Non Equilibrium Molecular Dynamics Simulation Of Couette Flow In Nano Scale
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Author | : Tuan Anh Ho |
Publisher | : Springer |
Total Pages | : 95 |
Release | : 2016-09-29 |
Genre | : Science |
ISBN | : 3319470035 |
This thesis demonstrates how molecular modeling techniques can be used to gain significant insights into numerous applications that are increasingly attracting research interest because of their societal importance. It presents innovative ideas that, by altering the fundamental physical phenomena occurring at the solid/liquid interface, allow the fluid transport in nanochannels to be manipulated so as to improve the performance of the practical applications. The applications explicitly considered in this thesis are the design of drag-reducing and self-cleaning surfaces; water desalination; and shale gas exploration – all of which are, to some extent, governed by nanoscale fluid transport. Overall, this thesis is useful for students and researchers entering the field who wish to understand how molecular modeling can improve the performance in a wide range of applications.
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 | : Michele Ciofalo |
Publisher | : Computational Mechanics |
Total Pages | : 366 |
Release | : 1999 |
Genre | : Science |
ISBN | : |
Intended as a review, rather than a detailed description of the theories involved, this title provides a general introduction together with appropriate references. Topics covered include: Nanotechnology; The Ultrastructural and Functional Basis of Nanoscale Transport Phenomena in Physiology; Transport of Macromolecules Across the Arterial Wall and its Relevance to Atherogenesis, and Other Issues in Blood-Wall Interaction; Transport Phenomena in the Cell; and Computational Methods for Nanoscale Fluid Flow Problems. Over 2,000 references are included.
Author | : Marco Paggi |
Publisher | : Springer |
Total Pages | : 335 |
Release | : 2019-06-26 |
Genre | : Technology & Engineering |
ISBN | : 3030203778 |
This book conveys, in a self-contained manner, the fundamental concepts for classifying types of contact, the essential mathematical methods for the formulation of contact problems, and the numerical methods required for their solution. In addition to the methodologies, it covers a broad range of applications, including contact problems in mechanical engineering, microelectronics and nanomechanics. All chapters provide both substantial background on the theory and numerical methods, and in-depth treatments of cutting-edge research topics and applications. The book is primarily intended for doctoral students of applied mathematics, mechanics, engineering and physics with a strong interest in the theoretical modelling, numerical simulation and experimental characterization of contact problems in technology. It will also benefit researchers in the above mentioned and neighbouring fields working in academia or at private research and development centres who are interested in a concise yet comprehensive overview of contact mechanics, from its fundamental mathematical background, to the computational methods and the experimental techniques currently available for the solution of contact problems.
Author | : Traian Dumitrica |
Publisher | : Springer Science & Business Media |
Total Pages | : 628 |
Release | : 2010-03-14 |
Genre | : Technology & Engineering |
ISBN | : 1402097859 |
Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics. This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology.
Author | : Billy D. Todd |
Publisher | : Cambridge University Press |
Total Pages | : 371 |
Release | : 2017-03-10 |
Genre | : Technology & Engineering |
ISBN | : 1316982475 |
Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.
Author | : Yip-Wah Chung |
Publisher | : CRC Press |
Total Pages | : 222 |
Release | : 2011-10-19 |
Genre | : Technology & Engineering |
ISBN | : 1439839220 |
Drawn from presentations at a recent National Science Foundation Summer Institute on Nanomechanics, Nanomaterials, and Micro/Nanomanufacturing, Micro- and Nanoscale Phenomena in Tribology explores the convergence of the multiple science and engineering disciplines involved in tribology and the connection from the macro to nano world. Written by specialists from computation, materials science, mechanical engineering, surface physics, and chemistry, each chapter provides up-to-date coverage of both basic and advanced topics and includes extensive references for further study. After discussing the evolution of tribology in the micro and nano world, the book describes contact conditions spanning between macroscale and nanoscale contacts. It presents an overview of fundamental continuum treatments of interfacial contact and lubrication under a wide range of conditions, including novel advances in contact simulation. It also gives a thorough account of the nature of surface energies and forces in nanostructures as well as adhesion in dry and wet environments. The book then explains how to perform friction measurements at the nanoscale and interpret friction data before demonstrating how micro- and nanotextured surfaces affect adhesion, friction, and wetting. The final chapters emphasize the importance of surface chemistry and molecular dynamics simulation in tribology. With numerous examples and figures throughout, this volume presents a thorough account of important advancements in tribology that offer insight into micro- and nanoscale phenomena. By enabling a better understanding of fundamental micro- and nanoscale interactions, the book helps readers effectively design and fabricate durable tribological components for various engineering and biological systems.
Author | : Brian Straughan |
Publisher | : Springer |
Total Pages | : 318 |
Release | : 2015-07-08 |
Genre | : Mathematics |
ISBN | : 3319135309 |
This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.
Author | : |
Publisher | : |
Total Pages | : 768 |
Release | : 2006 |
Genre | : Science |
ISBN | : 9780791847602 |
Author | : Lichang Wang |
Publisher | : BoD – Books on Demand |
Total Pages | : 448 |
Release | : 2012-04-11 |
Genre | : Computers |
ISBN | : 9535104446 |
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines