دانلود کتاب Computational Materials Science: An Introduction, Second Edition

Name: Computational Materials Science: An Introduction, Second Edition
Availability: InStock
Author: Lee
ISBN: 9781498749732,1498749739

by Lee, June Gunn

عنوان فارسی: Computational Materials Science: An Introduction, Second Edition
ناشر: CRC Press
سال: 2017
ویرایش: Second edition
زبان: انگلیسی
تعداد صفحه (نسخه چاپی - نسخه الکترونیکی): 375-376
شابک: 9781498749732,1498749739
نوع فایل: PDF دانلود نرم افزار مطالعه
حجم: 7.96 مگابایت

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جزییات کتاب

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.

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