Computer Modelling Of Structural Transformations Of Nanopores In Fcc Metals

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Computer Modelling of Structural Transformations of Nanopores in Fcc Metals

Author : M.D. Starostenkov
Publisher : Materials Research Forum LLC
ISBN 13 : 1644900505
Total Pages : 130 pages
Book Rating : 4.6/5 (449 download)

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Book Synopsis Computer Modelling of Structural Transformations of Nanopores in Fcc Metals by : M.D. Starostenkov

Download or read book Computer Modelling of Structural Transformations of Nanopores in Fcc Metals written by M.D. Starostenkov and published by Materials Research Forum LLC. This book was released on 2019-11-25 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book focuses on the effects of shock waves on vacancies and their clusters in fcc crystals. It is shown that high-speed cooperative atomic displacements represent a powerful tool for the purposeful modification of defect structures in crystalline bodies. The results are important for radiation material science, nano-engineering, the study of shock wave effects and the ultrasonic treatment of materials. Keywords: Computer Modelling of Nanopores, Molecular Dynamics, Fcc Metals, Defect Structures in Crystals, Radiation Material Science, Nano-Engineering of Materials, Ultrasonic Treatment of Materials, Radiation Induced Defects, Vacancy Clusters, Shock Wave Effects, Radiation-Resistant Materials, Thermomechanical Processing, Energy Transfer Mechanism, Nanopore Nucleation, Nanopore Based Filters, Nanopore Based Detectors, Cooling Elements in Nano-Electronics.

Chemical Abstracts

Author :
Publisher :
ISBN 13 :
Total Pages : 2566 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Chemical Abstracts by :

Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2566 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Classical and Quantum Dynamics in Condensed Phase Simulations

Author : Bruce J Berne
Publisher : World Scientific
ISBN 13 : 9814496057
Total Pages : 880 pages
Book Rating : 4.8/5 (144 download)

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Book Synopsis Classical and Quantum Dynamics in Condensed Phase Simulations by : Bruce J Berne

Download or read book Classical and Quantum Dynamics in Condensed Phase Simulations written by Bruce J Berne and published by World Scientific. This book was released on 1998-06-17 with total page 880 pages. Available in PDF, EPUB and Kindle. Book excerpt: The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems. This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically. Contents:Barrier Crossing: Classical Theory of Rare but Important Events (D Chandler)Monte Carlo Simulations (D Frenkel)Molecular Dynamics Methods for the Enhanced Sampling of Phase Space (B J Berne)Constrained and Nonequilibrium Molecular Dynamics (G Ciccotti & M Ferrario)From Erying to Kramers: Computation of Diffusive Barrier Crossing Rates (M J Ruiz-Montero)Monte Carlo Methods for Sampling of Rare Event States (W Janke)Proton Transfer in Ice (D Marx)Nudged Elastic Band Method for Finding Minimum Energy Paths of Transitions (H Jónsson et al.)RAW Quantum Transition State Theory (G Mills et al.)Dynamics of Peptide Folding (R Elber et al.)Theoretical Studies of Activated Processes in Biological Ion Channels (B Roux & S Crouzy)The Semiclassical Initial Value Representation for Including Quantum Effects in Molecular Dynamics Simulations (W H Miller)Tunneling in the Condensed Phase: Barrier Crossing and Dynamical Control (N Makri)Feynman Path Centroid Methods for Condensed Phase Quantum Dynamics (G A Voth)Quantum Molecular Dynamics Using Wigner Representation (V S Filinov et al.)Nonadiabatic Molecular Dynamics Methods for Diffusion (D Laria et al.)and other papers Readership: Computational and statistical physicists. Keywords:Quantum;Molecular Dynamics;DynamicsReviews: “… this volume is a useful introduction to currently popular, and widely-used techniques in chemical and statistical physics. The authors are well-respected researchers in the field and the level is appropriate to graduate students and researchers.” Journal of Statistical Physics

Structure and Dynamics of Confined Polymers

Author : John J. Kasianowicz
Publisher : Springer Science & Business Media
ISBN 13 : 9781402006975
Total Pages : 46 pages
Book Rating : 4.0/5 (69 download)

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Book Synopsis Structure and Dynamics of Confined Polymers by : John J. Kasianowicz

Download or read book Structure and Dynamics of Confined Polymers written by John J. Kasianowicz and published by Springer Science & Business Media. This book was released on 2002-07-31 with total page 46 pages. Available in PDF, EPUB and Kindle. Book excerpt: Polymers are essential to biology because they can have enough stable degrees of freedom to store the molecular code of heredity and to express the sequences needed to manufacture new molecules. Through these they perform or control virtually every function in life. Although some biopolymers are created and spend their entire career in the relatively large free space inside cells or organelles, many biopolymers must migrate through a narrow passageway to get to their targeted destination. This suggests the questions: How does confining a polymer affect its behavior and function? What does that tell us about the interactions between the monomers that comprise the polymer and the molecules that confine it? Can we design and build devices that mimic the functions of these nanoscale systems? The NATO Advanced Research Workshop brought together for four days in Bikal, Hungary over forty experts in experimental and theoretical biophysics, molecular biology, biophysical chemistry, and biochemistry interested in these questions. Their papers collected in this book provide insight on biological processes involving confinement and form a basis for new biotechnological applications using polymers. In his paper Edmund DiMarzio asks: What is so special about polymers? Why are polymers so prevalent in living things? The chemist says the reason is that a protein made of N amino acids can have any of 20 different kinds at each position along the chain, resulting in 20 N different polymers, and that the complexity of life lies in this variety.

Adsorption and Diffusion

Author : Hellmut G. Karge
Publisher : Springer Science & Business Media
ISBN 13 : 3540739661
Total Pages : 411 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Adsorption and Diffusion by : Hellmut G. Karge

Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.

Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control

Author : Benedetto Corain
Publisher : Elsevier
ISBN 13 : 0080555004
Total Pages : 471 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control by : Benedetto Corain

Download or read book Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control written by Benedetto Corain and published by Elsevier. This book was released on 2011-08-11 with total page 471 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control deals with the synthesis of metal nanoclusters along all known methodologies. Physical and chemical properties of metal nanoclusters relevant to their applications in chemical processing and materials science are covered thoroughly. Special attention is given to the role of metal nanoclusters size and shape in catalytic processes and catalytic applications relevant to industrial chemical processing.An excellent text for expanding the knowledge on the chemistry and physics of metal nanoclusters. Divided in two parts; Part I deals with general aspects of the matter and Part II has to be considered a useful handbook dealing with the production of metal nanoclusters, especially from their size-control point of view. * Divided into two parts for ease of reference: general and operational * Separation of synthetic aspects, physical properties and applications* Specific attention is given to the task of metal nanoclusters size-control

Nanocatalysis

Author : Vivek Polshettiwar
Publisher : John Wiley & Sons
ISBN 13 : 1118609808
Total Pages : 670 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Nanocatalysis by : Vivek Polshettiwar

Download or read book Nanocatalysis written by Vivek Polshettiwar and published by John Wiley & Sons. This book was released on 2013-09-06 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exhibiting both homogeneous and heterogeneous catalytic properties, nanocatalysts allow for rapid and selective chemical transformations, with the benefits of excellent product yield and ease of catalyst separation and recovery. This book reviews the catalytic performance and the synthesis and characterization of nanocatalysts, examining the current state of the art and pointing the way towards new avenues of research. Moreover, the authors discuss new and emerging applications of nanocatalysts and nanocatalysis, from pharmaceuticals to fine chemicals to renewable energy to biotransformations. Nanocatalysis features contributions from leading research groups around the world. These contributions reflect a thorough review of the current literature as well as the authors’ first-hand experience designing and synthesizing nanocatalysts and developing new applications for them. The book’s nineteen chapters offer a broad perspective, covering: Nanocatalysis for carbon-carbon and carbon-heteroatom coupling reactions Nanocatalysis for various organic transformations in fine chemical synthesis Nanocatalysis for oxidation, hydrogenation, and other related reactions Nanomaterial-based photocatalysis and biocatalysis Nanocatalysts to produce non-conventional energy such as hydrogen and biofuels Nanocatalysts and nano-biocatalysts in the chemical industry Readers will also learn about the latest spectroscopic and microscopy tools used in advanced characterization methods that shed new light on nanocatalysts and nanocatalysis. Moreover, the authors offer expert advice to help readers develop strategies to improve catalytic performance. Summarizing and reviewing all the most important advances in nanocatalysis over the last two decades, this book explains the many advantages of nanocatalysts over conventional homogeneous and heterogeneous catalysts, providing the information and guidance needed for designing green, sustainable catalytic processes.

Multiscale Deformation and Fracture in Materials and Structures

Author : T-J. Chuang
Publisher : Springer Science & Business Media
ISBN 13 : 0306469529
Total Pages : 451 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Multiscale Deformation and Fracture in Materials and Structures by : T-J. Chuang

Download or read book Multiscale Deformation and Fracture in Materials and Structures written by T-J. Chuang and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 451 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Solid Mechanics considers phenomena at many levels, ranging from nano size at atomic scale through the continuum level at millimeter size to large structures at the tens of meter scale. The deformation and fracture behavior at these various scales are inextricably related to interdisciplinary methods derived from applied mathematics, physics, chemistry, and engineering mechanics. This book, in honor of James R. Rice, contains articles from his colleagues and former students that bring these sophisticated methods to bear on a wide range of problems. Articles discussing problems of deformation include topics of dislocation mechanics, second particle effects, plastic yield criterion on porous materials, hydrogen embrittlement, solid state sintering, nanophases at surfaces, adhesion and contact mechanics, diffuse instability in geomaterials, and percolation in metal deformation. In the fracture area, the topics include: elastic-plastic crack growth, dynamic fracture, stress intensity and J-integral analysis, stress-corrosion cracking, and fracture in single crystal, piezoelectric, composite and cementitious materials. The book will be a valuable resource for researchers in modern solid mechanics and can be used as reference or supplementary text in mechanical and civil engineering, applied mechanics, materials science, and engineering graduate courses on fracture mechanics, elasticity, plasticity, mechanics of materials or the application of solid mechanics to processing, and reliability of life predictions.

Density Functional Theory

Author : David S. Sholl
Publisher : John Wiley & Sons
ISBN 13 : 1118211049
Total Pages : 252 pages
Book Rating : 4.1/5 (182 download)

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Book Synopsis Density Functional Theory by : David S. Sholl

Download or read book Density Functional Theory written by David S. Sholl and published by John Wiley & Sons. This book was released on 2011-09-20 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.

The Role of Topology in Materials

Author : Sanju Gupta
Publisher : Springer
ISBN 13 : 3319765965
Total Pages : 297 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis The Role of Topology in Materials by : Sanju Gupta

Download or read book The Role of Topology in Materials written by Sanju Gupta and published by Springer. This book was released on 2018-04-21 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the most important advances in the class of topological materials and discusses the topological characterization, modeling and metrology of materials. Further, it addresses currently emerging characterization techniques such as optical and acoustic, vibrational spectroscopy (Brillouin, infrared, Raman), electronic, magnetic, fluorescence correlation imaging, laser lithography, small angle X-ray and neutron scattering and other techniques, including site-selective nanoprobes. The book analyzes the topological aspects to identify and quantify these effects in terms of topology metrics. The topological materials are ubiquitous and range from (i) de novo nanoscale allotropes of carbons in various forms such as nanotubes, nanorings, nanohorns, nanowalls, peapods, graphene, etc. to (ii) metallo-organic frameworks, (iii) helical gold nanotubes, (iv) Möbius conjugated polymers, (v) block co-polymers, (vi) supramolecular assemblies, to (vii) a variety of biological and soft-matter systems, e.g. foams and cellular materials, vesicles of different shapes and genera, biomimetic membranes, and filaments, (viii) topological insulators and topological superconductors, (ix) a variety of Dirac materials including Dirac and Weyl semimetals, as well as (x) knots and network structures. Topological databases and algorithms to model such materials have been also established in this book. In order to understand and properly characterize these important emergent materials, it is necessary to go far beyond the traditional paradigm of microscopic structure–property–function relationships to a paradigm that explicitly incorporates topological aspects from the outset to characterize and/or predict the physical properties and currently untapped functionalities of these advanced materials. Simulation and modeling tools including quantum chemistry, molecular dynamics, 3D visualization and tomography are also indispensable. These concepts have found applications in condensed matter physics, materials science and engineering, physical chemistry and biophysics, and the various topics covered in the book have potential applications in connection with novel synthesis techniques, sensing and catalysis. As such, the book offers a unique resource for graduate students and researchers alike.

Zeolites and Metal-organic Frameworks

Author : Vincent Blay
Publisher :
ISBN 13 : 9789462985568
Total Pages : 0 pages
Book Rating : 4.9/5 (855 download)

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Book Synopsis Zeolites and Metal-organic Frameworks by : Vincent Blay

Download or read book Zeolites and Metal-organic Frameworks written by Vincent Blay and published by . This book was released on 2018 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book examines Zeolites and Metal-Organic Frameworks. It explains the different synthetic routes available to prepare these materials, and examines how they are used by science and industry.

Heterostructured Materials

Author : Xiaolei Wu
Publisher : CRC Press
ISBN 13 : 100035332X
Total Pages : 796 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Heterostructured Materials by : Xiaolei Wu

Download or read book Heterostructured Materials written by Xiaolei Wu and published by CRC Press. This book was released on 2021-11-24 with total page 796 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterostructured (HS) materials represent an emerging class of materials that are expected to become a major research field for the communities of materials, mechanics, and physics in the next couple of decades. One of the biggest advantages of HS materials is that they can be produced by large-scale industrial facilities and technologies and therefore can be commercialized without the scaling up and high-cost barriers that are often encountered by other advanced materials. This book collects recent papers on the progress in the field of HS materials, especially their fundamental physics. The papers are arranged in a sequence of chapters that will help new researchers entering the field to have a quick and comprehensive understanding of HS materials, including the fundamentals and recent progress in their processing, characterization, and properties.

Fifty Materials That Make the World

Author : Ian Baker
Publisher : Springer
ISBN 13 : 3319787667
Total Pages : 271 pages
Book Rating : 4.3/5 (197 download)

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Book Synopsis Fifty Materials That Make the World by : Ian Baker

Download or read book Fifty Materials That Make the World written by Ian Baker and published by Springer. This book was released on 2018-06-21 with total page 271 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces materials and how advances in materials result in advances in technology and our daily lives. Each chapter covers a particular material, how the material was discovered or invented, when it was first used, how this material has impacted the world, what makes the material important, how it is used today, and future applications. The list of materials covered in this book includes stone, wood, natural fibers, metals, clay, lead, iron, steel, silicon, glass, rubber, composites, polyethylene, rare earth magnet, and alloys.

Materials Under Extreme Conditions

Author : A.K. Tyagi
Publisher : Elsevier
ISBN 13 : 0128014423
Total Pages : 870 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Materials Under Extreme Conditions by : A.K. Tyagi

Download or read book Materials Under Extreme Conditions written by A.K. Tyagi and published by Elsevier. This book was released on 2017-01-13 with total page 870 pages. Available in PDF, EPUB and Kindle. Book excerpt: Materials Under Extreme Conditions: Recent Trends and Future Prospects analyzes the chemical transformation and decomposition of materials exposed to extreme conditions, such as high temperature, high pressure, hostile chemical environments, high radiation fields, high vacuum, high magnetic and electric fields, wear and abrasion related to chemical bonding, special crystallographic features, and microstructures. The materials covered in this work encompass oxides, non-oxides, alloys and intermetallics, glasses, and carbon-based materials. The book is written for researchers in academia and industry, and technologists in chemical engineering, materials chemistry, chemistry, and condensed matter physics. Describes and analyzes the chemical transformation and decomposition of a wide range of materials exposed to extreme conditions Brings together information currently scattered across the Internet or incoherently dispersed amongst journals and proceedings Presents chapters on phenomena, materials synthesis, and processing, characterization and properties, and applications Written by established researchers in the field

Deactivation And Regeneration Of Zeolite Catalysts

Author : Guisnet Michel
Publisher : World Scientific Publishing Company
ISBN 13 : 1911299530
Total Pages : 360 pages
Book Rating : 4.9/5 (112 download)

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Book Synopsis Deactivation And Regeneration Of Zeolite Catalysts by : Guisnet Michel

Download or read book Deactivation And Regeneration Of Zeolite Catalysts written by Guisnet Michel and published by World Scientific Publishing Company. This book was released on 2011-02-21 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: In chemical processes, the progressive deactivation of solid catalysts is a major economic concern and mastering their stability has become as essential as controlling their activity and selectivity. For these reasons, there is a strong motivation to understand the mechanisms leading to any loss in activity and/or selectivity and to find out the efficient preventive measures and regenerative solutions that open the way towards cheaper and cleaner processes. This book covers the fundamental and applied aspects of solid catalyst deactivation in a comprehensive way and encompasses the state of the art in the field of reactions catalyzed by zeolites. This particular choice is justified by the widespread use of molecular sieves in refining, petrochemicals and organic chemicals synthesis processes, by the large variety in the nature of their active sites (acid, base, acid-base, redox, bifunctional) and especially by their peculiar features, in terms of crystallinity, structural order and textural properties, which make them ideal models for heterogeneous catalysis. The aim of this book is to be a critical review in the field of zeolite deactivation and regeneration by collecting contributions from experts in the field which describe the factors, explain the techniques to study the causes and suggest methods to prevent (or limit) catalyst deactivation. At the same time, a selection of commercial processes and exemplar cases provides the reader with theoretical insights and practical hints on the deactivation mechanisms and draws attention to the key role played by the loss of activity on process design and industrial practice./a

Flowing Matter

Author : Federico Toschi
Publisher : Springer Nature
ISBN 13 : 3030233707
Total Pages : 309 pages
Book Rating : 4.0/5 (32 download)

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Book Synopsis Flowing Matter by : Federico Toschi

Download or read book Flowing Matter written by Federico Toschi and published by Springer Nature. This book was released on 2019-09-25 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: This open access book, published in the Soft and Biological Matter series, presents an introduction to selected research topics in the broad field of flowing matter, including the dynamics of fluids with a complex internal structure -from nematic fluids to soft glasses- as well as active matter and turbulent phenomena. Flowing matter is a subject at the crossroads between physics, mathematics, chemistry, engineering, biology and earth sciences, and relies on a multidisciplinary approach to describe the emergence of the macroscopic behaviours in a system from the coordinated dynamics of its microscopic constituents. Depending on the microscopic interactions, an assembly of molecules or of mesoscopic particles can flow like a simple Newtonian fluid, deform elastically like a solid or behave in a complex manner. When the internal constituents are active, as for biological entities, one generally observes complex large-scale collective motions. Phenomenology is further complicated by the invariable tendency of fluids to display chaos at the large scales or when stirred strongly enough. This volume presents several research topics that address these phenomena encompassing the traditional micro-, meso-, and macro-scales descriptions, and contributes to our understanding of the fundamentals of flowing matter. This book is the legacy of the COST Action MP1305 “Flowing Matter”.

Physics of Low Dimensional Systems

Author : José L. Morán-López
Publisher : Springer Science & Business Media
ISBN 13 : 0306465663
Total Pages : 466 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Physics of Low Dimensional Systems by : José L. Morán-López

Download or read book Physics of Low Dimensional Systems written by José L. Morán-López and published by Springer Science & Business Media. This book was released on 2001-05-31 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains contributions on some of the most important and current topics on the physics of low dimensional systems. The main emphasis is on the magnetic properties of surfaces, thin films, and atomic clusters. State-of-the-art techniques are discussed in detail. Techniques for the production and measurement of nanostructures are discussed, and pioneering contributions on the effect on health of these particles are presented. Important studies on semiconductor nanostructures are addressed as well as aerosol systems.