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Multiscale Modeling Of Particle Interactions
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Book Synopsis Multiscale Modeling of Particle Interactions by : Michael King
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.
Book Synopsis Multiscale Modeling of Particle Interactions by : Michael King
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.
Book Synopsis Multiscale Modeling of Multimaterial Systems Using a Kriging Based Approach by : Oishik Sen
Download or read book Multiscale Modeling of Multimaterial Systems Using a Kriging Based Approach written by Oishik Sen and published by . This book was released on 2016 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is shown that unlike the DKG method, the MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. In macroscale models for shock-particle interactions, Subgrid Particle Reynolds' Stress Equivalent (SPARSE) terms arise because of velocity fluctuations due to fluid-particle interaction in the subgrid/meso scales. Mesoscale computations are performed to calculate the SPARSE terms and the kinetic energy of the fluctuations for different values of Mach Number and particle volume fraction. Closure laws for SPARSE terms are constructed using the MBKG method. It is found that the directions normal and parallel to those of shock propagation are the principal directions of the SPARSE tensor. It is also found that the kinetic energy of the fluctuations is independent of the particle volume fraction and is 12-15% of the incoming shock kinetic energy for higher Mach Numbers. Finally, the thesis addresses the cost of performing large ensembles of resolved mesoscale computations for constructing surrogates. Variable fidelity techniques are used to construct an initial surrogate from ensembles of coarse-grid, relative inexpensive computations, while the use of resolved high-fidelity simulations is limited to the correction of initial surrogate. Different variable-fidelity techniques, viz the Space Mapping Method, RBFs and the MBKG methods are evaluated based on their ability to correct the initial surrogate. It is found that the MBKG method uses the least number of resolved mesoscale computations to correct the low-fidelity metamodel. Instead of using 56 high-fidelity computations for obtaining a surrogate, the MBKG method constructs surrogates from only 15 resolved computations, resulting in drastic reduction of computational cost.
Book Synopsis Particle Methods for Multi-Scale and Multi-physics by : Moubin E. T. Al LIU
Download or read book Particle Methods for Multi-Scale and Multi-physics written by Moubin E. T. Al LIU and published by World Scientific. This book was released on 2015-12-28 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multi-scale and multi-physics modeling is useful and important for all areas in engineering and sciences. Particle Methods for Multi-Scale and Multi-Physics systematically addresses some major particle methods for modeling multi-scale and multi-physical problems in engineering and sciences. It contains different particle methods from atomistic scales to continuum scales, with emphasis on molecular dynamics (MD), dissipative particle dynamics (DPD) and smoothed particle hydrodynamics (SPH). This book covers the theoretical background, numerical techniques and many interesting applications of the particle methods discussed in this text, especially in: micro-fluidics and bio-fluidics (e.g., micro drop dynamics, movement and suspension of macro-molecules, cell deformation and migration); environmental and geophysical flows (e.g., saturated and unsaturated flows in porous media and fractures); and free surface flows with possible interacting solid objects (e.g., wave impact, liquid sloshing, water entry and exit, oil spill and boom movement). The presented methodologies, techniques and example applications will benefit students, researchers and professionals in computational engineering and sciences --
Book Synopsis Multiscale Modeling by : Pedro Derosa
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
Author :Martin Oliver Steinhauser Publisher :Springer Science & Business Media ISBN 13 :3540751165 Total Pages :863 pages Book Rating :4.5/5 (47 download)
Book Synopsis Computational Multiscale Modeling of Fluids and Solids by : Martin Oliver Steinhauser
Download or read book Computational Multiscale Modeling of Fluids and Solids written by Martin Oliver Steinhauser and published by Springer Science & Business Media. This book was released on 2008 with total page 863 pages. Available in PDF, EPUB and Kindle. Book excerpt: The idea of the book is to provide a comprehensive overview of computational physics methods and techniques, that are used for materials modeling on different length and time scales. Each chapter first provides an overview of the physical basic principles which are the basis for the numerical and mathematical modeling on the respective length-scale. The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.
Book Synopsis Multiscale Modeling of Flows Containing Particles by :
Download or read book Multiscale Modeling of Flows Containing Particles written by and published by . This book was released on 2007 with total page 79 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale mathematical modeling of flows containing particles is conducted in this study using computational fluid dynamics and molecular dynamics. The first study considered continuous media interaction of macro-scale fluid and micro-scale solid particles using computational fluid dynamics and rigid particle dynamics. This study investigates the potential enhancement of heat transfer properties of particulate fluid as well as the effect of injected particles on fluid profiles, and pressure on walls under different particle injection conditions. In the second part of this research, the molecular dynamics simulation was performed to simulate solid-liquid interaction at the molecular level (nanotechnology) to understand their behaviors. The results from two different scales were compared qualitatively.
Book Synopsis Multi-scale Analysis for Random Quantum Systems with Interaction by : Victor Chulaevsky
Download or read book Multi-scale Analysis for Random Quantum Systems with Interaction written by Victor Chulaevsky and published by Springer Science & Business Media. This book was released on 2013-09-20 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of quantum disorder has generated considerable research activity in mathematics and physics over past 40 years. While single-particle models have been extensively studied at a rigorous mathematical level, little was known about systems of several interacting particles, let alone systems with positive spatial particle density. Creating a consistent theory of disorder in multi-particle quantum systems is an important and challenging problem that largely remains open. Multi-scale Analysis for Random Quantum Systems with Interaction presents the progress that had been recently achieved in this area. The main focus of the book is on a rigorous derivation of the multi-particle localization in a strong random external potential field. To make the presentation accessible to a wider audience, the authors restrict attention to a relatively simple tight-binding Anderson model on a cubic lattice Zd. This book includes the following cutting-edge features: an introduction to the state-of-the-art single-particle localization theory an extensive discussion of relevant technical aspects of the localization theory a thorough comparison of the multi-particle model with its single-particle counterpart a self-contained rigorous derivation of both spectral and dynamical localization in the multi-particle tight-binding Anderson model. Required mathematical background for the book includes a knowledge of functional calculus, spectral theory (essentially reduced to the case of finite matrices) and basic probability theory. This is an excellent text for a year-long graduate course or seminar in mathematical physics. It also can serve as a standard reference for specialists.
Book Synopsis Multiscale Modeling of Vascular Dynamics of Micro- and Nano-particles by : Huilin Ye
Download or read book Multiscale Modeling of Vascular Dynamics of Micro- and Nano-particles written by Huilin Ye and published by Morgan & Claypool Publishers. This book was released on 2020-01-02 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances witness the potential to employ nanomedicine and game-changing methods to deliver drug molecules directly to diseased sites. To optimize and then enhance the efficacy and specificity, the control and guidance of drug carriers in vasculature has become crucial. Current bottlenecks in the optimal design of drug carrying particles are the lack of knowledge about the transport of particles, adhesion on endothelium wall and subsequent internalization into diseased cells. To study the transport and adhesion of particle in vasculature, the authors have made great efforts to numerically investigate the dynamic and adhesive motions of particles in the blood flow. This book discusses the recent achievements from the establishment of fundamental physical problem to development of multiscale model, and finally large scale simulations for understanding transport of particle-based drug carriers in blood flow.
Book Synopsis Multiscale Modeling of Dynamic Particle Systems by : Brendon Waters
Download or read book Multiscale Modeling of Dynamic Particle Systems written by Brendon Waters and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling the dynamics of interacting many-particle systems is one of the central challenges at the forefront of condensed matter physics. When systems of interacting particles are driven out of equilibrium, complex emergent behaviors can arise that are difficult to predict from their individual properties. In this work, we model two such dynamic many-particle systems. The first is a nanocomposite of conductive CrO2and insulating Cr2O3 nanoparticles. We numerically model the nanoparticles as hard spherocylinders, systems of which are compressed into dense, disordered, packings via the mechanical contraction method, with various volume fractions of conductive CrO2. We then analyze the resulting ensembles of these nanocomposites to identify their critical percolation properties through a finite size scaling analysis. We use a randomly walking "blind ant" approach to calculate the conductivity of the nanocomposite and obtain the conductivity critical exponent of the nanocomposite system, which agrees with experimental measurements. Intriguingly, the calculated percolation threshold we obtained,pc= 0.312±0.002, is near (within numerical errors) those found previously in two other systems, disordered jammed spheres, and simple cubic lattice.The second type of system we model the evolution of is embedded grains in two dimensional (2D) crystals. We model 2D materials with the phase field crystal (PFC) model,which captures both atomic spatial resolution and slow diffusive dynamics, allowing for precise mapping of defect structures around evolving grain boundaries. We apply the Cahn-Taylor formulation of grain boundary motion to show that the normal motion of a shrinking embedded grain boundary couples to the tangential motion of atoms along the boundary,resulting in a net rotation of the grain as it changes size. Furthermore, we show that a more complex two component system such as hexagonal boron nitride (h-BN) exhibits a dual mode behavior of grain rotation, where the bonding energy difference between different atomic species results in competing rotations in opposite directions for binary embedded grains. This highlights the role played by the lattice inversion symmetry breaking in binary or multi-component materials as compared to single-component materials. The potential implications for processing techniques used to produce large crystals of 2D materials are also discussed.
Book Synopsis Multiphysics and Multiscale Modeling by : Young W. Kwon
Download or read book Multiphysics and Multiscale Modeling written by Young W. Kwon and published by CRC Press. This book was released on 2015-10-05 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written to appeal to a wide field of engineers and scientists who work on multiscale and multiphysics analysis, Multiphysics and Multiscale Modeling: Techniques and Applications is dedicated to the many computational techniques and methods used to develop man-made systems as well as understand living systems that exist in nature. Presenting a body
Book Synopsis Multiscale Modelling and Simulation by : Sabine Attinger
Download or read book Multiscale Modelling and Simulation written by Sabine Attinger and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Universit della Svizzera Italiana (USI), organized the Summer School in "Multiscale Modelling and Simulation" in Lugano, Switzerland. This summer school brought together experts in different disciplines to exchange ideas on how to link methodologies on different scales. Relevant examples of practical interest include: structural analysis of materials, flow through porous media, turbulent transport in high Reynolds number flows, large-scale molecular dynamic simulations, ab-initio physics and chemistry, and a multitude of others. Though multiple scale models are not new, the topic has recently taken on a new sense of urgency. A number of hybrid approaches are now created in which ideas coming from distinct disciplines or modelling approaches are unified to produce new and computationally efficient techniques
Book Synopsis The Hybrid Multiscale Simulation Technology by : Alexander S. Lipatov
Download or read book The Hybrid Multiscale Simulation Technology written by Alexander S. Lipatov and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive description of hybrid plasma simulation models providing a very useful summary and guide to the vast literature on this topic.
Book Synopsis Multiscale Modeling in Biomechanics and Mechanobiology by : Suvranu De
Download or read book Multiscale Modeling in Biomechanics and Mechanobiology written by Suvranu De and published by Springer. This book was released on 2014-10-10 with total page 287 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting a state-of-the-art overview of theoretical and computational models that link characteristic biomechanical phenomena, this book provides guidelines and examples for creating multiscale models in representative systems and organisms. It develops the reader's understanding of and intuition for multiscale phenomena in biomechanics and mechanobiology, and introduces a mathematical framework and computational techniques paramount to creating predictive multiscale models. Biomechanics involves the study of the interactions of physical forces with biological systems at all scales – including molecular, cellular, tissue and organ scales. The emerging field of mechanobiology focuses on the way that cells produce and respond to mechanical forces – bridging the science of mechanics with the disciplines of genetics and molecular biology. Linking disparate spatial and temporal scales using computational techniques is emerging as a key concept in investigating some of the complex problems underlying these disciplines. Providing an invaluable field manual for graduate students and researchers of theoretical and computational modelling in biology, this book is also intended for readers interested in biomedical engineering, applied mechanics and mathematical biology.
Book Synopsis Molecular Modeling and Multiscaling Issues for Electronic Material Applications by : Nancy Iwamoto
Download or read book Molecular Modeling and Multiscaling Issues for Electronic Material Applications written by Nancy Iwamoto and published by Springer Science & Business Media. This book was released on 2012-01-18 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications. Part I presents the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue. Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example of the use of quasi-continuum methods that are being used to address multiscaling issues. Part III is a more specific look at molecular dynamics in the determination of the thermal conductivity of carbon-nanotubes. Part IV covers the many aspects of molecular modeling needed to understand the relationship between the molecular structure and mechanical performance of materials. Finally, Part V discusses the transitional topic of multiscale modeling and recent developments to reach the submicronscale using mesoscale models, including examples of direct scaling and parameterization from the atomistic to the coarse-grained particle level.
Book Synopsis From Multiscale Modeling to Meso-Science by : Jinghai Li
Download or read book From Multiscale Modeling to Meso-Science written by Jinghai Li and published by Springer Science & Business Media. This book was released on 2013-03-22 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale modeling is becoming essential for accurate, rapid simulation in science and engineering. This book presents the results of three decades of research on multiscale modeling in process engineering from principles to application, and its generalization for different fields. This book considers the universality of meso-scale phenomena for the first time, and provides insight into the emerging discipline that unifies them, meso-science, as well as new perspectives for virtual process engineering. Multiscale modeling is applied in areas including: multiphase flow and fluid dynamics chemical, biochemical and process engineering mineral processing and metallurgical engineering energy and resources materials science and engineering Jinghai Li is Vice-President of the Chinese Academy of Sciences (CAS), a professor at the Institute of Process Engineering, CAS, and leader of the EMMS (Energy-minimizing multiscale) Group. Wei Ge, Wei Wang, Ning Yang and Junwu Wang are professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Xinhua Liu, Limin Wang, Xianfeng He and Xiaowei Wang are associate professors at the EMMS Group, part of the Institute of Process Engineering, CAS. Mooson Kwauk is an emeritus director of the Institute of Process Engineering, CAS, and is an advisor to the EMMS Group.
Book Synopsis Dispersive Transport Equations and Multiscale Models by : Ben Abdallah Naoufel
Download or read book Dispersive Transport Equations and Multiscale Models written by Ben Abdallah Naoufel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: IMA Volumes 135: Transport in Transition Regimes and 136: Dispersive Transport Equations and Multiscale Models focus on the modeling of processes for which transport is one of the most complicated components. This includes processes that involve a wdie range of length scales over different spatio-temporal regions of the problem, ranging from the order of mean-free paths to many times this scale. Consequently, effective modeling techniques require different transport models in each region. The first issue is that of finding efficient simulations techniques, since a fully resolved kinetic simulation is often impractical. One therefore develops homogenization, stochastic, or moment based subgrid models. Another issue is to quantify the discrepancy between macroscopic models and the underlying kinetic description, especially when dispersive effects become macroscopic, for example due to quantum effects in semiconductors and superfluids. These two volumes address these questions in relation to a wide variety of application areas, such as semiconductors, plasmas, fluids, chemically reactive gases, etc.
