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| Author | : Billy D. Todd |
| Publisher | : Cambridge University Press |
| Total Pages | : 371 |
| Release | : 2017-03-10 |
| Genre | : Science |
| ISBN | : 0521190096 |
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
| Author | : Michael King |
| Publisher | : John Wiley & Sons |
| Total Pages | : 398 |
| Release | : 2010-03-30 |
| Genre | : Science |
| ISBN | : 047057982X |
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.
| Author | : Moubin E. T. Al LIU |
| Publisher | : World Scientific |
| Total Pages | : 400 |
| Release | : 2015-12-28 |
| Genre | : Science |
| ISBN | : 9814571709 |
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 --
| Author | : Gui-Rong Liu |
| Publisher | : World Scientific |
| Total Pages | : 473 |
| Release | : 2003 |
| Genre | : Technology & Engineering |
| ISBN | : 9812384561 |
This is the first-ever book on smoothed particle hydrodynamics (SPH) and its variations, covering the theoretical background, numerical techniques, code implementation issues, and many novel and interesting applications. It contains many appealing and practical examples, including free surface flows, high explosive detonation and explosion, underwater explosion and water mitigation of explosive shocks, high velocity impact and penetration, and multiple scale simulations coupled with the molecular dynamics method. An SPH source code is provided and coupling of SPH and molecular dynamics is discussed for multiscale simulation, making this a friendly book for readers and SPH users.
| Author | : Jinghai Li |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 497 |
| Release | : 2013-03-22 |
| Genre | : Technology & Engineering |
| ISBN | : 3642351891 |
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.
| Author | : Perla Balbuena |
| Publisher | : Elsevier |
| Total Pages | : 971 |
| Release | : 1999-04-22 |
| Genre | : Science |
| ISBN | : 0080536840 |
The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
| Author | : Ilya Chorny |
| Publisher | : |
| Total Pages | : 310 |
| Release | : 2003 |
| Genre | : Chemical processes |
| ISBN | : |
| Author | : Mark F. Horstemeyer |
| Publisher | : John Wiley & Sons |
| Total Pages | : 474 |
| Release | : 2012-06-07 |
| Genre | : Technology & Engineering |
| ISBN | : 1118342658 |
State-of-the-technology tools for designing, optimizing, and manufacturing new materials Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products. Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with easy-to-follow explanations and examples. Following an introductory chapter exploring the core concepts and the various disciplines that have contributed to the development of ICME, the text covers the following important topics with their associated length scale bridging methodologies: Macroscale continuum internal state variable plasticity and damage theory and multistage fatigue Mesoscale analysis: continuum theory methods with discrete features and methods Discrete dislocation dynamics simulations Atomistic modeling methods Electronics structures calculations Next, the author provides three chapters dedicated to detailed case studies, including "From Atoms to Autos: A Redesign of a Cadillac Control Arm," that show how the principles and methods of ICME work in practice. The final chapter examines the future of ICME, forecasting the development of new materials and engineering structures with the help of a cyberinfrastructure that has been recently established. Integrated Computational Materials Engineering (ICME) for Metals is recommended for both students and professionals in engineering and materials science, providing them with new state-of-the-technology tools for selecting, designing, optimizing, and manufacturing new materials. Instructors who adopt this text for coursework can take advantage of PowerPoint lecture notes, a questions and solutions manual, and tutorials to guide students through the models and codes discussed in the text.
| Author | : Michel Mareschal |
| Publisher | : Springer Science & Business Media |
| Total Pages | : 368 |
| Release | : 2012-12-06 |
| Genre | : Science |
| ISBN | : 1468413392 |
This volume contains the proceedings of a workshop which was held in Brussels during the month of August 1989. A strong motivation for organizing this workshop was to bring together people who have been involved in the microscopic simulation of phenomena occuring on "large" space and time scales. Indeed, results obtained in the last years by different groups tend to support the idea that macroscopic behavior already appears in systems small enough so as to be modelled by a collection of interacting particles on a (super) computer. Such an approach is certainly desirable to study situations where no satisfactory phenomenological theory is known to hold, or where solutions of the equations are too hard to obtain numerically. It is also interesting from a more fundamental point of view, namely the investigation of the limits of validity of the macroscopic description itself. The main technique used in bridging the gap between the macro and micro worlds has been the molecular dynamics simulations, that is the numerical solution of the equations of motion of the model particles which constitute the system under study, a gas, a liquid or even a solid. However, this technique is by no means the only one.
