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This special issue involves selected papers from the 2nd International Conference on Materials Science and Engineering: Recent Advances and Challenges (ICMSE-RAC 2019) hosted by Central Metallurgical Research and Development Institute (CMRDI) which was held at Cairo, Egypt during 11-13 March 2019. The present volume focuses on the development and challenges of a wide range of materials including minerals, metals, ceramics and nanostructured materials. This collection will be beneficial and interesting for the researchers concerning various fields in materials science and engineering.
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.
Selected, peer reviewed papers from the 2013 2nd International Conference on Applied Materials and Electronics Engineering (AMEE 2013), April 19-20, 2013, Hong Kong
This book represents a collection of papers presented at the 2nd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS).