Multiscale Modeling Of Particle Interactions

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Multiscale Modeling of Particle Interactions

Michael King,David Gee
Multiscale Modeling of Particle Interactions Book PDF

Author : Michael King,David Gee
Publisher : John Wiley & Sons
Page : 398 pages
File Size : 46,7 Mb
Release : 2010-03-30
Category : Science
ISBN : 9780470579824

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Multiscale Modeling of Particle Interactions by Michael King,David Gee Pdf

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.

Multiscale Modeling of Particle Interactions

Michael King,David Gee
Multiscale Modeling of Particle Interactions Book PDF

Author : Michael King,David Gee
Publisher : Wiley
Page : 388 pages
File Size : 43,8 Mb
Release : 2010-03-22
Category : Science
ISBN : 0470242353

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Multiscale Modeling of Particle Interactions by Michael King,David Gee Pdf

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.

Multi-scale Analysis for Random Quantum Systems with Interaction

Victor Chulaevsky,Yuri Suhov
Multi scale Analysis for Random Quantum Systems with Interaction Book PDF

Author : Victor Chulaevsky,Yuri Suhov
Publisher : Springer Science & Business Media
Page : 246 pages
File Size : 43,7 Mb
Release : 2013-09-20
Category : Mathematics
ISBN : 9781461482260

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Multi-scale Analysis for Random Quantum Systems with Interaction by Victor Chulaevsky,Yuri Suhov Pdf

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.

Particle Methods for Multi-Scale and Multi-Physics

M B Liu,G R Liu
Particle Methods for Multi Scale and Multi Physics Book PDF

Author : M B Liu,G R Liu
Publisher : World Scientific
Page : 400 pages
File Size : 49,6 Mb
Release : 2015-12-28
Category : Mathematics
ISBN : 9789814571715

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Particle Methods for Multi-Scale and Multi-Physics by M B Liu,G R Liu Pdf

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. Contents:IntroductionMolecular DynamicsDissipative Particle Dynamics — MethodologyDissipative Particle Dynamics — ApplicationsSmoothed Particle Hydrodynamics — MethodologySmoothed Particle Hydrodynamics — ApplicationsThree Typical Particle Methods Readership: Undergraduates, graduates, researchers, and professionals studying/dealing with fluid mechanics, numerical analysis and computational mathematics, engineering mechanics, ocean engineering, mechanical engineering. Key Features:The authors have many years of experience in meshfree and particle methods, and are renowned scientists in related areas, with highly cited publications. This can greatly attracts fellow researchers from all around the world to probe the latest development on current major particle methodsThe authors have authored numerous technical publications, and many popular books. They truly understand what the fellow researchers think and wantThe authors have extensive network in academics and research. It is comparatively easy to introduce the book to professional organizations, international conferences, and different academic bodies such as universities and research institutesKeywords:Computer Modeling;Numerical Methods;Meshfree Particle Methods;Smoothed Particle Hydrodynamics;Dissipative Particle Dynamics;Molecular Dynamics

Computational Multiscale Modeling of Fluids and Solids

Martin Oliver Steinhauser
Computational Multiscale Modeling of Fluids and Solids Book PDF

Author : Martin Oliver Steinhauser
Publisher : Springer Science & Business Media
Page : 863 pages
File Size : 47,8 Mb
Release : 2008
Category : Science
ISBN : 9783540751168

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Computational Multiscale Modeling of Fluids and Solids by Martin Oliver Steinhauser Pdf

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.

Multiscale Simulation Methods for Nanomaterials

Richard B. Ross,Sanat Mohanty
Multiscale Simulation Methods for Nanomaterials Book PDF

Author : Richard B. Ross,Sanat Mohanty
Publisher : John Wiley & Sons
Page : 300 pages
File Size : 47,7 Mb
Release : 2008-02-04
Category : Science
ISBN : 9780470191668

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Multiscale Simulation Methods for Nanomaterials by Richard B. Ross,Sanat Mohanty Pdf

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.

Multiscale Modeling of Vascular Dynamics of Micro- and Nano-particles

Huilin Ye,Zhiqiang Shen,Ying Li
Multiscale Modeling of Vascular Dynamics of Micro and Nano particles Book PDF

Author : Huilin Ye,Zhiqiang Shen,Ying Li
Publisher : Morgan & Claypool Publishers
Page : 112 pages
File Size : 42,8 Mb
Release : 2020-01-02
Category : Science
ISBN : 9781643277929

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Multiscale Modeling of Vascular Dynamics of Micro- and Nano-particles by Huilin Ye,Zhiqiang Shen,Ying Li Pdf

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.

From Multiscale Modeling to Meso-Science

Jinghai Li,Wei Ge,Wei Wang,Ning Yang,Xinhua Liu,Limin Wang,Xianfeng He,Xiaowei Wang,Junwu Wang,Mooson Kwauk
From Multiscale Modeling to Meso Science Book PDF

Author : Jinghai Li,Wei Ge,Wei Wang,Ning Yang,Xinhua Liu,Limin Wang,Xianfeng He,Xiaowei Wang,Junwu Wang,Mooson Kwauk
Publisher : Springer Science & Business Media
Page : 497 pages
File Size : 53,9 Mb
Release : 2013-03-22
Category : Technology & Engineering
ISBN : 9783642351891

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From Multiscale Modeling to Meso-Science by Jinghai Li,Wei Ge,Wei Wang,Ning Yang,Xinhua Liu,Limin Wang,Xianfeng He,Xiaowei Wang,Junwu Wang,Mooson Kwauk Pdf

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.

Dispersive Transport Equations and Multiscale Models

Ben Abdallah Naoufel,Anton Arnold,Pierre Degond,Irene M. Gamba,Robert T. Glassey,C. David Levermore,Christian Ringhofer
Dispersive Transport Equations and Multiscale Models Book PDF

Author : Ben Abdallah Naoufel,Anton Arnold,Pierre Degond,Irene M. Gamba,Robert T. Glassey,C. David Levermore,Christian Ringhofer
Publisher : Springer Science & Business Media
Page : 295 pages
File Size : 53,6 Mb
Release : 2012-12-06
Category : Mathematics
ISBN : 9781441989352

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Dispersive Transport Equations and Multiscale Models by Ben Abdallah Naoufel,Anton Arnold,Pierre Degond,Irene M. Gamba,Robert T. Glassey,C. David Levermore,Christian Ringhofer Pdf

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.

Multiscale Modeling

Pedro Derosa,Tahir Cagin
Multiscale Modeling Book PDF

Author : Pedro Derosa,Tahir Cagin
Publisher : CRC Press
Page : 310 pages
File Size : 41,8 Mb
Release : 2010-12-09
Category : Science
ISBN : 9781439810408

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Multiscale Modeling by Pedro Derosa,Tahir Cagin Pdf

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

Computational Multiscale Modeling of Multiphase Nanosystems

Alexander V. Vakhrushev
Computational Multiscale Modeling of Multiphase Nanosystems Book PDF

Author : Alexander V. Vakhrushev
Publisher : CRC Press
Page : 403 pages
File Size : 55,8 Mb
Release : 2017-10-10
Category : Science
ISBN : 9781771885294

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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 Multiscale Modeling of Fluids and Solids

Martin Oliver Steinhauser
Computational Multiscale Modeling of Fluids and Solids Book PDF

Author : Martin Oliver Steinhauser
Publisher : Springer Nature
Page : 450 pages
File Size : 44,7 Mb
Release : 2022-07-28
Category : Science
ISBN : 9783030989545

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Computational Multiscale Modeling of Fluids and Solids by Martin Oliver Steinhauser Pdf

The expanded 3rd edition of this established textbook offers an updated overview and review of the computational physics techniques used in materials modelling over different length and time scales. It describes in detail the theory and application of some of the most important methods used to simulate materials across the various levels of spatial and temporal resolution. Quantum mechanical methods such as the Hartree-Fock approximation for solving the Schrödinger equation at the smallest spatial resolution are discussed as well as the Molecular Dynamics and Monte-Carlo methods on the micro- and meso-scale up to macroscopic methods used predominantly in the Engineering world such as Finite Elements (FE) or Smoothed Particle Hydrodynamics (SPH). Extensively updated throughout, this new edition includes additional sections on polymer theory, statistical physics and continuum theory, the latter being the basis of FE methods and SPH. Each chapter now first provides an overview of the key topics covered, with a new “key points” section at the end. The book is aimed at beginning or advanced graduate students who want to enter the field of computational science on multi-scales. It provides an in-depth overview of the basic physical, mathematical and numerical principles for modelling solids and fluids on the micro-, meso-, and macro-scale. With a set of exercises, selected solutions and several case studies, it is a suitable book for students in physics, engineering, and materials science, and a practical reference resource for those already using materials modelling and computational methods in their research.

Principles of Multiscale Modeling

Weinan E
Principles of Multiscale Modeling Book PDF

Author : Weinan E
Publisher : Cambridge University Press
Page : 485 pages
File Size : 46,6 Mb
Release : 2011-07-07
Category : Mathematics
ISBN : 9781107096547

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Principles of Multiscale Modeling by Weinan E Pdf

A systematic discussion of the fundamental principles, written by a leading contributor to the field.

Multiscale Modelling and Simulation

Sabine Attinger,Petros Koumoutsakos
Multiscale Modelling and Simulation Book PDF

Author : Sabine Attinger,Petros Koumoutsakos
Publisher : Springer Science & Business Media
Page : 304 pages
File Size : 40,6 Mb
Release : 2004-07-12
Category : Mathematics
ISBN : 3540211802

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Multiscale Modelling and Simulation by Sabine Attinger,Petros Koumoutsakos Pdf

In August 2003, ETHZ Computational Laboratory (CoLab), together with the Swiss Center for Scientific Computing in Manno and the Università 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.

Exploring Computational Pharmaceutics

Defang Ouyang
Exploring Computational Pharmaceutics Book PDF

Author : Defang Ouyang
Publisher : John Wiley & Sons
Page : 629 pages
File Size : 40,6 Mb
Release : 2024-11-12
Category : Science
ISBN : 9781119987130

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Exploring Computational Pharmaceutics by Defang Ouyang Pdf

Provides an extensive and up-to-date overview of the theory and application of computational pharmaceutics in the drug development process Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 introduces a variety of current and emerging computational techniques for pharmaceutical research. Bringing together experts from academia, industry, and regulatory agencies, this edited volume also explores the current state, key challenges, and future outlook of computational pharmaceutics while encouraging development across all sectors of the field. Throughout the text, the authors discuss a wide range of essential topics, from molecular modeling and process simulation to intelligent manufacturing and quantitative pharmacology. Building upon Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0, this new edition provides a multi-scale perspective that reveals the physical, chemical, mathematical, and data-driven details of pre-formulation, formulation, process, and clinical studies, in addition to in vivo prediction in the human body and precision medicine in clinical settings. Detailed chapters address both conventional dosage forms and the application of computational technologies in advanced pharmaceutical research, such as dendrimer-based delivery systems, liposome and lipid membrane research, and inorganic nanoparticles. A major contribution to the development and promotion of computational pharmaceutics, this important resource: Discusses the development track, achievements, and prospects of computational pharmaceutics Presents multidisciplinary research to help physicists, chemists, mathematicians, and computer scientists locate problems in the field of drug delivery Covers a wide range of technologies, including complex formulations for water-insoluble drugs, protein/peptide formulations, nanomedicine, and gene delivery systems Focuses on the application of cutting-edge computational technologies and intelligent manufacturing of emerging pharmaceutical technologies Includes a systematic overview of computational pharmaceutics and Pharma 4.0 to assist non-specialist readers Covering introductory, advanced, and specialist topics, Exploring Computational Pharmaceutics - AI and Modeling in Pharma 4.0 is an invaluable resource for computational chemists, computational analysts, pharmaceutical chemists, process engineers, process managers, and pharmacologists, as well as computer scientists, medicinal chemists, clinical pharmacists, material scientists, and nanotechnology specialists working in the field.