This book investigates the possible ways of improvement by applying more sophisticated electronic structure methods as well as corrections and alternatives to the supercell model. In particular, the merits of hybrid and screened functionals, as well as of the +U methods are assessed in comparison to various perturbative and Quantum

Uncertainty Quantification of Stochastic Defects in Materials investigates the uncertainty quantification methods for stochastic defects in material microstructures. It provides effective supplementary approaches for conventional experimental observation with the consideration of stochastic factors and uncertainty propagation. Pursuing a comprehensive numerical analytical system, this book establishes a fundamental framework for this

This collection of papers focus on advanced methods for predicting and avoiding the occurrence of defects in manufactured products. A new feature is included, namely, the influence of the processing-induced defects on the integrity of structures. The following topics are developed: damage modeling; damage evaluation and rupture; strain localization and

Defects in Two-Dimensional Materials addresses the fundamental physics and chemistry of defects in 2D materials and their effects on physical, electrical and optical properties. The book explores 2D materials such as graphene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMD). This knowledge will enable scientists and engineers to tune

Books about Characterization of Defects in Materials