Download or read book Application and Analysis of Dissipative Particle Dynamics written by Jonathan Brian Gibson and published by . This book was released on 1998 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Particles in Flows written by Tomáš Bodnár and published by Birkhäuser. This book was released on 2017-09-30 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to face particles in flows from many different, but essentially interconnected sides and points of view. Thus the selection of authors and topics represented in the chapters, ranges from deep mathematical analysis of the associated models, through the techniques of their numerical solution, towards real applications and physical implications. The scope and structure of the book as well as the selection of authors was motivated by the very successful summer course and workshop "Particles in Flows'' that was held in Prague in the August of 2014. This meeting revealed the need for a book dealing with this specific and challenging multidisciplinary subject, i.e. particles in industrial, environmental and biomedical flows and the combination of fluid mechanics, solid body mechanics with various aspects of specific applications.
Download or read book Parallelization of a Dissipative Particle Dynamics Application in a Partitioned Global Address Space Environment written by Karthik Raj Saanthalingam and published by . This book was released on 2012 with total page 46 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Molecular dynamics simulation provides the methodology for detailed microscopic modeling on the molecular scale. The nature of matter is to be found in the structure and motion of its constituent building blocks, and the dynamics is contained in the solution to the N-body problem. Given that the classical N-body problem lacks a general analytical solution, the only path open is the numerical one. Scientists engaged in studying matter at this level require computational tools to allow them to follow the movement of individual molecules and it is this need that the molecular dynamics approach aims to fulfill. The Molecular Dynamics method follows a constructive approach by trying to reproduce the microscopic behavior of matter using model systems rather than deduce the behavior directly from experiment. Dissipative particle dynamics (DPD) is a stochastic simulation method for soft materials and has been applied to a variety of simulations. Doubts about its adequacy due to upper coarse-graining limitations, which could prevent the method from being applicable to the whole mesoscopic range has led to the proposal for a modified coarse-grained level tunable DPD method that demonstrates its performance for linear polymeric systems. The proposed method models the system through the interaction between the particles as a result of interparticle forces. The calculation region size is non-trivial and can vary depending on the simulation strategy adopted and hence greatly affects the performance of the application. Simulations of very large systems, approaching a cubic micron for milliseconds, are possible using a parallel implementation of DPD running on multiple processors. Because of the short-range nature of forces in DPD an efficient way to parallelize the application is to adopt a special decomposition technique. In this scheme, the total simulation space is divided into a number of cuboidal regions which are distributed across the processes in the cluster. Each processor is responsible for integrating the equations of motion of all particles that lie within its region of space. Only particles lying near the boundaries of each processor's space require communication between processors. In order to ensure that the simulation is efficient, the crucial requirement is that the number of particle-particle interactions that require inter-processor communication be much smaller than the number of particle-particle interactions within the bulk of each processor's region of space. In this thesis we outline the various alternatives to increase the per-node utilization and reduce the communication bottlenecks in each time step of the computation so as to achieve a near uniform distribution of work among the processes. A partitioned global address space (PGAS) model is deployed in the parallelization strategy so that the system can be logically portioned among the processors. The novelty of PGAS is that the portions of the shared memory space may have an affinity for a particular thread, thereby exploiting locality of reference and thereby reducing the communication overhead.
Download or read book Dissipative Solitons in Reaction Diffusion Systems written by Andreas Liehr and published by Springer Science & Business Media. This book was released on 2013-03-27 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt: Why writing a book about a specialized task of the large topic of complex systems? And who will read it? The answer is simple: The fascination for a didactically valuable point of view, the elegance of a closed concept and the lack of a comprehensive disquisition. The fascinating part is that field equations can have localized solutions exhibiting the typical characteristics of particles. Regarding the field equations this book focuses on, the field phenomenon of localized solutions can be described in the context of a particle formalism, which leads to a set of ordinary differential equations covering the time evolution of the position and the velocity of each particle. Moreover, starting from these particle dynamics and making the transition to many body systems, one considers typical phenomena of many body systems as shock waves and phase transitions, which themselves can be described as field phenomena. Such transitions between different level of modelling are well known from conservative systems, where localized solutions of quantum field theory lead to the mechanisms of elementary particle interaction and from this to field equations describing the properties of matter. However, in dissipative systems such transitions have not been considered yet, which is adjusted by the presented book. The elegance of a closed concept starts with the observation of self-organized current filaments in a semiconductor gas discharge system. These filaments move on random paths and exhibit certain particle features like scattering or the formation of bound states. Neither the reasons for the propagation of the filaments nor the laws of the interaction between the filaments can be registered by direct observations. Therefore a model is established, which is phenomenological in the first instance due to the complexity of the experimental system. This model allows to understand the existence of localized structures, their mechanisms of movement, and their interaction, at least, on a qualitative level. But this model is also the starting point for developing a data analysis method that enables the detection of movement and interaction mechanisms of the investigated localized solutions. The topic is rounded of by applying the data analysis to real experimental data and comparing the experimental observations to the predictions of the model. A comprehensive publication covering the interesting topic of localized solutions in reaction diffusion systems in its width and its relation to the well known phenomena of spirals and patterns does not yet exist, and this is the third reason for writing this book. Although the book focuses on a specific experimental system the model equations are as simple as possible so that the discussed methods should be adaptable to a large class of systems showing particle-like structures. Therefore, this book should attract not only the experienced scientist, who is interested in self-organization phenomena, but also the student, who would like to understand the investigation of a complex system on the basis of a continuous description.
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: Transition path sampling and diffusive barrier crossing to simulaterare events Dissipative particle dynamic as a course-grained simulation technique Novel schemes to compute the long-ranged forces Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations Multiple-time step algorithms as an alternative for constraints Defects in solids The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Download or read book A Treatise on the Analytical Dynamics of Particles and Rigid Bodies written by Edmund Taylor Whittaker and published by . This book was released on 1904 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Bionanomaterials written by Stefano Piotto and published by Springer. This book was released on 2017-07-24 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reports on multidisciplinary research focusing on the analysis, synthesis and design of bionanomaterials. It merges the biophysicists’, the biochemists’ and bioengineers’ perspectives, covering the study of the basic properties of materials and their interaction with biological systems, the development of new devices for medical purposes such as implantable systems, and new algorithms and methods for modeling the mechanical, physical or biological properties of biomaterials. The different chapters, which are based on selected contributions presented at the second edition of BIONAM, held on October 4-7, 2016, in Salerno, Italy, cover both basic and applied research. This includes novel synthetic strategies for nanomaterials, as well as the implementation of bio- and smart materials for pharmacological and medical purposes (e.g. drug delivery, implantable systems), environmental applications, and many others. The book provides a broad audience of academic and professionals with a comprehensive, timely snapshot of the field of biomaterials. Besides offering a set of innovative theories together with the necessary practical tools for their implementation, it also highlights current challenges in the field, thus fostering new discussions and possible future collaborations between groups with different backgrounds.
Download or read book Direct and Large Eddy Simulation XII written by Manuel García-Villalba and published by Springer Nature. This book was released on 2020-05-09 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gathers the proceedings of the 12th instalment in the bi-annual Workshop series on Direct and Large Eddy Simulation (DLES), which began in 1994 and focuses on modern techniques used to simulate turbulent flows based on the partial or full resolution of the instantaneous turbulent flow structure. With the rapidly expanding capacities of modern computers, this approach has attracted more and more interest over the years and will undoubtedly be further enhanced and applied in the future. Hybrid modelling techniques based on a combination of LES and RANS approaches also fall into this category and are covered as well. The goal of the Workshop was to share the state of the art in DNS, LES and related techniques for the computation and modelling of turbulent and transitional flows. The respective papers highlight the latest advances in the prediction, understanding and control of turbulent flows in academic and industrial applications.
Download or read book Dissipative Particle Dynamics written by Alexander V. Neimark and published by Academic Press. This book was released on 2025-04-01 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dissipative particle dynamics (DPD): Fundamentals and Applications in Colloid and Interface Science is one of the most efficient mesoscale simulation methodologies for studying soft matter systems. Applied to nanostructured materials of supramolecular architecture, DPD bridges the gap between the microscopic atomistic and macroscopic continuum length and time scales.?The book comprehensively presents the fundamentals of DPD?theoretical formulations and computational strategies and provides a practical guidance for applications of DPD models to various colloidal and interfacial phenomena involving phase separations, self-assembly and transport in complex fluids, polymeric, surfactant, nanoparticle, and biological systems. In addition, the book contains instructive advice on efficient implementation of the DPD models in open-source computational packages. Since introduction of the principles of DPD methodology thirty years ago, multiple efforts have been performed to improve the computational basis of DPD and to devise advanced versions and modifications of the original DPD framework. The progress in parametrization techniques that can reproduce engineering properties of experimental systems attracted a lot of interest from the industrial community longing to use DPD models to characterize, help design and optimize the practical products. While there are numerous research papers, there is no book dedicated to the dissipative particle dynamics that provides a critical review of various DPD formulations, serves as a comprehensive reference source of multifaceted interdisciplinary applications, and provides a practical guidance for efficient computational implementation.
Download or read book Smooth Particle Applied Mechanics The State Of The Art written by William Graham Hoover and published by World Scientific. This book was released on 2006-11-02 with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book takes readers through all the steps necessary for solving hard problems in continuum mechanics with smooth particle methods. Pedagogical problems clarify the generation of initial conditions, the treatment of boundary conditions, the integration of the equations of motion, and the analysis of the results. Particular attention is paid to the parallel computing necessary for large problems and to the graphic displays, including debugging software, required for the efficient completion of computational projects.The book is self-contained, with summaries of classical particle mechanics and continuum mechanics for both fluids and solids, computer languages, the stability of numerical methods, Lyapunov spectra, and message-passing parallel computing. The main difficulties faced by meshless particle methods are discussed and the means of overcoming them are illustrated with worked examples.
Download or read book Molecular Hydrodynamics written by Jean Pierre Boon and published by Courier Corporation. This book was released on 1991-01-01 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. "Quite well organized . . . the literature coverage is impressive." — Physics Today. 110 illustrations.
Download or read book Analytical Methods in Petroleum Upstream Applications written by Cesar Ovalles and published by CRC Press. This book was released on 2015-02-12 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: Effective measurement of the composition and properties of petroleum is essential for its exploration, production, and refining; however, new technologies and methodologies are not adequately documented in much of the current literature. Analytical Methods in Petroleum Upstream Applications explores advances in the analytical methods and instrument
Download or read book Molecular Dynamics written by Ben Leimkuhler and published by Springer. This book was released on 2015-05-18 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping, and the dissipative particle dynamics method.
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 --
Download or read book Understanding Viscoelasticity written by Nhan Phan-Thien and published by . This book was released on 2017 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Applying Molecular and Materials Modeling written by Phillip R. Westmoreland and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.
Download or read book Microemulsion Systems written by Henri L. Rosano and published by CRC Press. This book was released on 1987-03-27 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt:
