Computational Materials Science: An Introduction, Second Edition

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Title:Computational Materials Science: An Introduction, Second June Gunn (Author)Description: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 Binding:Hardcover, HardcoverPublisher:CRC PressPublication Date:2016-12-01Dimensions:0.7\'\' H x 9.2\'\' L x 6.2\'\' WNumber of Pages:376Language:English