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Computational Materials Discovery
A unique and timely book providing an overview of both the methodologies and applications of computational materials design.
Modern Methods of Crystal Structure Prediction
Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field, reflecting the numerous viewpoints of the different authors. A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.
Lattice dynamics
The reason to perform calculations in material science usually falls into one of two categories: to predict or explain the origin of material properties. This thesis covers first-principle calculations for solids at extreme conditions, from both of the two mentioned categories. I primarily have studied the effects of high-pressure and high-temperature on lattice dynamics, mechanical and electronic properties. To treat the effects of temperature, ab initio molecular dynamics (AIMD) simulations and self-consistent phonon calculations, based on density functional theory, have been utilised. These approaches account for the temperature effects by considering thermally excited supercells as sampl...
Mineralogy
Mineralogy includes thirteen chapters that discuss the methodology of specific mineralogical methods, the composition of minerals from different igneous rocks, and the composition of minerals from different sedimentary rocks.It contains detailed mineralogical studies from Africa, Asia, and Europe. Chapters present different scientific mineralogical methods and detailed descriptions of minerals from different magmatic and sedimentary rocks.
Comprehensive Hard Materials
Comprehensive Hard Materials, Three Volume Set deals with the production, uses and properties of the carbides, nitrides and borides of these metals and those of titanium, as well as tools of ceramics, the superhard boron nitrides and diamond and related compounds. Articles include the technologies of powder production (including their precursor materials), milling, granulation, cold and hot compaction, sintering, hot isostatic pressing, hot-pressing, injection moulding, as well as on the coating technologies for refractory metals, hard metals and hard materials. The characterization, testing, quality assurance and applications are also covered. Comprehensive Hard Materials provides meaningfu...
Ultra-High Temperature Materials IV
This book, as the fourth volume, continues on ultra-high temperature materials with melting (sublimation or decomposition) points around or over 2500 °C. In this quality the book has over-branched cross-links with the sections and tables of the previous Volumes I-III. Similarly to Volumes I-III, the book includes a thorough treatment of the physical and chemical properties of ultra-high temperature materials, namely such as W semi- and monocarbides, and continues the description of refractory carbides, which was begun from Volume II of the series. The book will be of interest to researchers, engineers, postgraduate, graduate and undergraduate students alike. The readers are provided with the full qualitative and quantitative assessment, which is based on the latest updates in the field of fundamental physics and chemistry, nanotechnology, materials science, design and engineering.
The Natural History and Climate Change
My research and work on a book entitled Natural history and climate change lasted over twenty years. I used in it all the academic knowledge acquired during geological studies and twenty years of complex reflections on the causes and effects of climate change and the experience of a life rich in events. You will forgive me for repeating myself in the text, but it has arisen from many separate articles written during these independent studies. I combined them into one whole by conveying my knowledge and showing that science allows us today to look into the most complicated problems of our existence. The knowledge accumulated and available in the Libraries; the Internet enables independent stu...
ENERGY MODELLING IN MINERALS
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Chemical Modelling
Chemical modelling covers a wide range of hot topics and active areas in computational chemistry and related fields. With the increase in volume, velocity and variety of information, researchers can find it difficult to keep up to date with the literature in these areas. Containing both comprehensive and critical reviews, this book is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling.
Materials Informatics
Provides everything readers need to know for applying the power of informatics to materials science There is a tremendous interest in materials informatics and application of data mining to materials science. This book is a one-stop guide to the latest advances in these emerging fields. Bridging the gap between materials science and informatics, it introduces readers to up-to-date data mining and machine learning methods. It also provides an overview of state-of-the-art software and tools. Case studies illustrate the power of materials informatics in guiding the experimental discovery of new materials. Materials Informatics: Methods, Tools and Applications is presented in two parts?Methodolo...
