The development of materials for clean and efficient energy generation and storage is one of the most rapidly developing, multi-disciplinary areas of contemporary science, driven primarily by concerns over global warming, diminishing fossil-fuel reserves, the need for energy security, and increasing consumer demand for portable electronics. Computational methods are now an integral and indispensable part of the materials characterisation and development process. Computational Approaches to Energy Materials presents a detailed survey of current computational techniques for the development and optimization of energy materials, outlining their strengths, limitations, and future applications. The review of techniques includes current methodologies based on electronic structure, interatomic potential and hybrid methods. The methodological components are integrated into a comprehensive survey of applications, addressing the major themes in energy research. Topics covered include: • Introduction to computational methods and approaches • Modelling materials for energy generation applications: solar energy and nuclear energy • Modelling materials for storage applications: batteries and hydrogen • Modelling materials for energy conversion applications: fuel cells, heterogeneous catalysis and solid-state lighting • Nanostructures for energy applications This full colour text is an accessible introduction for newcomers to the field, and a valuable reference source for experienced researchers working on computational techniques and their application to energy materials.

Until recently, engineering materials could be characterized successfully using relatively simple testing procedures. As materials technology advances, interest is growing in materials possessing complex meso-, micro- and nano-structures, which to a large extent determine their physical properties and behaviour. The purposes of materials modelling are many: optimization, investigation of failure, simulation of production processes, to name but a few. Modelling and characterisation are closely intertwined, increasingly so as the complexity of the material increases. Characterisation, in essence, is the connection between the abstract material model and the real-world behaviour of the material in question. Characterisation of complex materials therefore may require a combination of experimental techniques and computation. This book publishes papers presented at the Third International Conference on Computational Methods and Experiments in Material Characterisation.Topics covered include: Composites; Ceramics; Alloys; Cements and Cement Based Materials; Biomaterials; Thin Films and Coatings; Advanced Materials; Imaging Analysis; Thermal Analysis; New Methods; Surface Chemistry, Nano Indentation; Continuum Methods; Particle Models; Damage Mechanics; Innovative Techniques; Stochastic Methods.

Bringing together the work of practitioners in many fields of engineering, materials and computational science, this book includes most of the papers presented at the Second International Conference on Material Characterisation. Compiled with the central aim of encouraging interaction between experimentalists and modelers, the contributions featured are divided under the following sections: MICROSTRUCTURES ? Composites; Alloys; Ceramics; Cements; Foams; Suspensions; Biomaterials; Thin Films; Coatings. EXPERIMENTAL METHODS - Optical Imaging; SEM, TEM; X-Ray Microtomography; Ultrasonic Techniques; NMR/MRI; Micro/Nano Indentation; Thermal Analysis; Surface Chemistry. COMPUTATIONAL METHODS - Continuum Methods (FEM, FV, BEM); Particle Models (MD, DPD, Lattice-Boltzmann); Montecarlo Methods; Cellular Automata; Hybrid Multiscale Methods; and Damage Mechanics.

Synthesis, Modelling and Characterization of 2D Materials and Their Heterostructures provides a detailed discussion on the multiscale computational approach surrounding atomic, molecular and atomic-informed continuum models. In addition to a detailed theoretical description, this book provides example problems, sample code/script, and a discussion on how theoretical analysis provides insight into optimal experimental design. Furthermore, the book addresses the growth mechanism of these 2D materials, the formation of defects, and different lattice mismatch and interlayer interactions. Sections cover direct band gap, Raman scattering, extraordinary strong light matter interaction, layer dependent photoluminescence, and other physical properties. - Explains multiscale computational techniques, from atomic to continuum scale, covering different time and length scales - Provides fundamental theoretical insights, example problems, sample code and exercise problems - Outlines major characterization and synthesis methods for different types of 2D materials

"A thoroughly updated and expanded new edition, this work features a logical, detailed, and self-contained coverage of the latest materials characterization techniques. Reflecting the enormous progress in the field since the last edition, this book details a variety of new powerful and accessible tools, improvements in methods arising from new instrumentation and approaches to sample preparation, and characterization techniques for new types of materials, such as nanomaterials. Researchers in materials science and related fields will be able to identify and apply the most appropriate method in their work"--

This book presents a comprehensive overview of the various characterisation techniques involved in solid state research. The generalised approach offers a deeper understanding of the benefits, drawbacks and overlap within different characterisation techniques. In particular, the book examines techniques within diffraction, microscopy and spectroscopy and discusses thermal, electric and magnetic characterisation.

This book presents a review of techniques based on waveguide systems, striplines, freespace systems and more, discussing the salient features of each method in detail. Since metamaterials are typically inhomogeneous and anisotropic, the experimental techniques for electromagnetic (EM) material characterization of metamaterial structures need to tackle several challenges. Furthermore, the modes supported by metamaterial structures are extremely sensitive to external perturbations. As such the measurement fixtures for EM material characterization have to be modified to account for such effects. The book provides a valuable resource for researchers working in the field of metamaterials