Author: Joseph W. Jerome
Publisher: Springer Science & Business Media
ISBN: 3642799876
Category : Mathematics
Languages : en
Pages : 177
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Book Description
This book addresses the mathematical aspects of semiconductor modeling, with particular attention focused on the drift-diffusion model. The aim is to provide a rigorous basis for those models which are actually employed in practice, and to analyze the approximation properties of discretization procedures. The book is intended for applied and computational mathematicians, and for mathematically literate engineers, who wish to gain an understanding of the mathematical framework that is pertinent to device modeling. The latter audience will welcome the introduction of hydrodynamic and energy transport models in Chap. 3. Solutions of the nonlinear steady-state systems are analyzed as the fixed points of a mapping T, or better, a family of such mappings, distinguished by system decoupling. Significant attention is paid to questions related to the mathematical properties of this mapping, termed the Gummel map. Compu tational aspects of this fixed point mapping for analysis of discretizations are discussed as well. We present a novel nonlinear approximation theory, termed the Kras nosel'skii operator calculus, which we develop in Chap. 6 as an appropriate extension of the Babuska-Aziz inf-sup linear saddle point theory. It is shown in Chap. 5 how this applies to the semiconductor model. We also present in Chap. 4 a thorough study of various realizations of the Gummel map, which includes non-uniformly elliptic systems and variational inequalities. In Chap.
Author: Zhigang Shuai
Publisher: Springer Science & Business Media
ISBN: 3642250769
Category : Science
Languages : en
Pages : 96
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Book Description
Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality. This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.
Author: Victor I. Klimov
Publisher: CRC Press
ISBN: 1420079271
Category : Technology & Engineering
Languages : en
Pages : 488
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Book Description
A review of recent advancements in colloidal nanocrystals and quantum-confined nanostructures, Nanocrystal Quantum Dots is the second edition of Semiconductor and Metal Nanocrystals: Synthesis and Electronic and Optical Properties, originally published in 2003. This new title reflects the book’s altered focus on semiconductor nanocrystals. Gathering contributions from leading researchers, this book contains new chapters on carrier multiplication (generation of multiexcitons by single photons), doping of semiconductor nanocrystals, and applications of nanocrystals in biology. Other updates include: New insights regarding the underlying mechanisms supporting colloidal nanocrystal growth A revised general overview of multiexciton phenomena, including spectral and dynamical signatures of multiexcitons in transient absorption and photoluminescence Analysis of nanocrystal-specific features of multiexciton recombination A review of the status of new field of carrier multiplication Expanded coverage of theory, covering the regime of high-charge densities New results on quantum dots of lead chalcogenides, with a focus studies of carrier multiplication and the latest results regarding Schottky junction solar cells Presents useful examples to illustrate applications of nanocrystals in biological labeling, imaging, and diagnostics The book also includes a review of recent progress made in biological applications of colloidal nanocrystals, as well as a comparative analysis of the advantages and limitations of techniques for preparing biocompatible quantum dots. The authors summarize the latest developments in the synthesis and understanding of magnetically doped semiconductor nanocrystals, and they present a detailed discussion of issues related to the synthesis, magneto-optics, and photoluminescence of doped colloidal nanocrystals as well. A valuable addition to the pantheon of literature in the field of nanoscience, this book presents pioneering research from experts whose work has led to the numerous advances of the past several years.
Author: Sidney Yip
Publisher: Springer Science & Business Media
ISBN: 1402032862
Category : Science
Languages : en
Pages : 2903
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Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.
Author: Yuji Mochizuki
Publisher: Springer Nature
ISBN: 9811592357
Category : Science
Languages : en
Pages : 606
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Book Description
This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.
Author: Jean-Pierre Farges
Publisher: CRC Press
ISBN: 1000723585
Category : Technology & Engineering
Languages : en
Pages : 874
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Book Description
This work examines all aspects of organic conductors, detailing recent theoretical concepts and current laboratory methods of synthesis, measurement, control and analysis. It describes advances in molecular-scale engineering, including switching and memory systems, Schottky and electroluminescent diodes, field-effect transistors, and photovoltaic devices and solar cells.
Author: Joel L. Plawsky
Publisher: CRC Press
ISBN: 1351624873
Category : Science
Languages : en
Pages : 863
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Book Description
The fourth edition of Transport Phenomena Fundamentals continues with its streamlined approach to the subject, based on a unified treatment of heat, mass, and momentum transport using a balance equation approach. The new edition includes more worked examples within each chapter and adds confidence-building problems at the end of each chapter. Some numerical solutions are included in an appendix for students to check their comprehension of key concepts. Additional resources online include exercises that can be practiced using a wide range of software programs available for simulating engineering problems, such as, COMSOL®, Maple®, Fluent, Aspen, Mathematica, Python and MATLAB®, lecture notes, and past exams. This edition incorporates a wider range of problems to expand the utility of the text beyond chemical engineering. The text is divided into two parts, which can be used for teaching a two-term course. Part I covers the balance equation in the context of diffusive transport—momentum, energy, mass, and charge. Each chapter adds a term to the balance equation, highlighting that term's effects on the physical behavior of the system and the underlying mathematical description. Chapters familiarize students with modeling and developing mathematical expressions based on the analysis of a control volume, the derivation of the governing differential equations, and the solution to those equations with appropriate boundary conditions. Part II builds on the diffusive transport balance equation by introducing convective transport terms, focusing on partial, rather than ordinary, differential equations. The text describes paring down the full, microscopic equations governing the phenomena to simplify the models and develop engineering solutions, and it introduces macroscopic versions of the balance equations for use where the microscopic approach is either too difficult to solve or would yield much more information that is actually required. The text discusses the momentum, Bernoulli, energy, and species continuity equations, including a brief description of how these equations are applied to heat exchangers, continuous contactors, and chemical reactors. The book introduces the three fundamental transport coefficients: the friction factor, the heat transfer coefficient, and the mass transfer coefficient in the context of boundary layer theory. Laminar flow situations are treated first followed by a discussion of turbulence. The final chapter covers the basics of radiative heat transfer, including concepts such as blackbodies, graybodies, radiation shields, and enclosures.
Author: Supriyo Datta
Publisher: Cambridge University Press
ISBN: 1139443240
Category : Technology & Engineering
Languages : en
Pages : 434
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Book Description
This book presents the conceptual framework underlying the atomistic theory of matter, emphasizing those aspects that relate to current flow. This includes some of the most advanced concepts of non-equilibrium quantum statistical mechanics. No prior acquaintance with quantum mechanics is assumed. Chapter 1 provides a description of quantum transport in elementary terms accessible to a beginner. The book then works its way from hydrogen to nanostructures, with extensive coverage of current flow. The final chapter summarizes the equations for quantum transport with illustrative examples showing how conductors evolve from the atomic to the ohmic regime as they get larger. Many numerical examples are used to provide concrete illustrations and the corresponding Matlab codes can be downloaded from the web. Videostreamed lectures, keyed to specific sections of the book, are also available through the web. This book is primarily aimed at senior and graduate students.
Author: Hans-Achim Wagenknecht
Publisher: John Wiley & Sons
ISBN: 3527606904
Category : Science
Languages : en
Pages : 245
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Book Description
The past few years have witnessed intense research in this fascinating field as well as many controversial discussions. Now the time is ripe for a comprehensive book covering not only theoretical aspects, but also such mechanistic topics as principles and mechanisms of photoinduced charge injection, transport and trapping in DNA, sequence-dependent DNA dynamics, spectroscopic investigations of hole transport and much more. From the contents: * Principles and Mechanisms of Photoinduced Charge Injection, Transport and Trapping in DNA * Sequence-Dependent DNA Dynamics: The Regulator of DNA-Mediated Charge Transport * Excess Electron Transfer in DNA Probed with Flavin and Thymine Dimer Modified Oligonucleotides * Dynamics of Photoinitiated Hole and Electron Injection in Duplex DNA * Spectroscopic Investigation of Oxidative Hole Transfer via Adenine Hopping in DNA * Chemical Probing of Reductive Electron Transfer in DNA * Chemical Approach for Modulating Hole Transport in DNA * Spectroscopic Investigation of Charge Transfer in DNA * Spectroscopic Probing of Ultrafast Structural Relaxation and Electron Transfer Dynamics in DNA Edited by Hans-Achim Wagenknecht, and written by renowned international authors, this book provides an excellent overview with high quality contributions, making it a "must-have" for everyone working in the field.
Author: Ansgar Jüngel
Publisher: Springer Science & Business Media
ISBN: 3540895256
Category : Science
Languages : en
Pages : 326
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Book Description
This volume presents a systematic and mathematically accurate description and derivation of transport equations in solid state physics, in particular semiconductor devices.
