Download or read book Multiscale Modeling of Nano scale Phenomena written by D. White and published by . This book was released on 2003 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this white paper, a road map is presented to establish a multiphysics simulation capability for the design and optimization of sensor systems that incorporate nanomaterials and technologies. The Engineering Directorate's solid/fluid mechanics and electromagnetic computer codes will play an important role in both multiscale modeling and integration of required physics issues to achieve a baseline simulation capability. Molecular dynamic simulations performed primarily in the BBRP, CMS and PAT directorates, will provide information for the construction of multiscale models. All of the theoretical developments will require closely coupled experimental work to develop material models and validate simulations. The plan is synergistic and complimentary with the Laboratory's emerging core competency of multiscale modeling. The first application of the multiphysics computer code is the simulation of a ''simple'' biological system (protein recognition utilizing synthesized ligands) that has a broad range of applications including detection of biological threats, presymptomatic detection of illnesses, and drug therapy. While the overall goal is to establish a simulation capability, the near-term work is mainly focused on (1) multiscale modeling, i.e., the development of ''continuum'' representations of nanostructures based on information from molecular dynamics simulations and (2) experiments for model development and validation. A list of LDRDER proposals and ongoing projects that could be coordinated to achieve these near-term objectives and demonstrate the feasibility and utility of a multiphysics simulation capability is given.
Download or read book Multiscale Modeling of Particle Interactions written by Michael King and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.
Download or read book Multiscale Simulation Methods for Nanomaterials written by Richard B. Ross and published by John Wiley & Sons. This book was released on 2008-02-04 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.
Download or read book Multiscale Modeling of Particle Interactions written by Michael King and published by Wiley. This book was released on 2010-03-22 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.
Download or read book Trends in Nanoscale Mechanics written by Vasyl Michael Harik and published by Springer Science & Business Media. This book was released on 2003-11-30 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: An outstanding feature of this book is a collection of state-of-the-art reviews written by leading researchers in the nanomechanics of carbon nanotubes, nanocrystalline materials, biomechanics and polymer nanocomposites. The structure and properties of carbon nanotubes, polycrystalline metals, and coatings are discussed in great details. The book is an exceptional resource on multi-scale modelling of metals, nanocomposites, MEMS materials and biomedical applications. An extensive bibliography concerning all these topics is included. Highlights on bio-materials, MEMS, and the latest multi-scale methods (e.g., molecular dynamics and Monte Carlo) are presented. Numerous illustrations of inter-atomic potentials, nanotube deformation and fracture, grain rotation and growth in solids, ceramic coating structures, blood flows and cell adhesion are discussed. This book provides a comprehensive review of latest developments in the analysis of mechanical phenomena in nanotechnology and bio-nanotechnology.
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.
Download or read book Nano and Cell Mechanics written by Horacio D. Espinosa and published by John Wiley & Sons. This book was released on 2012-12-12 with total page 519 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Multiscale Methods written by Jacob Fish and published by Oxford University Press. This book was released on 2010 with total page 631 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.
Download or read book Multiscale Modeling written by Pedro Derosa and published by CRC Press. This book was released on 2010-12-09 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the relevant features and properties of nanosystems necessarily depend on nanoscopic details, their performance resides in the macroscopic world. To rationally develop and accurately predict performance of these systems we must tackle problems where multiple length and time scales are coupled. Rather than forcing a single modeling approach to
Download or read book Multiscale Modeling of Heterogenous Materials written by Oana Cazacu and published by John Wiley & Sons. This book was released on 2013-03-01 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: A material's various proprieties is based on its microscopic and nanoscale structures. This book provides an overview of recent advances in computational methods for linking phenomena in systems that span large ranges of time and spatial scales. Particular attention is given to predicting macroscopic properties based on subscale behaviors. Given the book’s extensive coverage of multi-scale methods for modeling both metallic and geologic materials, it will be an invaluable reading for graduate students, scientists, and practitioners alike.
Download or read book Multiscale Simulation and Design written by and published by Academic Press. This book was released on 2011-06-27 with total page 249 pages. Available in PDF, EPUB and Kindle. Book excerpt: Due to the increasing importance of multi-scale computation in engineering, stimulated by the dramatic development of computer technology and understanding of multi-scale structures, an issue on multi-scale simulation and design--or so-called virtual process engineering--is now edited. ACE published an issue with title of multi-scale analysis in 2005 (vol 35). The intention of the present volume is different, trying to elucidate the bottlenecks and to identify the correct directions for the coming years from the process and product engineering point of view. Both fundamental and practical contributions will be provided from academia and industry. - Updates and informs the reader on the latest research findings using original reviews - Written by leading industry experts and scholars - Reviews and analyzes developments in the field
Download or read book Multiscale Modelling and Optimisation of Materials and Structures written by Tadeusz Burczynski and published by John Wiley & Sons. This book was released on 2022-05-19 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: Addresses the very topical, crucial and original subject of parameter identification and optimization within multiscale modeling methods Multiscale Modelling and Optimization of Materials and Structures presents an important and challenging area of research that enables the design of new materials and structures with better quality, strength and performance parameters as well as the creation of reliable models that take into account structural, material and topological properties at different scales. The authors’ approach is four-fold; 1) the basic principles of micro and nano scale modeling techniques; 2) the connection of micro and/or nano scale models with macro simulation software; 3) optimization development in the framework of multiscale engineering and the solution of identification problems; 4) the computer science techniques used in this model and advice for scientists interested in developing their own models and software for multiscale analysis and optimization. The authors present several approaches such as the bridging and homogenization methods, as well as the general formulation of complex optimization and identification problems in multiscale modelling. They apply global optimization algorithms based on robust bioinspired algorithms, proposing parallel and multi-subpopulation approaches in order to speed-up computations, and discuss several numerical examples of multiscale modeling, optimization and identification of composite and functionally graded engineering materials and bone tissues. Multiscale Modelling and Optimization of Materials and Structures is thereby a valuable source of information for young scientists and students looking to develop their own models, write their own computer programs and implement them into simulation systems. Describes micro and nano scale models developed by the authors along with case studies of analysis and optimization Discusses the problems of computing costs, efficiency of information transfer, effective use of the computer memory and several other aspects of development of multiscale models Includes real physical, chemical and experimental studies with modern experimental techniques Provides a valuable source of information for young scientists and students looking to develop their own models, write their own computer programs, and implement them into simulation systems.
Download or read book Trends in Nanoscale Mechanics written by Vasyl Harik and published by Springer. This book was released on 2014-08-19 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains a collection of the state-of-the-art reviews written by the leading researchers in the areas of nanoscale mechanics, molecular dynamics, nanoscale modeling of nanocomposites and mechanics of carbon nanotubes. No other book provides reviews of recent discoveries such as a nanoscale analog of the Pauli’s principle, i.e., effect of the spatial exclusion of electrons or the SEE effect, a new Registry Matrix Analysis for the nanoscale interfacial sliding and new data on the effective viscosity of interfacial electrons in nanoscale stiction at the interfaces. This volume is also an exceptional resource on the well tested nanoscale modeling of carbon nanotubes and nanocomposites, new nanoscale effects, unique evaluations of the effective thickness of carbon nanotubes under different loads, new data on which size of carbon nanotubes is safer and many other topics. Extensive bibliography concerning all these topics is included along with the lucid short reviews. Numerous illustrations are provided for molecular dynamic simulations, fascinating nanoscale phenomena and remarkable new effects. It is of interest to a wide range of researchers and students.
Download or read book Multiscale Modeling of Electronic Polarization Effects in Interfacial Thermodynamics and Nanoscale Transport Phenomena written by Rahul Prasanna Misra and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In conclusion, this thesis aims at bridging the significant length and timescales associated with modeling electronic polarization at the atomistic level all the way to the determination of macroscopic properties (e.g., free energy of ion adsorption, ion diffusion coefficient) which are measurable experimentally. By investigating the wetting of graphitic surfaces, the thermodynamics of salt ion adsorption, and the confined water and salt ion transport through CNTs, this thesis also underscores the broad relevance of electronic polarization effects in interfacial phenomena.
Download or read book Nanoscale Phenomena written by Horst Hahn and published by Springer Science & Business Media. This book was released on 2009-09-18 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main intention of the editors of the book is the demonstration of the intrinsic correlation and mutual influence of three important components of nanoscience: new phenomena – nanomaterials – nanodevices. This is the organizing concept of the book. To discover new phenomena it is necessary to develop novel nanotechnological processes for fabrication of nanomaterials. Nanostructures and new phenomena serve as the base for the development of novel nanoelectronic devices and systems. The articles selected for the book illustrate this interrelation.
Download or read book Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer written by Ilia A. Solov’yov and published by Springer. This book was released on 2017-05-16 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces readers to MesoBioNano (MBN) Explorer – a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface – the MBN Studio – which enables the set-up of input files, controls the simulations, and supports the subsequent visualization and analysis of the results obtained. The book subsequently provides a systematic description of the capabilities of this universal and powerful software package within the framework of computational molecular science, and guides readers through its applications in numerous areas of research in bio- and chemical physics and material science – ranging from the nano- to the mesoscale. MBN Explorer is particularly suited to computing the system’s energy, to optimizing molecular structure, and to exploring the various facets of molecular and random walk dynamics. The package allows the use of a broad variety of interatomic potentials and can, e.g., be configured to select any subset of a molecular system as rigid fragments, whenever a significant reduction in the number of dynamical degrees of freedom is required for computational practicalities. MBN Studio enables users to easily construct initial geometries for the molecular, liquid, crystalline, gaseous and hybrid systems that serve as input for the subsequent simulations of their physical and chemical properties using MBN Explorer. Despite its universality, the computational efficiency of MBN Explorer is comparable to that of other, more specialized software packages, making it a viable multi-purpose alternative for the computational modeling of complex molecular systems. A number of detailed case studies presented in the second part of this book demonstrate MBN Explorer’s usefulness and efficiency in the fields of atomic clusters and nanoparticles, biomolecular systems, nanostructured materials, composite materials and hybrid systems, crystals, liquids and gases, as well as in providing modeling support for novel and emerging technologies. Last but not least, with the release of the 3rd edition of MBN Explorer in spring 2017, a free trial version will be available from the MBN Research Center website (mbnresearch.com).
Download or read book Micromechanics and Nanoscale Effects written by Vasyl Michael Harik and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 251 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume consists of the state-of-the-art reports on new developments in micromechanics and the modeling of nanoscale effects, and is a companion book to the recent Kluwer volume on nanomechanics and mul- scale modeling (it is entitled Trends in Nanoscale Mechanics). The two volumes grew out of a series of discussions held at NASA Langley Research Center (LaRC), lectures and other events shared by many researchers from the national research laboratories and academia. The key events include the 2001 Summer Series of Round-Table Discussions on Nanotechnology at ICASE Institute (NASA LaRC) organized by Drs. V. M. Harik and M. D. Salas and the 2002 NASA LaRC Workshop on Multi-scale Modeling. The goal of these interactions was to foster collaborations between academic researchers and the ICASE Institute (NASA LaRC), a universi- based institute, which has pioneered world-class computational, theoretical and experimental research in the disciplines that are important to NASA. Editors gratefully acknowledge help of Ms. E. Todd (ICASE, NASA LaRC), the ICASE Director M. D. Salas and all reviewers, in particular, Dr. B. Diskin (ICASE/NIA, NASA LaRC), Prof. R. Haftka (University of Florida), Dr. V. M. Harik (ICASE/Swales Aerospace, NASA LaRC), Prof.
