (Review for the 4th edition).......2007-03-09

This is a nice little book written by two experts of the field. This edition is only an expanded version of earlier editions (by addition of two new chapters, the core of the book chapter 1 to 3 hasn't change at all). The book covers monte carlo techniques through various well-known examples (Ising model, random walk, percolation, self-avoiding random walk). I enjoyed reading the first 3 chapters of the book. In particular, chapter 3 guides the readers and gives them the chance to practice what they should have learned in previous chapter (through 53 exercises). The following 2 chapters (chapter 4 and 5) are not as nicely written. Moreover, there are some serious shortcoming in the book. (1) All codes are written in Fortran. While everyone who can program can easily understand the codes, Fortran belongs to the past and could have been ok for physics students during late 80's (first edition) but not for those at 2006. (2) The guide (chapter 3) should have been the last chapter and have covered subjects in chapters 4 and 5 (3) As I mentioned before, chapter 4 and 5 are not well-organized. (4) The book in general stresses too much on finite-size effects. However, it is an important subject and it tells us how we can scale our simulation result to more realistic cases. By my judgement, the book gives wrong impression about the degree of its importance.

I recommend graduate students who are serious about learning monte carlo methods to read Newman and Barkema book (Monte Carlo Methods in Statistical Physics) instead since it provides a broader view about the subject. Although I highly recommend those who are interested in the subject to go through chapter 3. It is fun and very instructive.

Computer Simulation of Dynamic Phenomena (Scientific Computation)

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Excellent Book Highly Recommended for any serious work in the field
This book is the description of the algorithm of the HEMP code

Computer Simulation of Dynamic Phenomena (Scientific Computation)
Mark L. Wilkins
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 3540630708

Book Description

This text describes computer programs for simulating phenomena in hydrodynamics, gas dynamics, and elastic plastic flow in one, two, and three dimensions. Included in the two-dimensional program are Maxwell's equations, and thermal and radiation diffusion. The numerical procedures described in the text permit the exact conservation of physical properties in the solutions of the fundamental laws of mechanics. The author also treats materials, including the use of simulation programs to predict material behavior.

Customer Reviews:

Excellent Book Highly Recommended for any serious work in the field.......2007-03-29

This book is a development of Wilkins early paper (Calculation of Elastic-Plastic Flow) followed by a generalization to 3 dimensions of his finite difference equations for solving fluid flow mechanics. The work presented forms the basis of many finite difference programs providing stable methods for solving partial differential equations of fluid flow for high velocity plastic deformations and magneto hydro dynamics. The book is easy to read and complete, he is highly recommended for any serious work in the field.

This book is the description of the algorithm of the HEMP code.......2007-03-06

I gave this book 3 stars not because it's badly written or uninformative, but because you are bound to be disappointed when you open it since it doesn't correspond to the expectations its title generates.

The book is not about computer simulations of impact in general, but about the method used by Wilkins in his HEMP code. In this book, he explains the various parts of his algorithm. For instance, he explains his method of solution of the PDEs (a Lagrangian finite-volume-type method), his material models, etc. Wilkins and HEMP are well-known and well-respected names in the field, so the book is a very valuable addition to any collection on the subject. However, many of the methods described in this book have been replaced by more advanced ones. So the book is a good introductory reference for those who are new to the subject, but it is not where you will learn the state of the art (for the state-of-the art, David Benson's papers provide good information and useful recent references...).

Advanced Physical Models for Silicon Device Simulation (Computational Microelectronics)

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strange

Advanced Physical Models for Silicon Device Simulation (Computational Microelectronics)
Andreas Schenk
Manufacturer: Springer
ProductGroup: Book
Binding: Hardcover

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ASIN: 3211830529

Book Description

The quality of physical models is decisive for the understanding of the physical processes in semiconductor devices and for a reliable prediction of the behavior of a new generation of devices. The first part of the book contains a critical review on models for silicon device simulators, which rely on moments of the Boltzmann equation. With reference to fundamental experimental and theoretical work, an extensive collection of widely used models is discussed in terms of physical accuracy and application results. The second part outlines the derivation of physics-based models for bulk mobility, band-to-band tunneling, defect-assisted tunneling, thermal recombination, non-ideal metal-semiconductor contact, and direct and multiphonon-assisted tunneling through insulating layers, all from a microscopic level. The models are compared with experimental data and applied to a number of simulation examples. This part also describes some new approaches of "taylored quantum mechanics” for deriving device models from "first principles” and the fundamental problems therein.

Customer Reviews:

strange.......1999-09-13

Does anyone can explain, how the book's rank over 750,000 and no one have reviewed it ?

Atomic and Ion Collisions in Solids and at Surfaces: Theory, Simulation and Applications

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Atomic and Ion Collisions in Solids and at Surfaces: Theory, Simulation and Applications

Manufacturer: Cambridge University Press
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Binding: Paperback

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Ion-Solid Interactions: Fundamentals and Applications (Cambridge Solid State Science Series)

ASIN: 0521020301

Book Description

This book is an introduction to the application of computer simulation and theory in the study of the interaction of energetic particles (1 ev to the MeV range) with solid surfaces. The authors describe methods that are applicable both to hard collisions between nuclear cores of atoms down to soft interactions, where chemical effects or long-range forces dominate. The range of potential applications of the technique is enormous. In surface science, applications include surface atomic structure determination using ion scattering spectroscopy or element analysis using SIMS or other techniques that involve depth profiling. Industrial applications include optical or hard coating deposition, ion implantation in semiconductor device manufacture or nanotechnology. The techniques described will facilitate studying plasma-sidewall interaction in fusion devices. This book will be of interest to graduate students and researchers, both academic and industrial, in surface science, semiconductor engineering, thin-film deposition and particleSHsurface interactions in departments of physics, chemistry and electrical engineering.

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