Multiscale Modeling And Simulation In Science

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Multiscale Modeling and Simulation in Science

Björn Engquist,Per Lötstedt,Olof Runborg
Multiscale Modeling and Simulation in Science Book PDF

Author : Björn Engquist,Per Lötstedt,Olof Runborg
Publisher : Springer Science & Business Media
Page : 332 pages
File Size : 51,9 Mb
Release : 2009-02-11
Category : Computers
ISBN : 9783540888574

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Multiscale Modeling and Simulation in Science by Björn Engquist,Per Lötstedt,Olof Runborg Pdf

Most problems in science involve many scales in time and space. An example is turbulent ?ow where the important large scale quantities of lift and drag of a wing depend on the behavior of the small vortices in the boundarylayer. Another example is chemical reactions with concentrations of the species varying over seconds and hours while the time scale of the oscillations of the chemical bonds is of the order of femtoseconds. A third example from structural mechanics is the stress and strain in a solid beam which is well described by macroscopic equations but at the tip of a crack modeling details on a microscale are needed. A common dif?culty with the simulation of these problems and many others in physics, chemistry and biology is that an attempt to represent all scales will lead to an enormous computational problem with unacceptably long computation times and large memory requirements. On the other hand, if the discretization at a coarse level ignoresthe?nescale informationthenthesolutionwillnotbephysicallymeaningful. The in?uence of the ?ne scales must be incorporated into the model. This volume is the result of a Summer School on Multiscale Modeling and S- ulation in Science held at Boso ¤n, Lidingo ¤ outside Stockholm, Sweden, in June 2007. Sixty PhD students from applied mathematics, the sciences and engineering parti- pated in the summer school.

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 : 50,6 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.

Multiscale Modeling and Simulation in Science

Björn Engquist,Per Lötstedt,Olof Runborg
Multiscale Modeling and Simulation in Science Book PDF

Author : Björn Engquist,Per Lötstedt,Olof Runborg
Publisher : Springer
Page : 320 pages
File Size : 44,5 Mb
Release : 2009-08-29
Category : Computers
ISBN : 3540891579

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Multiscale Modeling and Simulation in Science by Björn Engquist,Per Lötstedt,Olof Runborg Pdf

Most problems in science involve many scales in time and space. An example is turbulent ?ow where the important large scale quantities of lift and drag of a wing depend on the behavior of the small vortices in the boundarylayer. Another example is chemical reactions with concentrations of the species varying over seconds and hours while the time scale of the oscillations of the chemical bonds is of the order of femtoseconds. A third example from structural mechanics is the stress and strain in a solid beam which is well described by macroscopic equations but at the tip of a crack modeling details on a microscale are needed. A common dif?culty with the simulation of these problems and many others in physics, chemistry and biology is that an attempt to represent all scales will lead to an enormous computational problem with unacceptably long computation times and large memory requirements. On the other hand, if the discretization at a coarse level ignoresthe?nescale informationthenthesolutionwillnotbephysicallymeaningful. The in?uence of the ?ne scales must be incorporated into the model. This volume is the result of a Summer School on Multiscale Modeling and S- ulation in Science held at Boso ¤n, Lidingo ¤ outside Stockholm, Sweden, in June 2007. Sixty PhD students from applied mathematics, the sciences and engineering parti- pated in the summer school.

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 : 42,8 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.

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 : 284 pages
File Size : 51,5 Mb
Release : 2012-12-06
Category : Mathematics
ISBN : 9783642187568

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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 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

Principles of Multiscale Modeling

Weinan E
Principles of Multiscale Modeling Book PDF

Author : Weinan E
Publisher : Cambridge University Press
Page : 485 pages
File Size : 47,8 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 Modeling and Simulation of Shock Wave-Induced Failure in Materials Science

Martin Oliver Steinhauser
Multiscale Modeling and Simulation of Shock Wave Induced Failure in Materials Science Book PDF

Author : Martin Oliver Steinhauser
Publisher : Springer
Page : 224 pages
File Size : 49,6 Mb
Release : 2018-02-24
Category : Medical
ISBN : 9783658211349

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Multiscale Modeling and Simulation of Shock Wave-Induced Failure in Materials Science by Martin Oliver Steinhauser Pdf

Martin Oliver Steinhauser deals with several aspects of multiscale materials modeling and simulation in applied materials research and fundamental science. He covers various multiscale modeling approaches for high-performance ceramics, biological bilayer membranes, semi-flexible polymers, and human cancer cells. He demonstrates that the physics of shock waves, i.e., the investigation of material behavior at high strain rates and of material failure, has grown to become an important interdisciplinary field of research on its own. At the same time, progress in computer hardware and software development has boosted new ideas in multiscale modeling and simulation. Hence, bridging the length and time scales in a theoretical-numerical description of materials has become a prime challenge in science and technology.

Multiscale Materials Modeling for Nanomechanics

Christopher R. Weinberger,Garritt J. Tucker
Multiscale Materials Modeling for Nanomechanics Book PDF

Author : Christopher R. Weinberger,Garritt J. Tucker
Publisher : Springer
Page : 547 pages
File Size : 47,6 Mb
Release : 2016-08-30
Category : Technology & Engineering
ISBN : 9783319334806

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Multiscale Materials Modeling for Nanomechanics by Christopher R. Weinberger,Garritt J. Tucker Pdf

This book presents a unique combination of chapters that together provide a practical introduction to multiscale modeling applied to nanoscale materials mechanics. The goal of this book is to present a balanced treatment of both the theory of the methodology, as well as some practical aspects of conducting the simulations and models. The first half of the book covers some fundamental modeling and simulation techniques ranging from ab-inito methods to the continuum scale. Included in this set of methods are several different concurrent multiscale methods for bridging time and length scales applicable to mechanics at the nanoscale regime. The second half of the book presents a range of case studies from a varied selection of research groups focusing either on a the application of multiscale modeling to a specific nanomaterial, or novel analysis techniques aimed at exploring nanomechanics. Readers are also directed to helpful sites and other resources throughout the book where the simulation codes and methodologies discussed herein can be accessed. Emphasis on the practicality of the detailed techniques is especially felt in the latter half of the book, which is dedicated to specific examples to study nanomechanics and multiscale materials behavior. An instructive avenue for learning how to effectively apply these simulation tools to solve nanomechanics problems is to study previous endeavors. Therefore, each chapter is written by a unique team of experts who have used multiscale materials modeling to solve a practical nanomechanics problem. These chapters provide an extensive picture of the multiscale materials landscape from problem statement through the final results and outlook, providing readers with a roadmap for incorporating these techniques into their own research.

Multiscale Modeling and Simulation of Composite Materials and Structures

Young Kwon,David H. Allen,Ramesh R. Talreja
Multiscale Modeling and Simulation of Composite Materials and Structures Book PDF

Author : Young Kwon,David H. Allen,Ramesh R. Talreja
Publisher : Springer Science & Business Media
Page : 634 pages
File Size : 52,8 Mb
Release : 2007-12-04
Category : Technology & Engineering
ISBN : 9780387363189

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Multiscale Modeling and Simulation of Composite Materials and Structures by Young Kwon,David H. Allen,Ramesh R. Talreja Pdf

This book presents the state-of-the-art in multiscale modeling and simulation techniques for composite materials and structures. It focuses on the structural and functional properties of engineering composites and the sustainable high performance of components and structures. The multiscale techniques can be also applied to nanocomposites which are important application areas in nanotechnology. There are few books available on this topic.

Multiscale Modeling and Analysis for Materials Simulation

Weizhu Bao,Qiang Du
Multiscale Modeling and Analysis for Materials Simulation Book PDF

Author : Weizhu Bao,Qiang Du
Publisher : World Scientific
Page : 285 pages
File Size : 41,8 Mb
Release : 2012
Category : Mathematics
ISBN : 9789814360906

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Multiscale Modeling and Analysis for Materials Simulation by Weizhu Bao,Qiang Du Pdf

The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on OC Mathematical Theory and Numerical Methods for Computational Materials Simulation and DesignOCO from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.

Scientific Modeling and Simulations

Sidney Yip,Tomas Diaz Rubia
Scientific Modeling and Simulations Book PDF

Author : Sidney Yip,Tomas Diaz Rubia
Publisher : Springer Science & Business Media
Page : 396 pages
File Size : 50,8 Mb
Release : 2010-04-07
Category : Science
ISBN : 9781402097416

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Scientific Modeling and Simulations by Sidney Yip,Tomas Diaz Rubia Pdf

Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions. In particular, it is recognized that applied mechanical force can plausibly alter chemical reactions inside materials or at material interfaces, though the fundamental reasons for this chemomechanical coupling are studied in a material-speci c manner. Atomistic-level s- ulations can provide insight into the unit processes that facilitate kinetic reactions within complex materials, but the typical nanosecond timescales of such simulations are in contrast to the second-scale to hour-scale timescales of experimentally accessible or technologically relevant timescales. Further, in complex materials these key unit processes are “rare events” due to the high energy barriers associated with those processes. Examples of such rare events include unbinding between two proteins that tether biological cells to extracellular materials [1], unfolding of complex polymers, stiffness and bond breaking in amorphous glass bers and gels [2], and diffusive hops of point defects within crystalline alloys [3].

Multiscale Methods

Jacob Fish
Multiscale Methods Book PDF

Author : Jacob Fish
Publisher : Oxford University Press on Demand
Page : 631 pages
File Size : 55,6 Mb
Release : 2010
Category : Mathematics
ISBN : 9780199233854

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Multiscale Methods by Jacob Fish Pdf

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.

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 : 55,5 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.

Practical Aspects of Computational Chemistry

Jerzy Leszczynski,Manoj Shukla
Practical Aspects of Computational Chemistry Book PDF

Author : Jerzy Leszczynski,Manoj Shukla
Publisher : Springer Science & Business Media
Page : 465 pages
File Size : 40,8 Mb
Release : 2009-10-03
Category : Science
ISBN : 9789048126873

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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.

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 : 43,9 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.