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Author: Justin Haskins Publisher: ISBN: Category : Languages : en Pages :
Book Description
A first approach to engineering problems in nanosized systems requires a thorough understanding of how physical properties change as size decreases from the macroscale. One important class of properties that can be severely affected by such a downward size shift are transport properties - classical mass, momentum and energy transport. Using atomistic simulation techniques, primarily molecular dynamics, and statistical expressions for diffusion, viscosity, and thermal conductivity formulated in terms of atomistic properties, three case studies of transport in important, nanosized systems are investigated, including confined water systems, silicon-germanium nanos- tructures, and carbon nanostructures. In the first study of confined water systems, diffusion and viscosity are of primary interest, as recent experimental studies have shown notably increased rates of diffusion through nano-confined carbon nanotube structures. In this work, a full treatment of the transport properties is provided in both water clusters and water thin films, both having characteristic size scales under 11 nm. The diffusion, viscosity, and thermal conductivity in the nanosized systems are all shown to be significantly different from bulk water systems, with diffusion and thermal transport increasing and viscosity decreasing. For silicon-germanium nanostructures, the thermal transport properties are exclusively considered, with the problem of interest concerning the control of thermal transport through a strict control on the nanostructure. Quantum dot superlattices are shown to be effective structures for controlling the thermal transport properties, the available range of thermal conductivity using these structures being 0.1-160 W/mK. The final study concerns graphene nanostructures, which in terms of thermal transport have some of the highest thermal conductivities of any available materials. Control of thermal transport properties is again of primary importance, with various physical aspects - defects, shape, and size - being probed in graphene, graphene nano ribbons, carbon nanotubes, and fullerenes to determine their influence on transport; overall, these structures yield a large range of thermal transport, 10-2500 W/mK. The electronic version of this dissertation is accessible from http://hdl.handle.net/1969.1/149231
Author: Justin Haskins Publisher: ISBN: Category : Languages : en Pages :
Book Description
A first approach to engineering problems in nanosized systems requires a thorough understanding of how physical properties change as size decreases from the macroscale. One important class of properties that can be severely affected by such a downward size shift are transport properties - classical mass, momentum and energy transport. Using atomistic simulation techniques, primarily molecular dynamics, and statistical expressions for diffusion, viscosity, and thermal conductivity formulated in terms of atomistic properties, three case studies of transport in important, nanosized systems are investigated, including confined water systems, silicon-germanium nanos- tructures, and carbon nanostructures. In the first study of confined water systems, diffusion and viscosity are of primary interest, as recent experimental studies have shown notably increased rates of diffusion through nano-confined carbon nanotube structures. In this work, a full treatment of the transport properties is provided in both water clusters and water thin films, both having characteristic size scales under 11 nm. The diffusion, viscosity, and thermal conductivity in the nanosized systems are all shown to be significantly different from bulk water systems, with diffusion and thermal transport increasing and viscosity decreasing. For silicon-germanium nanostructures, the thermal transport properties are exclusively considered, with the problem of interest concerning the control of thermal transport through a strict control on the nanostructure. Quantum dot superlattices are shown to be effective structures for controlling the thermal transport properties, the available range of thermal conductivity using these structures being 0.1-160 W/mK. The final study concerns graphene nanostructures, which in terms of thermal transport have some of the highest thermal conductivities of any available materials. Control of thermal transport properties is again of primary importance, with various physical aspects - defects, shape, and size - being probed in graphene, graphene nano ribbons, carbon nanotubes, and fullerenes to determine their influence on transport; overall, these structures yield a large range of thermal transport, 10-2500 W/mK. The electronic version of this dissertation is accessible from http://hdl.handle.net/1969.1/149231
Author: Zhang Gang Publisher: CRC Press ISBN: 9814463035 Category : Science Languages : en Pages : 222
Book Description
Energy transport and conversion in nanoscale structures is a rapidly expanding area of science. It looks set to make a significant impact on human life and, with numerous commercial developments emerging, will become a major academic topic over the coming years. Owing to the difficulty in experimental measurement, computational simulation has becom
Author: Joao B. Sousa Publisher: William Andrew ISBN: 0323461247 Category : Science Languages : en Pages : 485
Book Description
Transport Phenomena in Micro- and Nanoscale Functional Materials and Devices offers a pragmatic view on transport phenomena for micro- and nanoscale materials and devices, both as a research tool and as a means to implant new functions in materials. Chapters emphasize transport properties (TP) as a research tool at the micro/nano level and give an experimental view on underlying techniques. The relevance of TP is highlighted through the interplay between a micro/nanocarrier's characteristics and media characteristics: long/short-range order and disorder excitations, couplings, and in energy conversions. Later sections contain case studies on the role of transport properties in functional nanomaterials. This includes transport in thin films and nanostructures, from nanogranular films, to graphene and 2D semiconductors and spintronics, and from read heads, MRAMs and sensors, to nano-oscillators and energy conversion, from figures of merit, micro-coolers and micro-heaters, to spincaloritronics. - Presents a pragmatic description of electrical transport phenomena in micro- and nanoscale materials and devices from an experimental viewpoint - Provides an in-depth overview of the experimental techniques available to measure transport phenomena in micro- and nanoscale materials - Features case studies to illustrate how each technique works - Highlights emerging areas of interest in micro- and nanomaterial transport phenomena, including spintronics
Author: Jihong Al-Ghalith Publisher: Springer ISBN: 3319738828 Category : Science Languages : en Pages : 88
Book Description
The book introduces modern atomistic techniques for predicting heat transfer in nanostructures, and discusses the applications of these techniques on three modern topics. The study of heat transport in screw-dislocated nanowires with low thermal conductivity in their bulk form represents the knowledge base needed for engineering thermal transport in advanced thermoelectric and electronic materials, and suggests a new route to lower thermal conductivity that could promote thermoelectricity. The study of high-temperature coating composite materials facilitates the understanding of the role played by composition and structural characterization, which is difficult to approach via experiments. And the understanding of the impact of deformations, such as bending and collapsing on thermal transport along carbon nanotubes, is important as carbon nanotubes, due to their exceptional thermal and mechanical properties, are excellent material candidates in a variety of applications, including thermal interface materials, thermal switches and composite materials.
Author: Hideaki Tsuchiya Publisher: John Wiley & Sons ISBN: 1118871723 Category : Technology & Engineering Languages : en Pages : 265
Book Description
A comprehensive advanced level examination of the transport theory of nanoscale devices Provides advanced level material of electron transport in nanoscale devices from basic principles of quantum mechanics through to advanced theory and various numerical techniques for electron transport Combines several up-to-date theoretical and numerical approaches in a unified manner, such as Wigner-Boltzmann equation, the recent progress of carrier transport research for nanoscale MOS transistors, and quantum correction approximations The authors approach the subject in a logical and systematic way, reflecting their extensive teaching and research backgrounds
Author: Yu Zhu Publisher: World Scientific ISBN: 9813141441 Category : Technology & Engineering Languages : en Pages : 436
Book Description
Computational nanoelectronics is an emerging multi-disciplinary field covering condensed matter physics, applied mathematics, computer science, and electronic engineering. In recent decades, a few state-of-the-art software packages have been developed to carry out first-principle atomistic device simulations. Nevertheless those packages are either black boxes (commercial codes) or accessible only to very limited users (private research codes). The purpose of this book is to open one of the commercial black boxes, and to demonstrate the complete procedure from theoretical derivation, to numerical implementation, all the way to device simulation. Meanwhile the affiliated source code constitutes an open platform for new researchers. This is the first book of its kind. We hope the book will make a modest contribution to the field of computational nanoelectronics.
Author: Jia Fu Publisher: BoD – Books on Demand ISBN: 1838802010 Category : Computers Languages : en Pages : 180
Book Description
Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
Author: Gang Chen Publisher: Oxford University Press ISBN: 9780199774685 Category : Science Languages : en Pages : 570
Book Description
This is a graduate level textbook in nanoscale heat transfer and energy conversion that can also be used as a reference for researchers in the developing field of nanoengineering. It provides a comprehensive overview of microscale heat transfer, focusing on thermal energy storage and transport. Chen broadens the readership by incorporating results from related disciplines, from the point of view of thermal energy storage and transport, and presents related topics on the transport of electrons, phonons, photons, and molecules. This book is part of the MIT-Pappalardo Series in Mechanical Engineering.
Author: Paul Desmarchelier Publisher: ISBN: Category : Languages : en Pages : 212
Book Description
At the nanoscale, thermal and vibrational properties are intimately linked and depend on the shape and composition of the material. Thanks to the nanostructuration, nanocomposites allow a better control of the heat transfer. This can be used to improve the performances of thermoelectric generators through a better insulation, but also to improve the heat management in microelectronics application. In this work, the thermal properties of some nanocomposites are studied using atomistic level simulations, thanks to molecular dynamics. In a first part, the focus is laid on nanocomposites composed of an amorphous matrix and crystalline nano-inclusions. The approach separating the propagative and diffusive contribution, developed for amorphous materials, is used. The ballistic contribution where the heat is propagated by plane waves is systematically impacted by the nanostructuration. Whereas affecting the diffusive contribution, that spreads the heat slowly at the nanoscale, is more challenging. This can be done, for instance, through pores or inclusions softer than the matrix but in variable proportions. A second part is dedicated to the study of silicon nanowires, and the impact of amorphization. For this, the transport of energy as a function of frequency in crystalline core amorphous shell nanowire is studied. An amorphous shell causes the apparition of diffusive transport and the decrease in transmission at low frequencies. Then, molecular dynamics are coupled to hydrodynamic heat equations to study the radial distribution of flux in those nanowires. This analysis suggests that the reduction of the thermal conductivity upon the addition of shell cannot be linked solely to modified interface properties, but are rather due to a global effect of the shell on the mean free path of heat carriers. Finally, it is shown that structuration of the amorphous layer in a conical shape can be used to obtain thermal rectification, that is, a spatial asymmetry in thermal transport. This rectification appears to be caused by the perturbation of transmission at low frequencies.
Author: Justin Haskins
Author: Justin Haskins
Author: Zhang Gang
Author: Joao B. Sousa
Author: Jihong Al-Ghalith
Author: Shenyu Kuang
Author: Hideaki Tsuchiya
Author: Yu Zhu
Author: Jia Fu
Author: Gang Chen
Author: Paul Desmarchelier