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Multiscale Theoretical And Computational Modeling Of The Synthesis Structure And Performance Of Functional Carbon Materials
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Book Synopsis Multiscale Theoretical and Computational Modeling of the Synthesis, Structure and Performance of Functional Carbon Materials by : Samir Hemant Mushrif
Download or read book Multiscale Theoretical and Computational Modeling of the Synthesis, Structure and Performance of Functional Carbon Materials written by Samir Hemant Mushrif and published by . This book was released on 2009 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computer-Based Modeling of Novel Carbon Systems and Their Properties by : Luciano Colombo
Download or read book Computer-Based Modeling of Novel Carbon Systems and Their Properties written by Luciano Colombo and published by Springer Science & Business Media. This book was released on 2010-08-05 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is needed to make significant progress in the carbon field. This volume provides the reader with a survey of state-of-the-art theoretical and computational contributions featuring novel carbon systems (excluding nanotubes). The chapters are authored by leading researchers who are all actively involved with different aspects of carbon structure and property elucidation. Consequently, a variety of methods are presented to the reader. The editors have successfully compiled an informative book that: • Showcases the latest results in carbon materials • Demonstrates how different theoretical methods are combined • Explains how new carbon structures are predicted Computer-Based Modeling of Novel Carbon Systems and Their Properties is aimed at advanced undergraduates, graduates, and researchers with an interest in computational nanomaterials.
Book Synopsis Computational Multiscale Modeling of Multiphase Nanosystems by : Alexander V. Vakhrushev
Download or read book Computational Multiscale Modeling of Multiphase Nanosystems written by Alexander V. Vakhrushev and published by CRC Press. This book was released on 2017-10-10 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.
Book Synopsis Uncertainty Quantification in Multiscale Materials Modeling by : Yan Wang
Download or read book Uncertainty Quantification in Multiscale Materials Modeling written by Yan Wang and published by Woodhead Publishing Limited. This book was released on 2020-03-12 with total page 604 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.
Book Synopsis Beyond the Molecular Frontier by : National Research Council
Download or read book Beyond the Molecular Frontier written by National Research Council and published by National Academies Press. This book was released on 2003-03-19 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.
Book Synopsis New Frontiers in Multiscale Modelling of Advanced Materials by : Simone Taioli
Download or read book New Frontiers in Multiscale Modelling of Advanced Materials written by Simone Taioli and published by Frontiers Media SA. This book was released on 2016-01-22 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.
Book Synopsis Multiscale Materials Modeling by : Siegfried Schmauder
Download or read book Multiscale Materials Modeling written by Siegfried Schmauder and published by . This book was released on 2016 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Practical Aspects of Computational Chemistry by : Jerzy Leszczynski
Download or read book Practical Aspects of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2009-10-03 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
Author :National Academies of Sciences, Engineering, and Medicine Publisher :National Academies Press ISBN 13 :0309454395 Total Pages :235 pages Book Rating :4.3/5 (94 download)
Book Synopsis 2015-2016 Assessment of the Army Research Laboratory by : National Academies of Sciences, Engineering, and Medicine
Download or read book 2015-2016 Assessment of the Army Research Laboratory written by National Academies of Sciences, Engineering, and Medicine and published by National Academies Press. This book was released on 2017-03-31 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The National Academies of Sciences, Engineering, and Medicine's Army Research Laboratory Technical Assessment Board (ARLTAB) provides biennial assessments of the scientific and technical quality of the research, development, and analysis programs at the Army Research Laboratory (ARL), focusing on ballistics sciences, human sciences, information sciences, materials sciences, and mechanical sciences. This biennial report summarizes the findings of the ARLTAB from the reviews conducted by the panels in 2015 and 2016 and subsumes the 2015-2016 interim report.
Book Synopsis Carbon Nanotube-Reinforced Polymers by : Roham Rafiee
Download or read book Carbon Nanotube-Reinforced Polymers written by Roham Rafiee and published by Elsevier. This book was released on 2017-10-06 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon Nanotube-Reinforced Polymers: From Nanoscale to Macroscale addresses the advances in nanotechnology that have led to the development of a new class of composite materials known as CNT-reinforced polymers. The low density and high aspect ratio, together with their exceptional mechanical, electrical and thermal properties, render carbon nanotubes as a good reinforcing agent for composites. In addition, these simulation and modeling techniques play a significant role in characterizing their properties and understanding their mechanical behavior, and are thus discussed and demonstrated in this comprehensive book that presents the state-of-the-art research in the field of modeling, characterization and processing. The book separates the theoretical studies on the mechanical properties of CNTs and their composites into atomistic modeling and continuum mechanics-based approaches, including both analytical and numerical ones, along with multi-scale modeling techniques. Different efforts have been done in this field to address the mechanical behavior of isolated CNTs and their composites by numerous researchers, signaling that this area of study is ongoing. Explains modeling approaches to carbon nanotubes, together with their application, strengths and limitations Outlines the properties of different carbon nanotube-based composites, exploring how they are used in the mechanical and structural components Analyzes the behavior of carbon nanotube-based composites in different conditions
Book Synopsis Bioinspired Structures and Design by : Wole Soboyejo
Download or read book Bioinspired Structures and Design written by Wole Soboyejo and published by Cambridge University Press. This book was released on 2020-09-17 with total page 374 pages. Available in PDF, EPUB and Kindle. Book excerpt: Master simple to advanced biomaterials and structures with this essential text. Featuring topics ranging from bionanoengineered materials to bio-inspired structures for spacecraft and bio-inspired robots, and covering issues such as motility, sensing, control and morphology, this highly illustrated text walks the reader through key scientific and practical engineering principles, discussing properties, applications and design. Presenting case studies for the design of materials and structures at the nano, micro, meso and macro-scales, and written by some of the leading experts on the subject, this is the ideal introduction to this emerging field for students in engineering and science as well as researchers.
Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran
Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-05-20 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Book Synopsis Natural Gas Processing from Midstream to Downstream by : Nimir O. Elbashir
Download or read book Natural Gas Processing from Midstream to Downstream written by Nimir O. Elbashir and published by John Wiley & Sons. This book was released on 2018-11-26 with total page 584 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive review of the current status and challenges for natural gas and shale gas production, treatment and monetization technologies Natural Gas Processing from Midstream to Downstream presents an international perspective on the production and monetization of shale gas and natural gas. The authors review techno-economic assessments of the midstream and downstream natural gas processing technologies. Comprehensive in scope, the text offers insight into the current status and the challenges facing the advancement of the midstream natural gas treatments. Treatments covered include gas sweeting processes, sulfur recovery units, gas dehydration and natural gas pipeline transportation. The authors highlight the downstream processes including physical treatment and chemical conversion of both direct and indirect conversion. The book also contains an important overview of natural gas monetization processes and the potential for shale gas to play a role in the future of the energy market, specifically for the production of ultra-clean fuels and value-added chemicals. This vital resource: Provides fundamental chemical engineering aspects of natural gas technologies Covers topics related to upstream, midstream and downstream natural gas treatment and processing Contains well-integrated coverage of several technologies and processes for treatment and production of natural gas Highlights the economic factors and risks facing the monetization technologies Discusses supply chain, environmental and safety issues associated with the emerging shale gas industry Identifies future trends in educational and research opportunities, directions and emerging opportunities in natural gas monetization Includes contributions from leading researchers in academia and industry Written for Industrial scientists, academic researchers and government agencies working on developing and sustaining state-of-the-art technologies in gas and fuels production and processing, Natural Gas Processing from Midstream to Downstream provides a broad overview of the current status and challenges for natural gas production, treatment and monetization technologies.
Book Synopsis Modeling Materials by : Ellad B. Tadmor
Download or read book Modeling Materials written by Ellad B. Tadmor and published by Cambridge University Press. This book was released on 2011-11-24 with total page 789 pages. Available in PDF, EPUB and Kindle. Book excerpt: Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding. Materials researchers must therefore understand fundamental concepts and techniques from different fields, and these are presented in a comprehensive and integrated fashion for the first time in this book. Incorporating continuum mechanics, quantum mechanics, statistical mechanics, atomistic simulations and multiscale techniques, the book explains many of the key theoretical ideas behind multiscale modeling. Classical topics are blended with new techniques to demonstrate the connections between different fields and highlight current research trends. Example applications drawn from modern research on the thermo-mechanical properties of crystalline solids are used as a unifying focus throughout the text. Together with its companion book, Continuum Mechanics and Thermodynamics (Cambridge University Press, 2011), this work presents the complete fundamentals of materials modeling for graduate students and researchers in physics, materials science, chemistry and engineering.
Book Synopsis Finite Element Analysis of Composite Materials using AbaqusTM by : Ever J. Barbero
Download or read book Finite Element Analysis of Composite Materials using AbaqusTM written by Ever J. Barbero and published by CRC Press. This book was released on 2013-04-18 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Developed from the author's graduate-level course on advanced mechanics of composite materials, Finite Element Analysis of Composite Materials with Abaqus shows how powerful finite element tools address practical problems in the structural analysis of composites. Unlike other texts, this one takes the theory to a hands-on level by actually solving
Download or read book Chemical Engineering Progress written by and published by . This book was released on 2007 with total page 984 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Electronic Structure by : Richard M. Martin
Download or read book Electronic Structure written by Richard M. Martin and published by Cambridge University Press. This book was released on 2004-04-08 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important graduate textbook in condensed matter physics by highly regarded physicist.
