This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) density functional theory and CALPHAD modeling; (2) computational tools; and (3) applications of computational thermodynamics. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting total entropy of a system...

This book compiles selected publications authored or co-authored by the editor to present a comprehensive understanding of following topics: (1) fundamentals of thermodynamics, Materials Genome®, and zentropy theory; (2) zentropy theory for prediction of positive and negative thermal expansions. It is noted that while entropy at one scale is well represented by standard statistical mechanics in terms of probability of individual configurations at that scale, the theory capable of counting ...

This book provides a systematic and comprehensive interdisciplinary overview of ductile mode cutting of brittle materials, covering a range of topics from the fundamental physics to engineering practices. Discussing the machining mechanics and material properties, it explains the fundamental mechanism of ductile-to-brittle transition in the cutting of brittle materials. It also presents theoretical modeling and molecular dynamic simulation to demonstrate that ductile mode cutting can be ac...

This unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of ther...

Everyone is familiar with the amazing performance of a modern smartphone, powered by a billion-plus nanotransistors, each having an active region that is barely a few hundred atoms in length.These lecture notes are about a less appreciated by-product of the microelectronics revolution, namely the deeper understanding of current flow, and device operation that it has enabled, which forms the basis for a new approach to transport problems.The book assumes very little background beyond linear...

X-ray absorption fine structure spectroscopy (XAFS) is a powerful and versatile technique for studying structures of materials in chemistry, physics, biology and other fields. This textbook is a comprehensive, practical guide to carrying out and interpreting XAFS experiments. Assuming only undergraduate-level physics and mathematics, the textbook is ideally suited for graduate students in physics and chemistry starting XAFS-based research. It contains concise executable example programs in...

Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information ...

Building up gradually from first principles, this unique introduction to modern thermodynamics integrates classical, statistical and molecular approaches and is especially designed to support students studying chemical and biochemical engineering. In addition to covering traditional problems in engineering thermodynamics in the context of biology and materials chemistry, students are also introduced to the thermodynamics of DNA, proteins, polymers and surfaces. It includes over 80 detailed...

Nano-optics is the study of optical phenomena and techniques on the nanometer scale, that is, near or beyond the diffraction limit of light. It is an emerging field of study, motivated by the rapid advance of nanoscience and nanotechnology which require adequate tools and strategies for fabrication, manipulation and characterization at this scale. In this 2006 text the authors provide a comprehensive overview of the theoretical and experimental concepts necessary to understand and work in ...

Diseases, the second volume in the four volume set, The Mouse in Biomedical Research, departs from the first edition, by discussing specific disease causing microorganisms, rather than the format used in the first edition which discussed infectious diseases affecting specific organs and tissues. As such, the volume consists of 26 chapters subdivided into RNA viruses and DNA viruses, as well as bacterial, mycotic, and parasitic infections. These chapters not only provide updates on pathogen...

This consistent and systematic review of recent advances in optical antenna theory and practice brings together leading experts in the fields of electrical engineering, nano-optics and nano-photonics, physical chemistry and nanofabrication. Fundamental concepts and functionalities relevant to optical antennas are explained, together with key principles for optical antenna modelling, design and characterisation. Recognising the tremendous potential of this technology, practical applications...

First published in 2006, this book has become the standard reference on nano-optics. Now in its second edition, the text has been thoroughly updated to take into account new developments and research directions. While the overall structure and pedagogical style of the book remain unchanged, all existing chapters have been expanded and a new chapter has been added. Adopting a broad perspective, the authors provide a detailed overview of the theoretical and experimental concepts that are nee...