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Computer simulation in materials science : interatomic potentials, simulation techniques, and applications
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ISBN: 0792314557 940105570X 9401135460 9780792314554 Year: 1991 Volume: 205 Publisher: Dordrecht,Boston : Kluwer Academic Publishers,

Computational materials science
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ISBN: 0444513000 9786611048716 1281048712 0080529631 9780444513007 9780080529639 Year: 2004 Publisher: Boston ; Amsterdam : Elsevier,

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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

Computer simulation in materials science : nano / meso / macroscopic space & time scales : [NATO advanced study institute on computer simulation in materials science : Île d'Oléron, France, June 6-16, 1995]
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ISBN: 0792339029 9780792339021 Year: 1996 Volume: 308 Publisher: Dordrecht Boston London : Kluwer,

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For decades to come, the limits to computing power will not allow atomistic simulations of macroscopic specimens. Simulations can only be performed on various scales (nano, meso, micro and macro) using the input provided by simulations (or data) on the next smaller scale. The resulting hierarchy has been the focus of many seminars and lectures. Necessarily, special emphasis has been placed on mesoscopic simulations, bridging the gaps between nano (atomic) and micro space and time scales. The contributors to "Computer Simulation in Materials Science" consider both fundamental problems and applications. Papers on the evolution of morphological patterns in phase transformations and plastic deformation, irradiation effects, mass transport and mechanical properties of materials in general highlight what has already been achieved.It is concluded that computer simulations must be based on realistic and efficient models: the fundamental equations controlling the dynamical evolution of microstructures, stochastic field kinetic models, being a case in point. The mesoscopic approach has proved particularly effective in plastic deformation and work hardening. On the mesoscopic scale, the contributions made to the deformation of polycrystals and localized plastic flow show the importance of computing power in ongoing and future research.


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Computational modeling : from chemistry to materials to biology : proceedings of the 25th Solvay conference on chemistry
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ISBN: 9789811228209 9811228205 Year: 2021 Publisher: Singapore : World scientific,


Book
Spatial modeling principles in earth sciences
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ISBN: 9400790716 1402096712 9786612292460 1282292463 1402096720 Year: 2009 Publisher: Dordrecht : Springer,

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A comprehensive presentation of spatial modeling techniques used in the earth sciences, this book also outlines original techniques developed by the author. Data collection in the earth sciences is difficult and expensive. It requires special care to gather accurate geological information. Spatial simulation methodologies in the earth sciences are essential, then, if we want to understand the variability in features such as fracture frequencies, rock quality, and grain size distribution in rock and porous media. This book outlines in a detailed yet accessible way the main spatial modeling techniques, in particular the Kriging methodology. It also presents many unique physical approaches, field cases, and sample interpretations. Since Kriging’s origin in the 1960s it has been developed into a number of new methods such as cumulative SV (CSV), point CSV (PCSV), and spatial dependence function, which have been applied in different aspects of the earth sciences. Each one of these techniques is explained in this book, as well as how they are used to model earth science phenomena such as earthquakes, meteorology, and hydrology. In addition to Kriging and its variants, several alternatives to Kriging methodology are presented and the necessary steps in their applications are clearly explained. Simple spatial variation prediction methodologies are also revised with up-to-date literature, and the ways in which they relate to more advanced spatial modeling methodologies are explained. The book is a valuable resource for students, researchers and professionals of a broad range of disciplines including geology, geography, hydrology, meteorology, environment, image processing, spatial modeling and related topics. Prof. Dr. Zekai Sen is a researcher at the Istanbul Technical University, Turkey. His main interests are renewable energy (especially solar energy), hydrology, water resources, hydrogeology, hydrometeorology, hydraulics, philosophy of science, and science history. He has been appointed by the United Nations as a member of the Intergovernmental Panel on Climate Change (IPCC) for research on the effects of climate change. He published more than 200 papers in about 50 scientific journals, and 3 books: Applied Hydrogeology for Scientists and Engineers (1995, CRC Lewis Publishers), Wadi Hydrology (2008, CRC Lewis Publishers), and Solar Energy Fundamentals and Modeling Techniques: Atmosphere, Environment, Climate Change and Renewable Energy (2008, Springer).


Book
Scientific modeling and simulations
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ISBN: 1402097409 9786612827235 1282827235 1402097417 Year: 2009 Publisher: Berlin : Springer,

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The conceptualization of a problem (modeling) and the computational solution of this problem (simulation), is the foundation of Computational Science. This coupled endeavor is unique in several respects. It allows practically any complex system to be analyzed with predictive capability by invoking the multiscale paradigm—linking unit-process models at lower length (or time) scales where fundamental principles have been established to calculations at the system level. The community of multiscale materials modeling has evolved into a multidisciplinary group with a number of identified problem areas of interest. Sidney Yip and Tomas Diaz De La Rubia, the editors of this volume, have gathered 18 contributions that showcase the conceptual advantages of modeling which, coupled with the unprecedented computing power through simulations, allow scientists to tackle the formibable problems of our society, such as the search for hydrocarbons, understanding the structure of a virus, or the intersection between simulations and real data in extreme environments. Scientific Modeling and Simulations advocates the scientific virtues of modeling and simulation, and also encourages the cross fertilization between communities, exploitations of high-performance computing, and experiment-simulation synergies. The contents of this book were previously published in Scientific Modeling and Simulations, Vol 15, No. 1-3, 2008.

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