Atomic Structure Prediction of Nanostructures, Clusters and Surfaces

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Publisher : John Wiley & Sons
ISBN 13 : 3527655042
Total Pages : 212 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Atomic Structure Prediction of Nanostructures, Clusters and Surfaces by : Cristian V. Ciobanu

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.

Superatoms

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Publisher : John Wiley & Sons
ISBN 13 : 1119619564
Total Pages : 404 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Superatoms by : Puru Jena

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.

Soft Computing in Chemical and Physical Sciences

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Publisher : CRC Press
ISBN 13 : 149875595X
Total Pages : 429 pages
Book Rating : 4.4/5 (987 download)

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Book Synopsis Soft Computing in Chemical and Physical Sciences by : Kanchan Sarkar

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.

Advanced Topics in Contemporary Physics for Engineering

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Publisher : CRC Press
ISBN 13 : 1000829537
Total Pages : 371 pages
Book Rating : 4.0/5 (8 download)

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Book Synopsis Advanced Topics in Contemporary Physics for Engineering by : Rui F. M. Lobo

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.

Machine Learning Meets Quantum Physics

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Publisher : Springer Nature
ISBN 13 : 3030402452
Total Pages : 473 pages
Book Rating : 4.0/5 (34 download)

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Book Synopsis Machine Learning Meets Quantum Physics by : Kristof T. Schütt

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.

Handbook of Mechanical Nanostructuring

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Publisher : John Wiley & Sons
ISBN 13 : 3527674969
Total Pages : 816 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Handbook of Mechanical Nanostructuring by : Mahmood Aliofkhazraei

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.

Nanoalloys

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Publisher : Newnes
ISBN 13 : 0123946166
Total Pages : 433 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Nanoalloys by : Florent Calvo

Download or read book Nanoalloys written by Florent Calvo and published by Newnes. This book was released on 2013-03-12 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanoalloys: From Fundamentals to Emergent Applications presents and discusses the major topics related to nanoalloys at a time when the literature on the subject remains scarce. Particular attention is paid to experimental and theoretical aspects under the form of broad reviews covering the most recent developments. The book is organized into 11 chapters covering the most fundamental aspects of nanoalloys related to their synthesis and characterization, as well as their theoretical study. Aspects related to their thermodynamics and kinetics are covered as well. The coverage then moves to more specific topics, including optics, magnetism and catalysis, and finally to biomedical applications and the technologically relevant issue of self-assembly.With no current single reference source on the subject, the work is invaluable for researchers as the nanoscience field moves swiftly to full monetization. - Encapsulates physical science of structure, properties, size, composition and ordering at nanoscale, aiding synthesis of experimentation and modelling - Multi-expert and interdisciplinary perspectives on growth, synthesis and characterization of bimetallic clusters and particulates supports expansion of your current research activity into applications - Synthesizes concepts and draws links between fundamental metallurgy and cutting edge nanoscience, aiding interdisciplinary research activity

In-vitro Materials Design

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Publisher : John Wiley & Sons
ISBN 13 : 3527667385
Total Pages : 234 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis In-vitro Materials Design by : Roman Leitsmann

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.

Computational Modelling of Nanoparticles

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Publisher : Elsevier
ISBN 13 : 0081022751
Total Pages : 354 pages
Book Rating : 4.0/5 (81 download)

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Book Synopsis Computational Modelling of Nanoparticles by : Stefan T. Bromley

Download or read book Computational Modelling of Nanoparticles written by Stefan T. Bromley and published by Elsevier. This book was released on 2018-09-12 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. - Explores how computational modelling can be successfully applied at the nanoscale level - Includes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclusters - Offers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications

Bimetallic Nanostructures

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Publisher : John Wiley & Sons
ISBN 13 : 1119214637
Total Pages : 525 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Bimetallic Nanostructures by : Ya-Wen Zhang

Download or read book Bimetallic Nanostructures written by Ya-Wen Zhang and published by John Wiley & Sons. This book was released on 2018-05-14 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systematically summarizes the current status and recent advances in bimetallic structures, their shape-controlled synthesis, properties, and applications Intensive researches are currently being carried out on bimetallic nanostructures, focusing on a number of fundamental, physical, and chemical questions regarding their synthesis and properties. This book presents a systematic and comprehensive summary of the current status and recent advances in this field, supporting readers in the synthesis of model bimetallic nanoparticles, and the exploration and interpretation of their properties. Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is divided into three parts. Part 1 introduces basic chemical and physical knowledge of bimetallic structures, including fundamentals, computational models, and in situ characterization techniques. Part 2 summarizes recent developments in synthetic methods, characterization, and properties of bimetallic structures from the perspective of morphology effect, including zero-dimensional nanomaterials, one-dimensional nanomaterials, and two-dimensional nanomaterials. Part 3 discusses applications in electrocatalysis, heterogeneous catalysis, plasmonics and sensing. Comprehensive reference for an important multidisciplinary research field Thoroughly summarizes the present state and latest developments in bimetallic structures Helps researchers find optimal synthetic methods and explore new phenomena in surface science and synthetic chemistry of bimetallic nanostructures Bimetallic Nanostructures: Shape-Controlled Synthesis for Catalysis, Plasmonics and Sensing Applications is an excellent source or reference for researchers and advanced students. Academic researchers in nanoscience, nanocatalysis, and surface plasmonics, and those working in industry in areas involving nanotechnology, catalysis and optoelectronics, will find this book of interest.

Computational Modeling of Inorganic Nanomaterials

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Publisher : CRC Press
ISBN 13 : 1466576448
Total Pages : 429 pages
Book Rating : 4.4/5 (665 download)

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Book Synopsis Computational Modeling of Inorganic Nanomaterials by : Stefan T. Bromley

Download or read book Computational Modeling of Inorganic Nanomaterials written by Stefan T. Bromley and published by CRC Press. This book was released on 2016-04-06 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the stru

Metal Nanoparticles and Clusters

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Publisher : Springer
ISBN 13 : 3319680536
Total Pages : 431 pages
Book Rating : 4.3/5 (196 download)

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Book Synopsis Metal Nanoparticles and Clusters by : Francis Leonard Deepak

Download or read book Metal Nanoparticles and Clusters written by Francis Leonard Deepak and published by Springer. This book was released on 2017-11-17 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: ​This book covers the continually expanding field of metal nanoparticles and clusters, in particular their size-dependent properties and quantum phenomena. The approaches to the organization of atoms that form clusters and nanoparticles have been advancing rapidly in recent times. These advancements are described through a combination of experimental and computational approaches and are covered in detail by the authors. Recent highlights of the various emerging properties and applications ranging from plasmonics to catalysis are showcased.

Computational Modeling of Inorganic Nanomaterials

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Publisher : CRC Press
ISBN 13 : 9781466576414
Total Pages : 0 pages
Book Rating : 4.5/5 (764 download)

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Book Synopsis Computational Modeling of Inorganic Nanomaterials by : Stefan T. Bromley

Download or read book Computational Modeling of Inorganic Nanomaterials written by Stefan T. Bromley and published by CRC Press. This book was released on 2016-01-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offering a detailed summary of available modeling methods, both “top-down” and “bottom-up”, this book offers systematic coverage of the use of modeling in the development and application of inorganic nano-materials in industry including sensors, optics, biotechnology, and solar cells. It provides readers with the necessary information to choose the right models and methods for describing particular physical and chemical properties of inorganic materials at varying length scales. Sections include Structure and Dimensionality; Thermodynamics and Nucleation; Magnetic, Optical, and Electronic and Transport Properties; and Case Studies.

Multifunctional Inorganic Nanomaterials for Energy Applications

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Publisher : CRC Press
ISBN 13 : 1040029418
Total Pages : 451 pages
Book Rating : 4.0/5 (4 download)

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Book Synopsis Multifunctional Inorganic Nanomaterials for Energy Applications by : H.P. Nagaswarupa

Download or read book Multifunctional Inorganic Nanomaterials for Energy Applications written by H.P. Nagaswarupa and published by CRC Press. This book was released on 2024-06-19 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Disordered Materials

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Publisher : Springer Science & Business Media
ISBN 13 : 3540296107
Total Pages : 329 pages
Book Rating : 4.5/5 (42 download)

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Book Synopsis Disordered Materials by : Paolo Ossi

Download or read book Disordered Materials written by Paolo Ossi and published by Springer Science & Business Media. This book was released on 2010-03-10 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: The teaching of solid state physics essentially concerns focusing on crystals and their properties. We study crystals and their properties because of the simple and elegant results obtained from the analysis of a spatially periodic system; this is why the analysis can be made considering a small set of atoms that represent the whole system of many particles. In contrast to the formal neat approach to crystals, the study of str- turally disordered condensed systems is somewhat complicated and often leads to relatively imprecise results, not to mention the experimental and computational e?ort involved. As such, almost all university textbooks, - cluding the advanced course books, only brie?y touch on the physics of am- phous systems. In any case, both the fundamental aspect and the ever wider industrial applications have given structurally disordered matter a role that should not be overlooked. The study of amorphous solids and their structure, stability and properties is a vibrant research branch; it is di?cult to imagine how any physicist, chemist or engineer who has to deal with materials could possibly ignore this class of systems. The author of Disordered Matter – an Introduction uses this course book atthePolitecnicoinMilan,Italy.Collectingthematerialforthecourseproved no mean task, leading him to have to prepare ad hoc didactic material. The continualexchangebetweenteacherandstudenthasledtothepresentversion of the book.

Disordered Materials

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Publisher : Springer Nature
ISBN 13 : 3662684284
Total Pages : 380 pages
Book Rating : 4.6/5 (626 download)

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Book Synopsis Disordered Materials by : Paolo M. Ossi

Download or read book Disordered Materials written by Paolo M. Ossi and published by Springer Nature. This book was released on with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Energy and Water, and Related Agencies Appropriations for Fiscal Year ...

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Publisher :
ISBN 13 :
Total Pages : 1800 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Energy and Water, and Related Agencies Appropriations for Fiscal Year ... by : United States. Congress. Senate. Committee on Appropriations

Download or read book Energy and Water, and Related Agencies Appropriations for Fiscal Year ... written by United States. Congress. Senate. Committee on Appropriations and published by . This book was released on 2007 with total page 1800 pages. Available in PDF, EPUB and Kindle. Book excerpt: