Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems PDF Download
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Author: Thomas S. Gates
Publisher:
ISBN:
Category : Composite materials
Languages : en
Pages : 24
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Book Description
Author: Thomas S. Gates
Publisher:
ISBN:
Category : Composite materials
Languages : en
Pages : 24
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Book Description
Author: Snehanshu Pal
Publisher: CRC Press
ISBN: 0429672454
Category : Mathematics
Languages : en
Pages : 334
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Book Description
Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.
Author: National Aeronautics and Space Administration (NASA)
Publisher: Createspace Independent Publishing Platform
ISBN: 9781721569106
Category :
Languages : en
Pages : 34
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Book Description
The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives. Gates, Thomas S. and Hinkley, Jeffrey A. Langley Research Center NASA/TM-2003-212163, L-18267, NAS 1.15:212163
Author: Panagiotis Grammatikopoulos
Publisher: Elsevier
ISBN: 0128214988
Category : Technology & Engineering
Languages : en
Pages : 246
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Book Description
Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method's relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. - Explores the major modelling techniques used for different classes of nanomaterial - Assesses the best modelling technique to use for each different type of nanomaterials - Discusses the challenges of using certain modelling techniques with specific nanomaterials
Author: A.M. Ovrutsky
Publisher: Elsevier
ISBN: 0124202071
Category : Computers
Languages : en
Pages : 389
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Book Description
Computational Materials Science provides the theoretical basis necessary for understanding atomic surface phenomena and processes of phase transitions, especially crystallization, is given. The most important information concerning computer simulation by different methods and simulation techniques for modeling of physical systems is also presented. A number of results are discussed regarding modern studies of surface processes during crystallization. There is sufficiently full information on experiments, theory, and simulations concerning the surface roughening transition, kinetic roughening, nucleation kinetics, stability of crystal shapes, thin film formation, imperfect structure of small crystals, size dependent growth velocity, distribution coefficient at growth from alloy melts, superstructure ordering in the intermetallic compound. Computational experiments described in the last chapter allow visualization of the course of many processes and better understanding of many key problems in Materials Science. There is a set of practical steps concerning computational procedures presented. Open access to executable files in the book make it possible for everyone to understand better phenomena and processes described in the book. - Valuable reference book, but also helpful as a supplement to courses - Computer programs available to supplement examples - Presents several new methods of computational materials science and clearly summarizes previous methods and results
Author: Anil K. Sharma
Publisher: CRC Press
ISBN: 135179244X
Category : Medical
Languages : en
Pages : 328
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Book Description
This new volume focuses on the ever-growing and ever-sophisticated use of nanobiomaterials in drug delivery. There have been significant developments in the delivery of the active pharmaceutical ingredients to target sites, thereby sparing the normal functioning biological systems from damage, and this volume highlights some of the most important developments in the field. The book first provides an overview of nanobiomaterials and then goes on to report on new developments in drug delivery and nanotechnology, nanobiomaterials as carriers in cancer therapy, and the diverse uses of nanobiomaterials. Broken into sections, the chapters cover: an overview of nanobiomaterials drug delivery and nanotechnology nanobiomaterials as carriers in cancer therapeutics diverse uses of nanobiomaterials This volume will be a valuable resource on drug delivery for pharmaceutical manufacturers, healthcare personnel, and researchers.
Author: Sarhan M. Musa
Publisher: CRC Press
ISBN: 1351833456
Category : Science
Languages : en
Pages : 540
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Book Description
Applications of nanotechnology continue to fuel significant innovations in areas ranging from electronics, microcomputing, and biotechnology to medicine, consumer supplies, aerospace, and energy production. As progress in nanoscale science and engineering leads to the continued development of advanced materials and new devices, improved methods of modeling and simulation are required to achieve a more robust quantitative understanding of matter at the nanoscale. Computational Nanotechnology: Modeling and Applications with MATLAB® provides expert insights into current and emerging methods, opportunities, and challenges associated with the computational techniques involved in nanoscale research. Written by, and for, those working in the interdisciplinary fields that comprise nanotechnology—including engineering, physics, chemistry, biology, and medicine—this book covers a broad spectrum of technical information, research ideas, and practical knowledge. It presents an introduction to computational methods in nanotechnology, including a closer look at the theory and modeling of two important nanoscale systems: molecular magnets and semiconductor quantum dots. Topics covered include: Modeling of nanoparticles and complex nano and MEMS systems Theory associated with micromagnetics Surface modeling of thin films Computational techniques used to validate hypotheses that may not be accessible through traditional experimentation Simulation methods for various nanotubes and modeling of carbon nanotube and silicon nanowire transistors In regard to applications of computational nanotechnology in biology, contributors describe tracking of nanoscale structures in cells, effects of various forces on cellular behavior, and use of protein-coated gold nanoparticles to better understand protein-associated nanomaterials. Emphasizing the importance of MATLAB for biological simulations in nanomedicine, this wide-ranging survey of computational nanotechnology concludes by discussing future directions in the field, highlighting the importance of the algorithms, modeling software, and computational tools in the development of efficient nanoscale systems.
Author: Sinisa Mesarovic
Publisher: Springer
ISBN: 3319941860
Category : Science
Languages : en
Pages : 348
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Book Description
The book helps to answer the following questions: How far have the understanding and mesoscale modeling advanced in recent decades, what are the key open questions that require further research and what are the mathematical and physical requirements for a mesoscale model intended to provide either insight or a predictive engineering tool? It is addressed to young researchers including doctoral students, postdocs and early career faculty,
Author: Isaac Elishakoff
Publisher: John Wiley & Sons
ISBN: 1118565886
Category : Technology & Engineering
Languages : en
Pages : 308
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Book Description
The main properties that make carbon nanotubes (CNTs) a promising technology for many future applications are: extremely high strength, low mass density, linear elastic behavior, almost perfect geometrical structure, and nanometer scale structure. Also, CNTs can conduct electricity better than copper and transmit heat better than diamonds. Therefore, they are bound to find a wide, and possibly revolutionary use in all fields of engineering. The interest in CNTs and their potential use in a wide range of commercial applications; such as nanoelectronics, quantum wire interconnects, field emission devices, composites, chemical sensors, biosensors, detectors, etc.; have rapidly increased in the last two decades. However, the performance of any CNT-based nanostructure is dependent on the mechanical properties of constituent CNTs. Therefore, it is crucial to know the mechanical behavior of individual CNTs such as their vibration frequencies, buckling loads, and deformations under different loadings. This title is dedicated to the vibration, buckling and impact behavior of CNTs, along with theory for carbon nanosensors, like the Bubnov-Galerkin and the Petrov-Galerkin methods, the Bresse-Timoshenko and the Donnell shell theory.
Author: Frank Abdi
Publisher: CRC Press
ISBN: 1315341247
Category : Science
Languages : en
Pages : 317
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Book Description
These days, advanced multiscale hybrid materials are being produced in the industry, studied by universities, and used in several applications. Unlike for macromaterials, it is difficult to obtain the physical, mechanical, electrical, and thermal properties of nanomaterials because of the scale. Designers, however, must have knowledge of these properties to perform any finite element analysis or durability and damage tolerance analysis. This is the book that brings this knowledge within easy reach. What makes the book unique is the fact that its approach that combines multiscale multiphysics and statistical analysis with multiscale progressive failure analysis. The combination gives a very powerful tool for minimizing tests, improving accuracy, and understanding the effect of the statistical nature of materials, in addition to the mechanics of advanced multiscale materials, all the way to failure. The book focuses on obtaining valid mechanical properties of nanocomposite materials by accurate prediction and observed physical tests, as well as by evaluation of test anomalies of advanced multiscale nanocomposites containing nanoparticles of different shapes, such as chopped fiber, spherical, and platelet, in polymeric, ceramic, and metallic materials. The prediction capability covers delamination, fracture toughness, impact resistance, conductivity, and fire resistance of nanocomposites. The methodology employs a high-fidelity procedure backed with comparison of predictions with test data for various types of static, fatigue, dynamic, and crack growth problems. Using the proposed approach, a good correlation between the simulation and experimental data is established.
