Computational Materials Science

This book PDF is perfect for those who love Science genre, written by June Gunn Lee and published by CRC Press which was released on 25 November 2016 with total hardcover pages 365. You could read this book directly on your devices with pdf, epub and kindle format, check detail and related Computational Materials Science books below.

Computational Materials Science
Computational Materials Science
Author : June Gunn Lee
File Size : 55,7 Mb
Publisher : CRC Press
Language : English
Release Date : 25 November 2016
ISBN : 9781498749756
Pages : 365 pages
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Computational Materials Science by June Gunn Lee Book PDF 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 and hybrid-functional methods. It offers 14 new worked examples in the LAMMPS, Quantum Espresso, VASP and MedeA-VASP programs, including computation of stress-strain behavior of Si-CNT composite, mean-squared displacement (MSD) of ZrO2-Y2O3, band structure and phonon spectra of silicon, and Mo-S battery system. It discusses methods once considered too expensive but that are now cost-effective. New examples also include various post-processed results using VESTA, VMD, VTST, and MedeA.

Computational Materials Science

Computational Materials Science by June Gunn Lee

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

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Introduction to Computational Materials Science

Introduction to Computational Materials Science by Richard LeSar

Emphasising essential methods and universal principles, this textbook provides everything students need to understand the basics of simulating materials behaviour. 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

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Computational Materials Science

Computational Materials Science by Kaoru Ohno,Keivan Esfarjani,Yoshiyuki Kawazoe

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

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Computational Materials Science

Computational Materials Science by June Gunn Lee

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

Get Book
Computational Materials Engineering

Computational Materials Engineering by Koenraad George Frans Janssens,Dierk Raabe,Ernest Kozeschnik,Mark A Miodownik,Britta Nestler

Computational Materials Engineering is an advanced introduction to the computer-aided modeling of essential material properties and behavior, including the physical, thermal and chemical parameters, as well as the mathematical tools used to perform simulations. Its emphasis will be on crystalline materials, which includes all metals. The basis of Computational Materials

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Computational Materials Science

Computational Materials Science by Wofram Hergert,Arthur Ernst,Markus Däne

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.

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Computational Materials Science

Computational Materials Science by Dierk Raabe

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

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Topics in Computational Materials Science

Topics in Computational Materials Science by Ching-yao Fong

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

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