Graphene, a conceptually new class of materials in condensed-matter physics, has been the interest of many theoretical studies due to the extraordinary thermal, mechanical and electrical properties for a long time. This book is a collection of the recent theoretical work on graphene from many experts, and will help readers to have a thorough and deep understanding in this fast developing field.
Presents technologies and key concepts to produce suitable smart materials and intelligent structures for sensing, information and communication technology, biomedical applications (drug delivery, hyperthermia therapy), self-healing, flexible memories and construction technologies. Novel developments of environmental friendly, cost-effective and scalable production processes are discussed by experts in the field.
Tremendous innovations in electronics and photonics over the past few decades have resulted in the downsizing of transistors in integrated circuits, which are now approaching atomic scales. This will soon result in the creation of a growing knowledge gap between the underlying technology and state-of-the-art electronic device modeling and simulations. This book bridges the gap by presenting cutting-edge research in the computational analysis and mathematical modeling of graphene nanostructures as well as the recent progress on graphene transistors for nanoscale circuits. It inspires and educates fellow circuit designers and students in the field of emerging low-power and high-performance circuit designs based on graphene. While most of the books focus on the synthesis, fabrication, and characterization of graphene, this book shines a light on graphene models and their circuit simulations and applications in photonics. It will serve as a textbook for graduate-level courses in nanoscale electronics and photonics design and appeal to anyone involved in electrical engineering, applied physics, materials science, or nanotechnology research.
This Special Issue gathers research from different branches of science and engineering disciplines working on experiments and modelling of nanocomposites into one volume. The Guest Editor welcomes papers dedicated to experimental, computational, and theoretical aspects dealing with many important state-of-the-art technologies and methodologies regarding the synthesis, fabrication, characterization, properties, design, and applications, and both finite element analysis and molecular dynamic simulations, of nanocomposite materials and structures. Full papers covering novel topics, extending the frontiers of the science and technology of nanoreinforced composites are encouraged. Reviews covering topics of major interest will be also considered.
Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
This book gathers the latest advances, innovations, and applications in the field of computational engineering, as presented by leading international researchers and engineers at the 26th International Conference on Computational & Experimental Engineering and Sciences (ICCES), held in Phuket, Thailand on January 6-10, 2021. ICCES covers all aspects of applied sciences and engineering: theoretical, analytical, computational, and experimental studies and solutions of problems in the physical, chemical, biological, mechanical, electrical, and mathematical sciences. As such, the book discusses highly diverse topics, including composites; bioengineering & biomechanics; geotechnical engineering; offshore & arctic engineering; multi-scale & multi-physics fluid engineering; structural integrity & longevity; materials design & simulation; and computer modeling methods in engineering. The contributions, which were selected by means of a rigorous international peer-review process, highlight numerous exciting ideas that will spur novel research directions and foster multidisciplinary collaborations.
This book gathers the latest advances, innovations, and applications in the field of computational engineering, as presented by leading international researchers and engineers at the 29th International Conference on Computational & Experimental Engineering and Sciences (ICCES), held in Shenzhen, China on May 26-29, 2023. ICCES covers all aspects of applied sciences and engineering: theoretical, analytical, computational, and experimental studies and solutions of problems in the physical, chemical, biological, mechanical, electrical, and mathematical sciences. As such, the book discusses highly diverse topics, including composites; bioengineering & biomechanics; geotechnical engineering; offshore & arctic engineering; multi-scale & multi-physics fluid engineering; structural integrity & longevity; materials design & simulation; and computer modeling methods in engineering. The contributions, which were selected by means of a rigorous international peer-review process, highlight numerous exciting ideas that will spur novel research directions and foster multidisciplinary collaborations.
Applied mathematics, together with modeling and computer simulation, is central to engineering and computer science and remains intrinsically important in all aspects of modern technology. This book presents the proceedings of AMMCS 2022, the 2nd International Conference on Applied Mathematics, Modeling and Computer Simulation, held in Wuhan, China, on 13 and 14 August 2022, with online presentations available for those not able to attend in person due to continuing pandemic restrictions. The conference served as an open forum for the sharing and spreading of the newest ideas and latest research findings among all those involved in any aspect of applied mathematics, modeling and computer simulation, and offered an ideal platform for bringing together researchers, practitioners, scholars, professors and engineers from all around the world to exchange the newest research results and stimulate scientific innovation. More than 150 participants were able to exchange knowledge and discuss the latest developments at the conference. The book contains 127 peer-reviewed papers, selected from more than 200 submissions and ranging from the theoretical and conceptual to the strongly pragmatic; all addressing industrial best practice. Topics covered included mathematical modeling and application, engineering applications and scientific computations, and simulation of intelligent systems. The book shares practical experiences and enlightening ideas and will be of interest to researchers and practitioners in applied mathematics, modeling and computer simulation everywhere.
Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and governing physical phenomena necessary to simulate and understand a wide-range of structural materials at multiple time and length scales. The book offers practical guidelines for modeling common structural materials with well-established techniques, outlining detailed modeling approaches for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, thin films, and more.Computational approaches based on artificial intelligence and machine learning methods as complementary tools to the physics-based multiscale techniques are discussed as are modeling techniques for additively manufactured structural materials. Special attention is paid to how these methods can be used to develop the next generation of sustainable, resilient and environmentally-friendly structural materials, with a specific emphasis on bridging the atomistic and continuum modeling scales for these materials. - Synthesizes the latest cutting-edge computational multiscale modeling techniques for an array of structural materials - Emphasizes the foundations of the field and offers practical guidelines for modeling material systems with well-established techniques - Covers methods for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, and more - Highlights underlying theory, emerging areas, future directions and various applications of the modeling methods covered - Discusses the integration of multiscale modeling and artificial intelligence
The development, storage and comprehensive utilization of energy is an important subject concerned by scientists all over the world. Carbon capture and storage technology is one of the most effective mitigation technologies for global climate change, accurate understanding of the migration of multiphase fluids in reservoirs is crucial for reservoir stock evaluation and safety evaluation. Understanding Carbon Geologic Sequestration and Gas Hydrate from Molecular Simulation systematically introduces CO2 geological sequestration and gas hydrate at the molecular-scale, with research including interfacial properties of multiphase, multicomponent systems, hydrogen bonding properties, adsorption characteristics of CO2 / CH4 in the pore, kinetic properties of decomposition/nucleation/growth of gas hydrate, the influence of additives on gas hydrate growth dynamics, and hydrate prevention and control technology. This book focuses on research-based achievements and provides a comprehensive look at global progress in the field. Because there are limited resources available on carbon geologic sequestration technology and gas hydrate technology at the molecular level, the authors wrote this book to fill a gap in scientific literature and prompt further research. - Distills learnings for fundamental and advanced knowledge of molecular simulation in carbon dioxide and gas hydrate storage - Synthesizes knowledge about the development status of CGS technology and hydrate technology in the molecular field – tackling these technologies from a microscopic perspective - Analyzes scientific problems related to CGS technology and hydrate technology based on molecular simulation methods - Explores challenges relative to carbon dioxide and hydrate storage - Provides hierarchical analysis combined with the authors' own research-based case studies for enhanced comprehension and application
