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Atomic Scale Dynamics at Surfaces: Theory and Experimental Studies with Helium Atom Scattering (Springer Series in Surface Sciences #63)
by Giorgio Benedek Jan Peter ToenniesExperimental advances in helium atom scattering spectroscopy over the last forty years have allowed the measurement of surface phonon dispersion curves of more than 200 different crystal surfaces and overlayers of insulators, semiconductors and metals. The first part of the book presents, at a tutorial level, the fundamental concepts and methods in surface lattice dynamics, and the theory of atom-surface interaction and inelastic scattering in their various approximations, up to the recent electron-phonon theory of helium atom scattering from conducting surfaces. The second part of the book, after introducing the experimentalist to He-atom spectrometers and the rich phenomenology of helium atom scattering from corrugated surfaces, illustrates the most significant experimental results on the surface phonon dispersion curves of various classes of insulators, semiconductors, metals, layered crystals, topological insulators, complex surfaces, adsorbates, ultra-thin films and clusters. The great potential of helium atom scattering for the study of atomic scale diffusion, THz surface collective excitations, including acoustic surface plasmons, and the future prospects of helium atom scattering are presented in the concluding chapters. The book will be valuable reading for all researchers and graduate students interested in dynamical processes at surfaces.
Atomic-Scale Electronics Beyond CMOS
by Mircea Dragoman Daniela DragomanThis book explores emerging topics in atomic- and nano-scale electronics after the era of Moore’s Law, covering both the physical principles behind, and technological implementations for many devices that are now expected to become key elements of the future of nanoelectronics beyond traditional complementary metal-oxide semiconductors (CMOS). Moore’s law is not a physical law itself, but rather a visionary prediction that has worked well for more than 50 years but is rapidly coming to its end as the gate length of CMOS transistors approaches the length-scale of only a few atoms. Thus, the key question here is: “What is the future for nanoelectronics beyond CMOS?” The possible answers are found in this book. Introducing novel quantum devices such as atomic–scale electronic devices, ballistic devices, memristors, superconducting devices, this book also presents the reader with the physical principles underlying new ways of computing, as well as their practical implementation. Topics such as quantum computing, neuromorphic computing are highlighted here as some of the most promising candidates for ushering in a new era of atomic-scale electronics beyond CMOS.
Atomic-Scale Insights into Emergent Photovoltaic Absorbers (Springer Theses)
by Alex GanoseThis book presents an original investigation into alternative photovoltaic absorbers. Solar power is a highly promising renewable energy solution; however, its success is hampered by the limited cost-effectiveness of current devices. The book assesses the photovoltaic performance of over 20 materials using state-of-the-art, first-principles methods. Adopting a computational approach, it investigates atomic-scale properties at a level of accuracy that is difficult to achieve using laboratory-based experimental techniques. Unlike many theoretical studies, it provides specific advice to those involved in experimental investigations. Further, it proposes directions for future research. This book advances the field of photovoltaics in three crucial ways: firstly, it identifies why one class of proposed materials cannot achieve high efficiency, while at the same time gaining insights that can be used to design future absorbers. Secondly, it shows that poor performance in the bismuth chalcohalides is not due to fundamental limitations, and can be overcome by finely controlling synthesis conditions. Lastly, it describes a range of new stable materials that are expected to show excellent photovoltaic performance.
Atomic Scale Interconnection Machines: Proceedings of the 1st AtMol European Workshop Singapore 28th-29th June 2011 (Advances in Atom and Single Molecule Machines)
by Christian JoachimThis volume documents the first International Workshop on Atomic Scale Interconnection Machines organised by the European Integrated Project AtMol in June 2011 in Singapore. The four sessions, discussed here in revised contributions by high level speakers, span the subjects of multi-probe UHV instrumentation, atomic scale nano-material nanowires characterization, atomic scale surface conductance measurements, surface atomic scale mechanical machineries. This state-of-the-art account brings academic researchers and industry engineers access to the tools they need to be at the forefront of the atomic scale technology revolution.
Atomic Spectroscopy and Radiative Processes (UNITEXT for Physics)
by Egidio Landi Degl'InnocentiThis book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e. g. , cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.
Atomic Spy: The Dark Lives of Klaus Fuchs
by Nancy Thorndike Greenspan"Nancy Greenspan dives into the mysteries of the Klaus Fuchs espionage case and emerges with a classic Cold War biography of intrigue and torn loyalties. Atomic Spy is a mesmerizing morality tale, told with fresh sources and empathy." --Kai Bird, author of The Good Spy and coauthor of American Prometheus: The Triumph and Tragedy of J. Robert OppenheimerThe gripping biography of a notorious Cold War villain--the German-born British scientist who handed the Soviets top-secret American plans for the plutonium bomb--showing a man torn between conventional loyalties and a sense of obligation to a greater good.German by birth, British by naturalization, Communist by conviction, Klaus Fuchs was a fearless Nazi resister, a brilliant scientist, and an infamous spy. He was convicted of espionage by Britain in 1950 for handing over the designs of the plutonium bomb to the Russians, and has gone down in history as one of the most dangerous agents in American and British history. He put an end to America's nuclear hegemony and single-handedly heated up the Cold War. But, was Klaus Fuchs really evil?Using archives long hidden in Germany as well as intimate family correspondence, Nancy Thorndike Greenspan brings into sharp focus the moral and political ambiguity of the times in which Fuchs lived and the ideals with which he struggled. As a university student in Germany, he stood up to Nazi terror without flinching, and joined the Communists largely because they were the only ones resisting the Nazis. After escaping to Britain in 1933, he was arrested as a German émigré--an "enemy alien"--in 1940 and sent to an internment camp in Canada. His mentor at university, renowned physicist Max Born, worked to facilitate his release. After years of struggle and ideological conflict, when Fuchs joined the atomic bomb project, his loyalties were firmly split. He started handing over top secret research to the Soviets in 1941, and continued for years from deep within the Manhattan Project at Los Alamos. Greenspan's insights into his motivations make us realize how he was driven not just by his Communist convictions but seemingly by a dedication to peace, seeking to level the playing field of the world powers.With thrilling detail from never-before-seen sources, Atomic Spy travels across the Germany of an ascendant Nazi party; the British university classroom of Max Born; a British internment camp in Canada; the secret laboratories of Los Alamos; and Eastern Germany at the height of the Cold War. Atomic Spy shows the real Klaus Fuchs--who he was, what he did, why he did it, and how he was caught. His extraordinary life is a cautionary tale about the ambiguity of morality and loyalty, as pertinent today as in the 1940s.
Atomic Steppe: How Kazakhstan Gave Up the Bomb
by Togzhan KassenovaAtomic Steppe tells the untold true story of how the obscure country of Kazakhstan said no to the most powerful weapons in human history. With the fall of the Soviet Union, the marginalized Central Asian republic suddenly found itself with the world's fourth largest nuclear arsenal on its territory. Would it give up these fire-ready weapons—or try to become a Central Asian North Korea? This book takes us inside Kazakhstan's extraordinary and little-known nuclear history from the Soviet period to the present. For Soviet officials, Kazakhstan's steppe was not an ecological marvel or beloved homeland, but an empty patch of dirt ideal for nuclear testing. Two-headed lambs were just the beginning of the resulting public health disaster for Kazakhstan—compounded, when the Soviet Union collapsed, by the daunting burden of becoming an overnight nuclear power. Equipped with intimate personal perspective and untapped archival resources, Togzhan Kassenova introduces us to the engineers turned diplomats, villagers turned activists, and scientists turned pacifists who worked toward disarmament. With thousands of nuclear weapons still present around the world, the story of how Kazakhs gave up their nuclear inheritance holds urgent lessons for global security.
Atomic Structure Prediction of Nanostructures, Clusters and Surfaces
by Cai-Zhuan Wang Cristian V. Ciobanu Kai-Ming HoThis 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.
Atomic Switch: From Invention to Practical Use and Future Prospects (Advances in Atom and Single Molecule Machines)
by Masakazu AonoWritten by the inventors and leading experts of this new field, the book results from the International Symposium on “Atomic Switch: Invention, Practical use and Future Prospects” which took place in Tsukuba, Japan on March 27th - 28th, 2017. The book chapters cover the different trends from the science and technology of atomic switches to their applications like brain-type information processing, artificial intelligence (AI) and completely novel functional electronic nanodevices. The current practical uses of the atomic switch are also described. As compared with the conventional semiconductor transistor switch, the atomic switch is more compact (~1/10) with much lower power consumption (~1/10) and scarcely influenced by strong electromagnetic noise and radiation including cosmic rays in space (~1/100). As such, this book is of interest to researchers, scholars and students willing to explore new materials, to refine the nanofabrication methods and to explore new and efficient device architectures.
Atomic Testing in Mississippi: Project Dribble and the Quest for Nuclear Weapons Treaty Verification in the Cold War Era
by David Allen BurkeIn Atomic Testing in Mississippi, David Allen Burke illuminates the nearly forgotten history of America's only nuclear detonations east of the Mississippi River. The atomic tests, conducted in the mid-1960s nearly 3,000 feet below ground in Mississippi's Tatum Salt Dome, posed a potential risk for those living within 150 miles of the site, which included residents of Hattiesburg, Jackson, Gulfport, Biloxi, Mobile, and New Orleans. While the detonations provided the United States with verification methods that helped limit the world's nuclear arsenals, they sparked widespread public concern.In 1964 and 1966 the Atomic Energy Commission conducted experiments at the salt dome—code-named Dribble—surrounded by a greater population density than any other test site in the United States. Although the detonations were not weapons tests, they fostered a conflict between regional politicians interested in government-funded science projects and a population leery of nuclear testing near their homes. Even today, residents near the salt dome are still fearful of long-term negative health consequences.Despite its controversy, Project Dribble provided the technology needed to detect and assess the performance of distant underground atomic explosions and thus verify international weapons treaty compliance. This technology led to advanced seismological systems that now provide tsunami warnings and detect atomic activity in other nuclear nations, such as Pakistan and North Korea.
Atomic Theories (Routledge Library Editions: 20th Century Science)
by F.H. LoringSummarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr’s work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and speculative theory, it indicates in a unique way how the future of physics was perceived at the time of writing. It thus throws into stark relief not only the immense advances made since the 1920s, but also, perhaps, highlights the importance of not rigidly adhering to a particular program of future discoveries.
Atomic Thunder: British Nuclear Testing in Australia
by Elizabeth TynanAn in-depth account of Great Britain&’s atomic testing efforts in South Australia in the 1950s and &’60s, and its effects. British nuclear testing took place at Maralinga, South Australia, between 1956 and 1963, after Australian Prime Minister Robert Menzies had handed over 3,200 square kilometres of open desert to the British Government, without informing his own people. The atomic weapons test series wreaked havoc on Indigenous communities and turned the land into a radioactive wasteland. How did it come to pass that a democracy such as Australia suddenly found itself hosting another country&’s nuclear program? And why has it continued to be shrouded in mystery, even decades after the atomic thunder clouds stopped rolling across the South Australian test site? In this meticulously researched and shocking work, journalist and academic Elizabeth Tynan reveals the truth of what really happened at Maralinga and the devastating consequences of what took place there, not to mention the mess that was left behind.Praise for Atomic Thunder &“Compulsive reading? Make that compulsory. This is a brilliant book.&” —Philip Adams
Atomic Tunes: The Cold War in American and British Popular Music
by Tim Smolko Joanna SmolkoWhat is the soundtrack for a nuclear war? During the Cold War, over 500 songs were written about nuclear weapons, fear of the Soviet Union, civil defense, bomb shelters, McCarthyism, uranium mining, the space race, espionage, the Berlin Wall, and glasnost. This music uncovers aspects of these world-changing events that documentaries and history books cannot. In Atomic Tunes, Tim and Joanna Smolko explore everything from the serious to the comical, the morbid to the crude, showing the widespread concern among musicians coping with the effect of communism on American society and the threat of a nuclear conflict of global proportions. Atomic Tunes presents a musical history of the Cold War, analyzing the songs that capture the fear of those who lived under the shadow of Stalin, Sputnik, mushroom clouds, and missiles.
Atomic Weapons in Land Combat
by Colonel G. C. Reinhardt Lieutenant-Colonel W. R. KintnerHow the atomic bomb could be developed as a deterrent to aggressors.“Let’s face it. Sooner or later someone would have to write a book on the battlefield employment of atomic weapons. Hiroshima upset the world’s military applecart. Professional soldiers returned from World War II or from Korea dare not rest on their laurels. The next war, if it comes, is going to be different—made so by the biggest “X” factor ever introduced into military calculations, the atomic bomb.Like the mythical god Janus, atomic power has many faces. The first one displayed was popularized “The Absolute Weapon.” Atomic bombs unlimited, so we were told, either made war unthinkable or provided cheap and foolproof security to their sole owner. Disturbingly, these and other popular thoughts concerning the atomic bomb didn’t ring true with the co-authors of this book.A series of Army assignments gave each of them opportunities to examine and study the many aspects of the atomic military problem. At the Industrial College and Georgetown University Graduate School, we pondered separately. Simultaneous assignment to The Department of Analysis and Research at the Army’s Command and Staff College brought us together. The problem we saw, as soldiers and students of war, was not whether the atomic bomb would destroy civilization, but rather how this weapon could be developed as a deterrent to aggressors, as a potent aid to a United States’ victory should war be forced upon us.” – From the Author’s Introduction
Atomic Women: The Untold Stories of the Scientists Who Helped Create the Nuclear Bomb
by Roseanne MontilloBomb meets Code Girls in this nonfiction narrative about the little-known female scientists who were critical to the invention of the atomic bomb during World War II.They were leaning over the edge of the unknown and afraid of what they would discover there: Meet the World War II female scientists who worked in the secret sites of the Manhattan Project. Recruited not only from labs and universities from across the United States but also from countries abroad, these scientists helped in -- and often initiated -- the development of the atomic bomb, taking starring roles in the Manhattan Project. In fact, their involvement was critical to its success, though many of them were not fully aware of the consequences.The atomic women include:Lise Meitner and Irène Joliot-Curie (daughter of Marie Curie), who led the groundwork for the Manhattan Project from Europe;Elizabeth Rona, the foremost expert in plutonium, who gave rise to the "Fat Man" and "Little Boy," the bombs dropped over Japan;Leona Woods, Elizabeth Graves, and Joan Hinton, who were inspired by European scientific ideals but carved their own paths.This book explores not just the critical steps toward the creation of a successful nuclear bomb, but also the moral implications of such an invention. p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 13.0px Times}
Atomically Dispersed Metallic Materials for Electrochemical Energy Technologies (Electrochemical Energy Storage and Conversion)
by Xifei Li Shuhui Sun Xueliang Sun Jiujun Zhang Wei YanAtomically dispersed metallic materials (ADMMs) are the most advanced materials used in energy conversion and storage devices to improve their performance for portable electronics, electric vehicles, and stationary power stations. Atomically Dispersed Metallic Materials for Electrochemical Energy Technologies aims to facilitate research and development of ADMMs for applications in electrochemical energy devices. It provides a comprehensive description of the science and technology of ADMMs, including material selection, synthesis, characterization, and their applications in fuel cells, batteries, supercapacitors, and H2O/CO2/N2 electrolysis to encourage progress in commercialization of these clean energy technologies. Offers a comprehensive introduction to various types of ADMMs, their fabrication and characterization, and how to improve their performance Analyzes, compares, and discusses advances in different ADMMs in the application of electrochemical energy devices, including commercial requirements Describes cutting-edge methodologies in composite ADMM design, selection, and fabrication Summarizes current achievements, challenges, and future research directions Written by authors with strong academic and industry expertise, this book will be attractive to researchers and industry professionals working in the fields of materials, chemical, mechanical, and electrical engineering, as well as nanotechnology and clean energy.
Atomically Precise Electrocatalysts for Electrochemical Energy Applications
by Anuj Kumar Ram K. GuptaThis book offers a comprehensive overview of atomically precise electrocatalysts, including single-atom, dual-atom, and multi-atom catalysts, which are considered to be superior electrode materials for fuel cells and water electrolyzers. By presenting a systematic examination of these materials in ascending order of metal atom number, the book provides a deep understanding of their synthesis processes, energy applications, and potential for improving their performance. Unlike any contemporary book on the topic, this book explores the reaction mechanisms and structure-performance relationships in catalytic processes at atomic level. Essentially, by driving the development of fuel cells and water electrocatalyzers, this book helps meet the world's growing energy demands. With its cutting-edge insights, this book is an indispensable resource for researchers, engineers, and students working in the field of renewable energy.
Atomically Precise Metal Clusters: Surface Engineering and Hierarchical Assembly
by Shuang-Quan ZangAtomically Precise Metal Clusters Thorough discussion on how surface modification and self-assembly play roles in the atomically precise formation and property tailoring of molecular clusters Atomically Precise Metal Clusters: Surface Engineering and Hierarchical Assembly summarizes and discusses the surface modification, assembly, and property tailoring of a wide variety of nanoclusters, including the well-explored metal clusters, addressing the structure–property relationships throughout. The atomic-level control in synthesis, new types of structures, and physical/chemical properties of nanoclusters are illustrated in various chapters. The controlled modification and assembly of metal nanoclusters is expected to have a major impact on future nanoscience research and other areas, with distinctive metal cluster-based function materials with precise structures uncovering exciting opportunities in both fundamental research and practical applications. Written by a highly qualified academic with significant research experience in the field, Atomically Precise Metal Clusters includes information on: Ligand engineering and assembly of coinage metal nanoclusters such as gold, silver, and copperRecent advances in post-modification of polyoxometalates and small transition metal chalcogenide superatom clustersSynthesis and assembly of cadmium chalcogenide supertetrahedral clusters and modification and assembly of Fe-S clustersIndium phosphide magic-sized clusters, ligand-tailoring platinum and palladium clusters, and metal oxo clusters (MOCs)Enabling access to desired functions in metal clusters for catalysis, optics, biomedicine, and other fields through surface engineering and supramolecular assembly A timely and comprehensive book that summarizes the recent progress in the surface modification and self-assembly of metal nanoclusters, Atomically Precise Metal Clusters provides essential guidance for graduate students and advanced researchers in material science, chemistry, biomedicine, and other disciplines.
Atomically Precise Nanochemistry
by Rongchao Jin De-En JiangAtomically Precise Nanochemistry Explore recent progress and developments in atomically precise nanochemistry Chemists have long been motivated to create atomically precise nanoclusters, not only for addressing some fundamental issues that were not possible to tackle with imprecise nanoparticles, but also to provide new opportunities for applications such as catalysis, optics, and biomedicine. In Atomically Precise Nanochemistry, a team of distinguished researchers delivers a state-of-the-art reference for researchers and industry professionals working in the fields of nanoscience and cluster science, in disciplines ranging from chemistry to physics, biology, materials science, and engineering. A variety of different nanoclusters are covered, including metal nanoclusters, semiconductor nanoclusters, metal-oxo systems, large-sized organometallic nano-architectures, carbon clusters, and supramolecular architectures. The book contains not only experimental contributions, but also theoretical insights into the atomic and electronic structures, as well as the catalytic mechanisms. The authors explore synthesis, structure, geometry, bonding, and applications of each type of nanocluster. Perfect for researchers working in nanoscience, nanotechnology, and materials chemistry, Atomically Precise Nanochemistry will also benefit industry professionals in these sectors seeking a practical and up-to-date resource.
Atomicity through Fractal Measure Theory: Mathematical and Physical Fundamentals with Applications
by Alina Gavriluţ Ioan Mercheş Maricel AgopThis book presents an exhaustive study of atomicity from a mathematics perspective in the framework of multi-valued non-additive measure theory. Applications to quantum physics and, more generally, to the fractal theory of the motion, are highlighted. The study details the atomicity problem through key concepts, such as the atom/pseudoatom, atomic/nonatomic measures, and different types of non-additive set-valued multifunctions. Additionally, applications of these concepts are brought to light in the study of the dynamics of complex systems.The first chapter prepares the basics for the next chapters. In the last chapter, applications of atomicity in quantum physics are developed and new concepts, such as the fractal atom are introduced. The mathematical perspective is presented first and the discussion moves on to connect measure theory and quantum physics through quantum measure theory. New avenues of research, such as fractal/multifractal measure theory with potential applications in life sciences, are opened.
Atomistic and Continuum Modeling of Nanocrystalline Materials: Deformation Mechanisms and Scale Transition (Springer Series in Materials Science #112)
by Laurent CapolungoAtomistic and Continuum Modeling of Nanocrystalline Materials develops a complete and rigorous state-of-the-art analysis of the modeling of the mechanical behavior of nanocrystalline (NC) materials. Among other key topics, the material focuses on the novel techniques used to predict the behavior of nanocrystalline materials. Particular attention is given to recent theoretical and computational frameworks combining atomistic and continuum approaches. Also, the most relevant deformation mechanisms governing the response of nanocrystalline materials are addressed and discussed in correlation with available experimental data.
Atomistic Computer Simulations: A Practical Guide
by Veronika Brazdova David R. BowlerMany books explain the theory of atomistic computer simulations; this book teaches you how to run themThis introductory "how to" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications.This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies.The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.
The Atomistic Congress: Interpretation of Congressional Change
by Allen D. Hertzke Ronald M. PetersFirst Published in 1993. Routledge is an imprint of Taylor & Francis, an Informa company.
Atomistic Intuitions: An Essay on Classification (SUNY series in Contemporary French Thought)
by Gaston BachelardFrench philosopher Gaston Bachelard (1884–1962) is best known in the English-speaking world for his work on poetics and the literary imagination, but much of his oeuvre is devoted to epistemology and the philosophy of science. Like Thomas Kuhn, whose work he anticipates by three decades, Bachelard examines the revolution taking place in scientific thought, but with particular attention to the philosophical implications of scientific practice. Atomistic Intuitions, published in 1933, considers past atomistic doctrines as a context for proposing a metaphysics for the scientific revolutions of the twentieth century. As his subtitle indicates, in this book Bachelard proposes a classification of atomistic intuitions as they are transformed over the course of history. More than a mere taxonomy, this exploration of atomistic doctrines since antiquity proves to be keenly pedagogical, leading to an enriched philosophical appreciation of modern subatomic physics and chemistry as sciences of axioms. Though focused on philosophy of science, the perspectives and intuitions Bachelard garnered through this work provide a unique and even essential key to understanding his extensive writings on the imagination. Roch C. Smith's translation and explanatory notes will help to make this aspect of Bachelard's thought accessible to a wider readership, particularly in such fields as aesthetics, literature, and history.
Atomistic Simulations of Glasses: Fundamentals and Applications
by Jincheng Du Alastair N. CormackA complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. The book offers concise discussions of classical, first principles, Monte Carlo, and other simulation methods, together with structural analysis techniques and property calculation methods for the models of glass generated from these atomistic simulations, before moving on to practical examples of the application of atomistic simulations in the research of several glass systems. The authors describe simulations of silica, silicate, aluminosilicate, borosilicate, phosphate, halide and oxyhalide glasses with up-to-date information and explore the challenges faced by researchers when dealing with these systems. Both classical and ab initio methods are examined and comparison with experimental structural and property data provided. Simulations of glass surfaces and surface-water reactions are also covered. Atomistic Simulations of Glasses includes multiple case studies and addresses a variety of applications of simulation, from elucidating the structure and properties of glasses for optical, electronic, architecture applications to high technology fields such as flat panel displays, nuclear waste disposal, and biomedicine. The book also includes: A thorough introduction to the fundamentals of atomistic simulations, including classical, ab initio, Reverse Monte Carlo simulation and topological constraint theory methods Important ingredients for simulations such as interatomic potential development, structural analysis methods, and property calculations are covered Comprehensive explorations of the applications of atomistic simulations in glass research, including the history of atomistic simulations of glasses Practical discussions of rare earth and transition metal-containing glasses, as well as halide and oxyhalide glasses In-depth examinations of glass surfaces and silicate glass-water interactions Perfect for glass, ceramic, and materials scientists and engineers, as well as physical, inorganic, and computational chemists, Atomistic Simulations of Glasses: Fundamentals and Applications is also an ideal resource for condensed matter and solid-state physicists, mechanical and civil engineers, and those working with bioactive glasses. Graduate students, postdocs, senior undergraduate students, and others who intend to enter the field of simulations of glasses would also find the book highly valuable.