Multiscale Dynamics Simulations

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Publisher : Royal Society of Chemistry
ISBN 13 : 1839164670
Total Pages : 411 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Multiscale Dynamics Simulations by : Dennis R. Salahub

Download or read book Multiscale Dynamics Simulations written by Dennis R. Salahub and published by Royal Society of Chemistry. This book was released on 2021-09-24 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade, great strides have been taken in developing methodologies that can treat more and more complex nano- and nano-bio systems embedded in complex environments. Multiscale Dynamics Simulations covers methods including DFT/MM-MD, DFTB and semi-empirical QM/MM-MD, DFT/MMPOL as well as Machine-learning approaches to all of the above. Focusing on key methodological breakthroughs in the field, this book provides newcomers with a comprehensive menu of multiscale modelling options so that they can better chart their course in the nano/bio world.

Multiscale Modelling and Simulation

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 9783540211808
Total Pages : 304 pages
Book Rating : 4.2/5 (118 download)

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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 2004-07-12 with total page 304 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 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 of Pedestrian Dynamics

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Author :
Publisher : Springer
ISBN 13 : 331906620X
Total Pages : 271 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis Multiscale Modeling of Pedestrian Dynamics by : Emiliano Cristiani

Download or read book Multiscale Modeling of Pedestrian Dynamics written by Emiliano Cristiani and published by Springer. This book was released on 2014-09-12 with total page 271 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents mathematical models and numerical simulations of crowd dynamics. The core topic is the development of a new multiscale paradigm, which bridges the microscopic and macroscopic scales taking the most from each of them for capturing the relevant clues of complexity of crowds. The background idea is indeed that most of the complex trends exhibited by crowds are due to an intrinsic interplay between individual and collective behaviors. The modeling approach promoted in this book pursues actively this intuition and profits from it for designing general mathematical structures susceptible of application also in fields different from the inspiring original one. The book considers also the two most traditional points of view: the microscopic one, in which pedestrians are tracked individually and the macroscopic one, in which pedestrians are assimilated to a continuum. Selected existing models are critically analyzed. The work is addressed to researchers and graduate students.

Multiscale Materials Modeling for Nanomechanics

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Publisher : Springer
ISBN 13 : 3319334808
Total Pages : 554 pages
Book Rating : 4.3/5 (193 download)

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Book Synopsis Multiscale Materials Modeling for Nanomechanics by : Christopher R. Weinberger

Download or read book Multiscale Materials Modeling for Nanomechanics written by Christopher R. Weinberger and published by Springer. This book was released on 2016-08-30 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 0387363181
Total Pages : 634 pages
Book Rating : 4.3/5 (873 download)

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Book Synopsis Multiscale Modeling and Simulation of Composite Materials and Structures by : Young Kwon

Download or read book Multiscale Modeling and Simulation of Composite Materials and Structures written by Young Kwon and published by Springer Science & Business Media. This book was released on 2007-12-04 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Simulation in Science

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Publisher : Springer Science & Business Media
ISBN 13 : 3540888578
Total Pages : 332 pages
Book Rating : 4.5/5 (48 download)

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Book Synopsis Multiscale Modeling and Simulation in Science by : Björn Engquist

Download or read book Multiscale Modeling and Simulation in Science written by Björn Engquist and published by Springer Science & Business Media. This book was released on 2009-02-11 with total page 332 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

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Author :
Publisher : Springer Science & Business Media
ISBN 13 : 3642187560
Total Pages : 276 pages
Book Rating : 4.6/5 (421 download)

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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

Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations

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Author :
Publisher : Frontiers Media SA
ISBN 13 : 2889661091
Total Pages : 235 pages
Book Rating : 4.8/5 (896 download)

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Book Synopsis Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations by : Valentina Tozzini

Download or read book Multiscale Modeling From Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations written by Valentina Tozzini and published by Frontiers Media SA. This book was released on 2020-10-27 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.

Multiscale Modeling for Process Safety Applications

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Publisher : Butterworth-Heinemann
ISBN 13 : 0123972833
Total Pages : 446 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Multiscale Modeling for Process Safety Applications by : Arnab Chakrabarty

Download or read book Multiscale Modeling for Process Safety Applications written by Arnab Chakrabarty and published by Butterworth-Heinemann. This book was released on 2015-11-29 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

An Introduction to Multiscale Modeling with Applications

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Publisher : Società Editrice Esculapio
ISBN 13 : 8874885873
Total Pages : 372 pages
Book Rating : 4.8/5 (748 download)

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Book Synopsis An Introduction to Multiscale Modeling with Applications by : Pietro Asinari

Download or read book An Introduction to Multiscale Modeling with Applications written by Pietro Asinari and published by Società Editrice Esculapio. This book was released on 2013-09-01 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book collects the slides prepared for the course of Advanced Engineering Thermodynamics (Master of Science in Mechanical Engineering) and those for the course of Multiscale Modelling and Simulation of Molecular and Mesoscopic Dynamics (PhD Program in Energetics), taught in English at Turin Polytechnic. Here, we provide a broad overview on the different topics taught in our classes. Even though not all topics are presented in the same class, students should be able to more easily reconstruct the connections among different phenomena (and scales), build their own mind map and, eventually, find their own way of deepening the subjects they are more interested in. Several engineering applications have been included. This helps in stressing that very different phenomena are described by transport theory and obey the same underlying fundamental laws of engineering thermodynamics. Detailed tutorials are reported, based on open-source codes for the laboratories (Gromacs, Palabos, OpenFoam and Cantera).

Multiphysics and Multiscale Modeling

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Publisher : CRC Press
ISBN 13 : 1498782523
Total Pages : 442 pages
Book Rating : 4.4/5 (987 download)

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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

Multiscale Materials Modeling

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Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110412519
Total Pages : 409 pages
Book Rating : 4.1/5 (14 download)

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Book Synopsis Multiscale Materials Modeling by : Siegfried Schmauder

Download or read book Multiscale Materials Modeling written by Siegfried Schmauder and published by Walter de Gruyter GmbH & Co KG. This book was released on 2016-08-22 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling. Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide・zinc oxide interaction

Multiscale Modeling and Analysis for Materials Simulation

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Author :
Publisher : World Scientific
ISBN 13 : 9814360899
Total Pages : 285 pages
Book Rating : 4.8/5 (143 download)

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Book Synopsis Multiscale Modeling and Analysis for Materials Simulation by : Weizhu Bao

Download or read book Multiscale Modeling and Analysis for Materials Simulation written by Weizhu Bao and published by World Scientific. This book was released on 2012 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on "Mathematical Theory and Numerical Methods for Computational Materials Simulation and Design" 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.

Computational Multiscale Modeling of Fluids and Solids

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Publisher : Springer Science & Business Media
ISBN 13 : 3540751165
Total Pages : 863 pages
Book Rating : 4.5/5 (47 download)

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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.

Multiscale Simulation Methods for Nanomaterials

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Publisher : John Wiley & Sons
ISBN 13 : 047019166X
Total Pages : 300 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Multiscale Simulation Methods for Nanomaterials by : Richard B. Ross

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.

Principles of Multiscale Modeling

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Author :
Publisher : Cambridge University Press
ISBN 13 : 1107096545
Total Pages : 485 pages
Book Rating : 4.1/5 (7 download)

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Book Synopsis Principles of Multiscale Modeling by : Weinan E

Download or read book Principles of Multiscale Modeling written by Weinan E and published by Cambridge University Press. This book was released on 2011-07-07 with total page 485 pages. Available in PDF, EPUB and Kindle. Book excerpt: A systematic discussion of the fundamental principles, written by a leading contributor to the field.

Multiscale Phenomena And Their Simulation - Proceedings Of The International Conference

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Author :
Publisher : World Scientific
ISBN 13 : 9814546291
Total Pages : 312 pages
Book Rating : 4.8/5 (145 download)

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Book Synopsis Multiscale Phenomena And Their Simulation - Proceedings Of The International Conference by : Frithjof Karsch

Download or read book Multiscale Phenomena And Their Simulation - Proceedings Of The International Conference written by Frithjof Karsch and published by World Scientific. This book was released on 1997-06-19 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale Phenomena play an essential role in the dynamics of many complex systems. Owing to their inherent nonlinearity and the involvement of many different length scales, these systems are often only be studied through numerical simulations. The book focused on common structures and problems in fluid dynamics, particle physics and macromolecule simulations. An important aspect of the discussions was the development of simulation techniques for massively parallel computers and recent advances in the construction of special purpose parallel computers.