Download or read book Atomic Structure Prediction of Nanostructures Clusters and Surfaces written by Cristian V. Ciobanu and published by John Wiley & Sons. This book was released on 2013-02-14 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work fills the gap for a comprehensive reference conveying the developments in global optimization of atomic structures using genetic algorithms. Over the last few decades, such algorithms based on mimicking the processes of natural evolution have made their way from computer science disciplines to solid states physics and chemistry, where they have demonstrated their versatility and predictive power for many materials. Following an introduction and historical perspective, the text moves on to provide an in-depth description of the algorithm before describing its applications to crystal structure prediction, atomic clusters, surface and interface reconstructions, and quasi one-dimensional nanostructures. The final chapters provide a brief account of other methods for atomic structure optimization and perspectives on the future of the field.

Download or read book Metal Clusters at Surfaces written by Karl-Heinz Meiwes-Broer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the interaction with the contact medium, the properties of clusters may change or even disappear. Thus the physics of cluster-on-surface systems -- the main subject of this book -- is of fundamental importance. The book addresses a wide audience, from the newcomer to the expert. Starting from fundamental concepts of adsorbate-surface interactions, the modification of electronic properties through electron confinement, and concepts of cluster production, it elucidates the distinct properties of the new metallic nanostructures.

Download or read book Superatoms written by Puru Jena and published by John Wiley & Sons. This book was released on 2021-11-30 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Explore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. Readers will also benefit from the inclusion of: A thorough introduction to the rational design of superatoms using electron-counting rules Explorations of superhalogens, endohedrally doped superatoms and assemblies, and magnetic superatoms A practical discussion of atomically precise synthesis of chemically modified superatoms A concise treatment of superatoms as the building blocks of 2D materials, as well as superatom-based ferroelectrics and cluster-based materials for energy harvesting and storage Perfect for academic researchers and industrial scientists working in cluster science, energy materials, thermoelectrics, 2D materials, and CO2 conversion, Superatoms: Principles, Synthesis and Applications will also earn a place in the libraries of interested professionals in chemistry, physics, materials science, and nanoscience.

Download or read book Soft Computing in Chemical and Physical Sciences written by Kanchan Sarkar and published by CRC Press. This book was released on 2017-11-06 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book can be regarded as 'Soft computing for physicists and chemists self-taught'. It prepares the readers with a solid background of soft computing and how to adapt soft computing techniques to problem solving in physical and chemical research. Soft computing methods have been little explored by researchers in physical and chemical sciences primarily because of the absence of books that bridge the gap between the traditional computing paradigm pursued by researchers in science and the new soft computing paradigm that has emerged in computer science. This book is the interface between these primary sources and researchers in physics and chemistry.

Download or read book Advanced Topics in Contemporary Physics for Engineering written by Rui F. M. Lobo and published by CRC Press. This book was released on 2022-12-21 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book highlights cutting-edge topics in contemporary physics, discussing exciting advances and new forms of thinking in evolving fields with emphases both on natural phenomena and applications to modern engineering. It provides material for thought and practice in nanophysics, plasma physics, and electrodynamics. Nanophysics and plasmas are synergic physical areas where the whole is more than the sum of the parts (quantum, atomic and molecular, electrodynamics, photonics, condensed matter, thermodynamics, transport phenomena). The authors emphasize both fundamentals and more complex concepts, making the contents accessible as well challenging. Nanoscale properties and physical phenomena are explained under the umbrella of quantum physics. Advances made in the physical knowledge of the nanoworld, and its metrology are addressed, along with experimental achievements which have furthered studies of extreme weak forces present at nano- or sub-micron scales. The book does not focus in detail on the diversity of applications in nanotechnology and instrumentation, considering that the reader already has basic prior knowledge on that. It also covers an introduction to plasma universe phenomenology, the basics of advanced mathematics applied to the electromagnetic field, longitudinal forces in the vacuum, concepts of helicity and topological torsion, SU(2) representation of Maxwell equations, 2D representation of the electromagnetic field, the use of the fractional derivative, and ergontropic dynamics. The chapters include theory, applications, bibliographic references, and solved exercises. The synergies of the book’s topics demonstrate their potential in critical issues, such as relieving humans from barriers imposed by energetic and entropic dependencies and penetrating the realm of weak forces at the nanoscale. The book will boost both post-graduate students and mature scientists to implement new scientific and technological projects.

Download or read book Machine Learning Meets Quantum Physics written by Kristof T. Schütt and published by Springer Nature. This book was released on 2020-06-03 with total page 473 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designing molecules and materials with desired properties is an important prerequisite for advancing technology in our modern societies. This requires both the ability to calculate accurate microscopic properties, such as energies, forces and electrostatic multipoles of specific configurations, as well as efficient sampling of potential energy surfaces to obtain corresponding macroscopic properties. Tools that can provide this are accurate first-principles calculations rooted in quantum mechanics, and statistical mechanics, respectively. Unfortunately, they come at a high computational cost that prohibits calculations for large systems and long time-scales, thus presenting a severe bottleneck both for searching the vast chemical compound space and the stupendously many dynamical configurations that a molecule can assume. To overcome this challenge, recently there have been increased efforts to accelerate quantum simulations with machine learning (ML). This emerging interdisciplinary community encompasses chemists, material scientists, physicists, mathematicians and computer scientists, joining forces to contribute to the exciting hot topic of progressing machine learning and AI for molecules and materials. The book that has emerged from a series of workshops provides a snapshot of this rapidly developing field. It contains tutorial material explaining the relevant foundations needed in chemistry, physics as well as machine learning to give an easy starting point for interested readers. In addition, a number of research papers defining the current state-of-the-art are included. The book has five parts (Fundamentals, Incorporating Prior Knowledge, Deep Learning of Atomistic Representations, Atomistic Simulations and Discovery and Design), each prefaced by editorial commentary that puts the respective parts into a broader scientific context.

Download or read book Handbook of Mechanical Nanostructuring written by Mahmood Aliofkhazraei and published by John Wiley & Sons. This book was released on 2016-05-02 with total page 816 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing in-depth information on how to obtain high-performance materials by controlling their nanostructures, this ready reference covers both the bottom-up and the top-down approaches to the synthesis and processing of nanostructured materials. The focus is on advanced methods of mechanical nanostructuring such as severe plastic deformation, including high pressure torsion, equal channel angular processing, cyclic extrusion compression, accumulative roll bonding, and surface mechanical attrition treatment. As such, the contents are inherently application-oriented, with the methods presented able to be easily integrated into existing production processes. In addition, the structure-property relationships and ways of influencing the nanostructure in order to exhibit a desired functionality are reviewed in detail. The whole is rounded off by a look at future directions, followed by an overview of applications in various fields of structural and mechanical engineering. With its solutions for successful processing of complex-shaped workpieces and large-scale specimens with desired properties, this is an indispensable tool for purposeful materials design.

Download or read book Atomically Precise Nanoclusters written by Rongchao Jin and published by CRC Press. This book was released on 2021-05-30 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary goal of nanotechnology is to achieve nanoscale materials and devices with atomic precision. Toward this goal, breakthroughs have recently been made in the solution-phase synthesis and applications of atomically precise nanoclusters. This book presents the exciting progress in this new research field. The chapters are contributed by leading experts of the field and cover the synthetic methods, atomic structures, electronic and optical properties, and catalytic applications of noble metal nanoclusters. Such new nanocluster materials offer exciting opportunities for chemists and physicists to understand the fundamental science of nanoclusters, especially the atomic-level structure–property correlation and design of new materials, as well as for developing a range of applications including catalysis, biomedicine, sensing, imaging, optics, and energy conversion. The book will be of interest to readers and researchers in nanotechnology, nanochemistry, catalysis, and computational chemistry, as well as practitioners in industry R&D for new materials. It is written to be accessible to undergraduate and graduate students and, therefore, is an excellent teaching material.

Download or read book Structure and Properties of Atomic Nanoclusters written by Julio A. Alonso and published by World Scientific. This book was released on 2012 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered. Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine.

Download or read book Structure And Properties Of Atomic Nanoclusters 2nd Edition written by Julio A Alonso and published by World Scientific. This book was released on 2011-08-23 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered.Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine./a

Download or read book Computational Materials Science written by and published by Elsevier. This book was released on 2004-03-19 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational tools have been permanently deposited into the toolbox of theoretical chemists. The impact of new computational tools can hardly be overestimated, and their presence in research and applications is overwhelming. Theoretical methods such as quantum mechanics, molecular dynamics, and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs, and chemicals. This volume on Computational Material Sciences covers selected examples of notable applications of computational techniques to material science. The chapters contained in this volume include discussions of the phenomenon of chaos in chemistry, reaction network analysis, and mechanisms of formation of clusters. Details of more practical applications are also included in the form of reviews of computational design of new materials and the prediction of properties and structures of well known molecular assemblies. Current developments of effective computational methods, which will help in understanding, predicting, and optimizing periodic systems, nanostructures, clusters and model surfaces are also covered in this volume. Reviews of current computational methods applied in material science Reviews of practical applications of modelling of structures and properties of materials Cluster and periodical approaches

Download or read book In vitro Materials Design written by Roman Leitsmann and published by John Wiley & Sons. This book was released on 2015-04-29 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of the latest computational materials science methods on an atomic scale. The authors present the physical and mathematical background in sufficient detail for this highly current and important topic, but without unnecessary complications. They focus on approaches with industrial relevance, covering real-life applications taken from concrete projects that range from tribology modeling to performance optimization of integrated circuits. Following an introduction to the fundamentals, the book describes the most relevant approaches, covering such classical simulation methods as simple and reactive force field methods, as well as highly accurate quantum-mechanical methods ranging from density-functional theory to Hartree-Fock and beyond. A review of the increasingly important multiscale approaches rounds off this section. The last section demonstrates and illustrates the capabilities of the methods previously described using recent real-life examples of industrial applications. As a result, readers gain a heightened user awareness, since the authors clearly state the conditions of applicability for the respective modeling methods so as to avoid fatal mistakes.

Download or read book Atomic clusters and nanoparticles Agregats atomiques et nanoparticules written by C. Guet and published by Springer Science & Business Media. This book was released on 2002-01-10 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focused on basic science, this book reviews experiments on metal clusters in two long pedagogically written articles. Interested readers will also find articles ranging from density functional theory to computer simulations of cluster dynamics.

Download or read book Clusters Contemporary Insight in Structure and Bonding written by Stefanie Dehnen and published by Springer. This book was released on 2017-03-23 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience.

Download or read book Atomic Clusters Theory Experiments written by Ambrish Kumar Srivastava and published by Frontiers Media SA. This book was released on 2022-01-03 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Nanoclusters written by Purusottam Jena and published by Elsevier. This book was released on 2011-02-08 with total page 594 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive book on Nanoclusters comprises sixteen authoritative chapters written by leading researchers in the field. It provides insight into topics that are currently at the cutting edge of cluster science, with the main focus on metal and metal compound systems that are of particular interest in materials science, and also on aspects related to biology and medicine. While there are numerous books on clusters, the focus on clusters as a bridge across disciplines sets this book apart from others. Delivers cutting edge coverage of cluster science Covers a broad range of topics in physics, chemistry, and materials science Written by leading researchers in the field

Download or read book Noble and Precious Metals written by Mohindar Seehra and published by BoD – Books on Demand. This book was released on 2018-07-04 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of copper, silver, gold and platinum in jewelry as a measure of wealth is well known. This book contains 19 chapters written by international authors on other uses and applications of noble and precious metals (copper, silver, gold, platinum, palladium, iridium, osmium, rhodium, ruthenium, and rhenium). The topics covered include surface-enhanced Raman scattering, quantum dots, synthesis and properties of nanostructures, and its applications in the diverse fields such as high-tech engineering, nanotechnology, catalysis, and biomedical applications. The basis for these applications is their high-free electron concentrations combined with high-temperature stability and corrosion resistance and methods developed for synthesizing nanostructures. Recent developments in all these areas with up-to-date references are emphasized.