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CRC Press Computational Materials Science Second Edition

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Description

Master the essentials of computational science with this second edition from CRC Press. This textbook provides the necessary tools and techniques to solve complex materials science problems using molecular dynamics (MD) and first-principles methods. This updated edition expands on density functional theory (DFT), covering advancements in accuracy through GGA+U and hybrid-functional methods. Readers gain practical experience through 14 new worked examples utilizing industry-standard programs such as LAMMPS, Quantum Espresso, VASP, and MedeA-VASP. The content covers specific applications including the computation of stress-strain behavior of Si-CNT composites, mean-squared displacement (MSD) of ZrO2-Y2O3, and the analysis of band structure and phonon spectra.

Key Features

Learn to solve materials science problems using molecular dynamics (MD) and first-principles methods.

Explore advanced density functional theory (DFT) developments including GGA+U and hybrid-functional methods.

Gain practical skills with 14 new worked examples using LAMMPS, Quantum Espresso, VASP, and MedeA-VASP programs.

Study specific computational applications like stress-strain behavior of Si-CNT composites and MSD of ZrO2-Y2O3.

Analyze complex data including band structure and phonon spectra through detailed technical examples.

Product Specifications

Format
hardcover
Domain
Amazon UK
Release Date
28 November 2016
Listed Since
05 May 2016

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No barcode data available

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