Computational Multiscale Modeling of Multiphase Nanosystems

Theory and Applications

Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. Les mer
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Om boka

Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems.


The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.

Fakta

Innholdsfortegnelse

Physical and Mathematical Models for Nanosystems Simulation


The Problem Statement


Quantum-Chemical Methods of Modeling of Nanosystems


Molecular Dynamics Methods for Modeling of Nanosystems


Mesodynamics Methods for Modeling of Nanoparticle Interaction and Motion


Continuum Mechanics Method





Numerical Methods for Modeling of Nanosystems


Numerical Algorithms for the Solution of Quantum-Chemical Problems


Numerical Schemes of the Solution of the Molecular Dynamics Problems


Numerical Schemes for the Integration of the Mesodynamics Equations


Finite Element Algorithm of the Dispersion of Nanoparticles


Modelling of Nanocomposite Compaction by the Method of Finite Elements


Finite Element Algorithm for the Calculation of the Loading of Nanocomposites


The Program Codes for Multilevel Modeling





Numerical Simulation of Nanoparticle Formation


Formation of Nanoparticles During the Condensation in a Gaseous Phase


Probabilistic Laws of Distribution of Nanoparticle Structural Characteristics


The Formation of Multicomponent Nanoparticles Consisting of Molecules


Modelling Nanoparticle Dispersion


Modelling Nanoparticle Dispersion by the Molecular Dynamics Method





Numerical Simulation of Nanosystem Formation


Simulation of Nanoelements Interactions and Self-Assembling


Simulation of Electrodeposition of Metal Matrix Nanocomposite Coatings


Simulation of Formation of Superficial Nanoheterostructures


Simulation of Nanowhiskers Formation


Simulation of Quantum Dots Formation





Numerical Simulation of Nanosystem Properties


Calculation of Nanostreams Properties


Modelling of Absorption Properties of Carbon Nanocontainers for Gas Storage


Calculation of Nanoparticle Elasticity Properties


Calculation of Micro Cracks Properties with Nanoparticles

Om forfatteren

Alexander V. Vakhrushev, DSc, is a Professor at the M.T. Kalashnikov Izhevsk State Technical University in Izhevsk, Russia, where he teaches theory, calculating, and design of nano- and microsystems. He is also the Chief Researcher of the Department of Information-Measuring Systems at the Institute of Mechanics of the Ural Branch of the Russian Academy of Sciences, and Head of Department of Nanotechnology and Microsystems of Kalashnikov Izhevsk State Technical University. He is a Corresponding Member of the Russian Engineering Academy. He has over 400 publications to his name, including monographs, articles, reports, reviews, and patents. He has received several awards, including an Academician A. F. Sidorov Prize from the Ural Division of the Russian Academy of Sciences for significant contribution to the creation of the theoretical fundamentals of physical processes taking place in multi-level nanosystems and Honorable Scientist of the Udmurt Republic. He is currently a member of the editorial boards of journals Computational Continuum Mechanics, Chemical Physics and Mesoscopia and Nanobuild. His research interests include multiscale mathematical modeling of physical-chemical processes into the nano-hetero systems at nano-, micro-, and macro-levels, static and dynamic interaction of nanoelements, and basic laws relating the structure and macro characteristics of nano-hetero structures.