Multiscale And Multiphysics Computational Frameworks For Nano And Bio Systems
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Multiscale and Multiphysics Computational Frameworks for Nano- and Bio-Systems by Hyungjun Kim Pdf
This volume develops multiscale and multiphysics simulation methods to understand nano- and bio-systems by overcoming the limitations of time- and length-scales. Here the key issue is to extend current computational simulation methods to be useful for providing microscopic understanding of complex experimental systems. This thesis discusses the multiscale simulation approaches in nanoscale metal-insulator-metal junction, molecular memory, ionic transport in zeolite systems, dynamics of biomolecules such as lipids, and model lung system. Based on the cases discussed here, the author suggests various systematic strategies to overcome the limitations in time- and length-scales of the traditional monoscale approaches.
Multicomponent and Multiscale Systems by Juergen Geiser Pdf
This book examines the latest research results from combined multi-component and multi-scale explorations. It provides theory, considers underlying numerical methods and presents brilliant computational experimentation. Engineering computations featured in this monograph further offer particular interest to many researchers, engineers and computational scientists working in frontier modeling and applications of multicomponent and multiscale problems. Professor Geiser gives specific attention to the aspects of decomposing and splitting delicate structures and controlling decomposition and the rationale behind many important applications of multi-component and multi-scale analysis. Multicomponent and Multiscale Systems: Theory, Methods and Applications in Engineering also considers the question of why iterative methods can be powerful and more appropriate for well-balanced multiscale and multicomponent coupled nonlinear problems. The book is ideal for engineers and scientists working in theoretical and applied areas.
Theory, Models, and Applications in Engineering explains how to solve complicated coupled models in engineering using analytical and numerical methods. It presents splitting multiscale methods to solve multiscale and multi-physics problems and describes analytical and numerical methods in time and space for evolution equations arising in engineering problems. The book discusses the effectiveness, simplicity, stability, and consistency of the methods in solving problems that occur in real-life engineering tasks. It shows how MATLAB (R) and Simulink (R) are used to implement the methods. The author also covers the coupling of separate, multiple, and logical scales in applications, including microscale, macroscale, multiscale, and multi-physics problems. Covering mathematical, algorithmic, and practical aspects, this book brings together innovative ideas in coupled systems and extends standard engineering tools to coupled models in materials and flow problems with respect to their scale dependencies and their influence on each time and spatial scale
Author : Dennis R. Salahub,Dongqing Wei Publisher : Royal Society of Chemistry Page : 411 pages File Size : 52,9 Mb Release : 2021-09-24 Category : Science ISBN : 9781839164675
Multiscale Dynamics Simulations by Dennis R. Salahub,Dongqing Wei Pdf
Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.
Computational Science - Iccs 2005 by V.S. Sunderam,G. Dick van Albada,Peter M.A. Sloot,Jack Dongarra Pdf
The three-volume set LNCS 3514-3516 constitutes the refereed proceedings of the 5th International Conference on Computational Science, ICCS 2005, held in Atlanta, GA, USA in May 2005.The 464 papers presented were carefully reviewed and selected from a total of 834 submissions for the main conference and its 21 topical workshops. The papers span the whole range of computational science, ranging from numerical methods, algorithms, and computational kernels to programming environments, grids, networking, and tools. These fundamental contributions dealing with computer science methodologies and techniques are complemented by papers discussing computational applications and needs in virtually all scientific disciplines applying advanced computational methods and tools to achieve new discoveries with greater accuracy and speed.
Design, Modeling and Characterization of Bio-Nanorobotic Systems by Mustapha Hamdi,Antoine Ferreira Pdf
Nanorobots represent a nanoscale device where proteins such as DNA, carbon nanotubes could act as motors, mechanical joints, transmission elements, or sensors. When these different components were assembled together they can form nanorobots with multi-degree-of-freedom, able to apply forces and manipulate objects in the nanoscale world. Design, Modeling and Characterization of Bio-Nanorobotic Systems investigates the design, assembly, simulation, and prototyping of biological and artificial molecular structures with the goal of implementing their internal nanoscale movements within nanorobotic systems in an optimized manner.
Computational Multiscale Modeling of Multiphase Nanosystems by Alexander V. Vakhrushev Pdf
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.
Computational Science - ICCS 2007 by Yong Shi,Geert Dick van Albada,Jack Dongarra,Peter M.A. Sloot Pdf
Part of a four-volume set, this book constitutes the refereed proceedings of the 7th International Conference on Computational Science, ICCS 2007, held in Beijing, China in May 2007. The papers cover a large volume of topics in computational science and related areas, from multiscale physics to wireless networks, and from graph theory to tools for program development.
Nano and Cell Mechanics by Horacio D. Espinosa,Gang Bao Pdf
Research in nano and cell mechanics has received much attention from the scientific community as a result of society needs and government initiatives to accelerate developments in materials, manufacturing, electronics, medicine and healthcare, energy, and the environment. Engineers and scientists are currently engaging in increasingly complex scientific problems that require interdisciplinary approaches. In this regard, studies in this field draw from fundamentals in atomistic scale phenomena, biology, statistical and continuum mechanics, and multiscale modeling and experimentation. As a result, contributions in these areas are spread over a large number of specialized journals, which prompted the Editors to assemble this book. Nano and Cell Mechanics: Fundamentals and Frontiers brings together many of the new developments in the field for the first time, and covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. Key features: • Provides an overview of recent advances in nano and cell mechanics. • Covers experimental, analytical, and computational tools used to investigate biological and nanoscale phenomena. • Covers fundamentals and frontiers in mechanics to accelerate developments in nano- and bio-technologies. • Presents multiscale-multiphysics modeling and experimentation techniques. • Examines applications in materials, manufacturing, electronics, medicine and healthcare. Nano and Cell Mechanics: Fundamentals and Frontiers is written by internationally recognized experts in theoretical and applied mechanics, applied physics, chemistry, and biology. It is an invaluable reference for graduate students of nano- and bio-technologies, researchers in academia and industry who are working in nano and cell mechanics, and practitioners who are interested in learning about the latest analysis tools. The book can also serve as a text for graduate courses in theoretical and applied mechanics, mechanical engineering, materials science, and applied physics.
Computational Fluid Dynamics (CFD) of Chemical Processes by Young-Il Lim Pdf
In this Special Issue, one review paper highlights the necessity of multiscale CFD, coupling micro- and macro-scales, for exchanging information at the interface of the two scales. Four research papers investigate the hydrodynamics, heat transfer, and chemical reactions of various processes using Eulerian CFD modeling. CFD models are attractive for industrial applications. However, substantial efforts in physical modeling and numerical implementation are still required before their widespread implementation.
BioMEMS and Biomedical Nanotechnology by Abraham P. Lee,James Lee Pdf
blends materials, fabrication, and structure issues of developing nanobio devices in a single volume. treats major nanobio application areas such as drug delivery, molecular diagnostics, and imaging. chapters written by the leading researchers in the field.
Author : Wing Kam Liu,Eduard G. Karpov,Harold S. Park Publisher : John Wiley & Sons Page : 334 pages File Size : 49,5 Mb Release : 2006-08-30 Category : Technology & Engineering ISBN : 9780470035214
Nano Mechanics and Materials by Wing Kam Liu,Eduard G. Karpov,Harold S. Park Pdf
Nanotechnology is a progressive research and development topic with large amounts of venture capital and government funding being invested worldwide. Nano mechanics, in particular, is the study and characterization of the mechanical behaviour of individual atoms, systems and structures in response to various types of forces and loading conditions. This text, written by respected researchers in the field, informs researchers and practitioners about the fundamental concepts in nano mechanics and materials, focusing on their modelling via multiple scale methods and techniques. The book systematically covers the theory behind multi-particle and nanoscale systems, introduces multiple scale methods, and finally looks at contemporary applications in nano-structured and bio-inspired materials.
Practical Aspects of Computational Chemistry by Jerzy Leszczynski,Manoj Shukla Pdf
"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.
