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Fundamental Concepts in Heterogeneous Catalysis
This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts. Features include: First comprehensive description of modern theory of heterogeneous catalysis Basis for understanding and designing experiments in the field Allows reader to understand catalyst design principles Introduction to important elements of energy transformation technology Test driven at Stanford University over several semesters
Data-Driven Evolutionary Modeling in Materials Technology
Due to efficacy and optimization potential of genetic and evolutionary algorithms, they are used in learning and modeling especially with the advent of big data related problems. This book presents the algorithms and strategies specifically associated with pertinent issues in materials science domain. It discusses the procedures for evolutionary multi-objective optimization of objective functions created through these procedures and introduces available codes. Recent applications ranging from primary metal production to materials design are covered. It also describes hybrid modeling strategy, and other common modeling and simulation strategies like molecular dynamics, cellular automata etc. ...
New and Future Developments in Catalysis
New and Future Developments in Catalysis is a package of seven books that compile the latest ideas concerning alternate and renewable energy sources and the role that catalysis plays in converting new renewable feedstock into biofuels and biochemicals. Both homogeneous and heterogeneous catalysts and catalytic processes will be discussed in a unified and comprehensive approach. There will be extensive cross-referencing within all volumes.Batteries and fuel cells are considered to be environmentally friendly devices for storage and production of electricity, and they are gaining considerable attention. The preparation of the feed for fuel cells (fuel) as well as the catalysts and the various ...
Dynamics
This volume of the Handbook of Surface Science covers all aspects of the dynamics of surface processes. Two dozen world leading experts in this field address the subjects of energy exchange in gas atoms, surface collisions, the rules governing dissociative adsorption on surfaces, the formation of nanostructures on surfaces by self-assembly, and the study of surface phenomena using ultra-fast lasers. The chapters are written for both newcomers to the field as well as researchers.• Covers all aspects of the dynamics of surface processes • Provides understanding of this unique field utilizing a multitude of accurate experiments and advanced microscopic theory that allows quantum-level comparisons • Presents the concepts and tools relevant beyond surface science for catalysis, nanotechnology, biology, medicine, and materials
International Assessment Of Research And Development In Catalysis By Nanostructured Materials
Catalyst technologies account for over $1 trillion of revenue in the U.S. economy alone. The applications range from medicines and alternative energy fuel cell technologies to the development of new and innovative clothing fibers. In this book, a World Technology Evaluation Center (WTEC) panel of eight experts in the field assesses the current state of research and development in catalysis by nanostructured materials, its sources of funding, and discusses the state of the field with respect to productivity and leadership in various nations around the world. In addition to showing the numerous and highly advantageous practical applications of the field, the panel concludes that Western Europe...
Uncertainty Quantification in Multiscale Materials Modeling
Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.
Multifunctional Inorganic Nanomaterials for Energy Applications
Multifunctional Inorganic Nanomaterials for Energy Applications provides deep insight into the role of multifunctional nanomaterials in the field of energy and power generation applications. It mainly focuses on the synthesis, fabrication, design, development, and optimization of novel functional inorganic nanomaterials for energy storage and saving devices. It also covers studies of inorganic electrode materials for supercapacitors, membranes for batteries and fuel cells, and materials for display systems and energy generation. Features: Explores computational and experimental methods of preparing inorganic nanomaterials and their multifunctional applications Includes synthesis and performance analysis of various functional nanomaterials for energy storage and saving applications Reviews current research directions and latest developments in the field of energy materials Discusses importance of computational techniques in designing novel nanomaterials Highlights importance of multifunctional applications of nanomaterials in the energy sector This book is aimed at graduate students and researchers in materials science, electrical engineering, and nanomaterials.
Atomic-Scale Modelling of Electrochemical Systems
Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of i...
