Computational Multiscale Modeling Of Multiphase Nanosystems

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.

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.

This book is devoted to a description of the modeling of nanosystems and a detailed exposition of the application of molecular dynamics methods to problems from various fields of technology: material science, the formation of composite molecular complexes, and transport of nanosystems. The research results of the modeling of various nanosystems are presented: soft supramolecular nanostructures, nanosized beams of single-crystal Cu, metallic nanosized crystals, drug delivery systems, and systems stabilized by hydrogen bonds. The information from this book will be useful for engineers, technologists, researchers, and postgraduate students interested in the study of the whole complex of computer simulation based on the concept of molecular dynamics methods for the task of designing and producing nanomaterials with controlled properties.

This book provides a compilation of innovative fabrication strategies and utilization methodologies that are frequently adopted in the advanced composite materials community. It addresses developing appropriate composites to efficiently utilize macro- and nanoscale features. It covers a selection of key aspects of composite materials, including history, reinforcements, matrix materials, mechanical properties, physical properties, theory, and applications. The volume reviews the research developments of a number of widely studied composite materials with different matrices. Key features of this book: Contains new coverage of nanocomposites Reflects the latest theoretical and engineering and industrial applications of composite materials Provides design methods with numerical information and technical formulations needed for researchers Presents a critical review of progress in research and development on composite materials Offers comments on future research direction and ideas for product development

This book focuses on original theories and approaches in the field of mechanics. It reports on both theoretical and applied researches, with a special emphasis on problems and solutions at the interfaces of mechanics and other research areas. The respective chapters highlight cutting-edge works fostering development in fields such as micro- and nanomechanics, material science, physics of solid states, molecular physics, astrophysics, and many others. Special attention has been given to outstanding research conducted by young scientists from all over the world. This book is based on the 48th edition of the international conference “Advanced Problems in Mechanics”, which was held in 2020, in St. Petersburg, Russia, and co-organized by The Peter the Great St. Petersburg Polytechnic University and the Institute for Problems in Mechanical Engineering of the Russian Academy of Sciences, under the patronage of the Russian Academy of Sciences. It provides researchers and graduate students with an extensive overview of the latest research and a source of inspiration for future developments and collaborations in mechanics and related fields.

This volume focuses on the development and application of fundamental concepts in mechanics and physics of solids as they pertain to the solution of challenging new problems in diverse areas, such as materials science and micro- and nanotechnology. In this volume, emphasis is placed on the development of fundamental concepts of mechanics and novel applications of these concepts based on theoretical, experimental, or computational approaches, drawing upon the various branches of engineering science and the allied areas within applied mathematics, materials science, and applied physics. Materials Physics and Chemistry: Applied Mathematics and Chemo-Mechanical Analysis emphasizes the basics, such as design, equilibrium, material behavior, and geometry of deformation in simple structures or machines. Readers will find a thorough treatment of stress, strain, and the stress-strain relationships. Meanwhile it provides a solid foundation upon which readers can begin work in composite materials science and engineering. Many chapters include theory components with the equations students need to calculate different properties.

This new book focuses on nanomaterial development as well as investigations of combustion and explosion processes. It presents valuable information on the modeling of processes and on quantum chemical calculations and leading-edge research from around the world in this dynamic field, focusing on concepts above formal experimental techniques and theoretical methods of chemical physics for micro- and nanotechnologies. Also presented are non-linear kinetic appearances and their possible applications.

This book, Nanostructured Semiconductors in Porous Alumina Matrices: Modeling, Synthesis, and Properties, explores new developments in the modeling, synthesis, and properties of functional semiconductor nanostructures in porous anodic alumina matrices. The book focuses on luminescent nanoparticles in organic and inorganic dielectric matrixes, specifically in porous alumina films, as these are most relevant due to their capacity for particle division and ability to provide environmental protection. With a particular emphasis on experimental and theoretical studies of the synthesis processes, the book informs readers about these nanostructures through rigorous investigation of their properties. The book, which is divided into ten chapters, begins with a discussion of the existing literature on nanostructural electroluminescent light sources (ELS). This overview establishes a foundation for the remaining nine chapters, which explore in depth many facets of nanostructured materials: their composition, processes they undergo, how they may be implemented, etc. Within these chapters, experimental studies and results are incorporated, in addition to detailed descriptions of simulations that highlight different uses of these materials.