Molecular Modeling And Multiscaling Issues For Electronic Material Applications

Author : Artur Wymyslowski,Nancy Iwamoto,Matthew Yuen,Haibo Fan
Publisher : Springer
Page : 203 pages
File Size : 49,9 Mb
Release : 2014-11-20
Category : Technology & Engineering
ISBN : 9783319128627

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Molecular Modeling and Multiscaling Issues for Electronic Material Applications by Artur Wymyslowski,Nancy Iwamoto,Matthew Yuen,Haibo Fan Pdf

This book offers readers a snapshot of the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand materials to solve relevant issues in this field. The reader is introduced to the evolving role of molecular modeling, especially seen from the perspective of the IEEE community and modeling in electronics. This book also covers the aspects of molecular modeling needed to understand the relationship between structures and mechanical performance of materials. The authors also discuss the transitional topic of multiscale modeling and recent developments on the atomistic scale and current attempts to reach the submicron scale, as well as the role that quantum mechanics can play in performance prediction.

Author : Artur Wymyslowski,Nancy Iwamoto,Matthew Yuen,Haibo Fan
Publisher : Unknown
Page : 290 pages
File Size : 41,7 Mb
Release : 2014-12-14
Category : Technology & Engineering
ISBN : 3319110888

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Molecular Modeling and Multiscaling Issues for Electronic Material Applications 02 by Artur Wymyslowski,Nancy Iwamoto,Matthew Yuen,Haibo Fan Pdf

Author : Willem Dirk van Driel,Maryam Yazdan Mehr
Publisher : Springer Nature
Page : 552 pages
File Size : 44,6 Mb
Release : 2022-01-31
Category : Technology & Engineering
ISBN : 9783030815769

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Reliability of Organic Compounds in Microelectronics and Optoelectronics by Willem Dirk van Driel,Maryam Yazdan Mehr Pdf

This book aims to provide a comprehensive reference into the critical subject of failure and degradation in organic materials, used in optoelectronics and microelectronics systems and devices. Readers in different industrial sectors, including microelectronics, automotive, lighting, oil/gas, and petrochemical will benefit from this book. Several case studies and examples are discussed, which readers will find useful to assess and mitigate similar failure cases. More importantly, this book presents methodologies and useful approaches in analyzing a failure and in relating a failure to the reliability of materials and systems.

Author : James E. Morris
Publisher : Springer
Page : 996 pages
File Size : 40,8 Mb
Release : 2018-09-22
Category : Technology & Engineering
ISBN : 9783319903620

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Nanopackaging by James E. Morris Pdf

This book presents a comprehensive overview of nanoscale electronics and systems packaging, and covers nanoscale structures, nanoelectronics packaging, nanowire applications in packaging, and offers a roadmap for future trends. Composite materials are studied for high-k dielectrics, resistors and inductors, electrically conductive adhesives, conductive "inks," underfill fillers, and solder enhancement. The book is intended for industrial and academic researchers, industrial electronics packaging engineers who need to keep abreast of progress in their field, and others with interests in nanotechnology. It surveys the application of nanotechnologies to electronics packaging, as represented by current research across the field.

Author : Isao Tanaka,Nobuhiro Tsuji,Haruyuki Inui
Publisher : Springer Nature
Page : 278 pages
File Size : 42,9 Mb
Release : 2022
Category : Building materials
ISBN : 9789811677151

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The Plaston Concept by Isao Tanaka,Nobuhiro Tsuji,Haruyuki Inui Pdf

This open access book presents the novel concept of plaston, which accounts for the high ductility or large plastic deformation of emerging high-performance structural materials, including bulk nanostructured metals, hetero-nanostructured materials, metallic glasses, intermetallics, and ceramics. The book describes simulation results of the collective atomic motion associated with plaston, by computational tools such as first-principle methods with predictive performance and large-scale atom-dynamics calculations. Multi-scale analyses with state-of-the art analytical tools nano/micro pillar deformation and nano-indentation experiments are also described. Finally, through collaborative efforts of experimental and computational work, examples of rational design and development of new structural materials are given, based on accurate understanding of deformation and fracture phenomena. This publication provides a valuable contribution to the field of structural materials research.

Author : Phillip R. Westmoreland,Peter A. Kollman,Anne M. Chaka,Peter T. Cummings,Keiji Morokuma,Matthew Neurock,Ellen B. Stechel,Priya Vashishta
Publisher : Springer Science & Business Media
Page : 596 pages
File Size : 48,9 Mb
Release : 2013-04-17
Category : Science
ISBN : 9789401707657

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Applying Molecular and Materials Modeling by Phillip R. Westmoreland,Peter A. Kollman,Anne M. Chaka,Peter T. Cummings,Keiji Morokuma,Matthew Neurock,Ellen B. Stechel,Priya Vashishta Pdf

Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.

Author : Wenjie Xia,Luis Alberto Ruiz Pestana
Publisher : Elsevier
Page : 450 pages
File Size : 52,8 Mb
Release : 2022-11-26
Category : Technology & Engineering
ISBN : 9780128230534

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Fundamentals of Multiscale Modeling of Structural Materials by Wenjie Xia,Luis Alberto Ruiz Pestana Pdf

Fundamentals of Multiscale Modeling of Structural Materials provides a robust introduction to the computational tools, underlying theory, practical applications, and governing physical phenomena necessary to simulate and understand a wide-range of structural materials at multiple time and length scales. The book offers practical guidelines for modeling common structural materials with well-established techniques, outlining detailed modeling approaches for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, thin films, and more.Computational approaches based on artificial intelligence and machine learning methods as complementary tools to the physics-based multiscale techniques are discussed as are modeling techniques for additively manufactured structural materials. Special attention is paid to how these methods can be used to develop the next generation of sustainable, resilient and environmentally-friendly structural materials, with a specific emphasis on bridging the atomistic and continuum modeling scales for these materials. Synthesizes the latest cutting-edge computational multiscale modeling techniques for an array of structural materials Emphasizes the foundations of the field and offers practical guidelines for modeling material systems with well-established techniques Covers methods for calculating and analyzing mechanical, thermal and transport properties of various structural materials such as metals, cement/concrete, polymers, composites, wood, and more Highlights underlying theory, emerging areas, future directions and various applications of the modeling methods covered Discusses the integration of multiscale modeling and artificial intelligence

Author : Richard B. Ross,Sanat Mohanty
Publisher : John Wiley & Sons
Page : 300 pages
File Size : 44,5 Mb
Release : 2008-02-04
Category : Science
ISBN : 9780470191668

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Multiscale Simulation Methods for Nanomaterials by Richard B. Ross,Sanat Mohanty Pdf

This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.

Author : Simone Taioli,Maurizio Dapor,Nicola M. Pugno
Publisher : Frontiers Media SA
Page : 93 pages
File Size : 45,8 Mb
Release : 2016-01-22
Category : Electronic book
ISBN : 9782889197552

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New Frontiers in Multiscale Modelling of Advanced Materials by Simone Taioli,Maurizio Dapor,Nicola M. Pugno Pdf

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.

Author : Jacob Fish
Publisher : Oxford University Press on Demand
Page : 631 pages
File Size : 47,7 Mb
Release : 2010
Category : Mathematics
ISBN : 9780199233854

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Multiscale Methods by Jacob Fish Pdf

Small scale features and processes occurring at nanometer and femtosecond scales have a profound impact on what happens at a larger scale and over an extensive period of time. The primary objective of this volume is to reflect the state-of-the-art in multiscale mathematics, modeling, and simulations and to address the following barriers: What is the information that needs to be transferred from one model or scale to another and what physical principles must be satisfied during thetransfer of information? What are the optimal ways to achieve such transfer of information? How can variability of physical parameters at multiple scales be quantified and how can it be accounted for to ensure design robustness?The multiscale approaches in space and time presented in this volume are grouped into two main categories: information-passing and concurrent. In the concurrent approaches various scales are simultaneously resolved, whereas in the information-passing methods the fine scale is modeled and its gross response is infused into the continuum scale. The issue of reliability of multiscale modeling and simulation tools which focus on a hierarchy of multiscale models and an a posteriori model of errorestimation including uncertainty quantification, is discussed in several chapters. Component software that can be effectively combined to address a wide range of multiscale simulations is also described. Applications range from advanced materials to nanoelectromechanical systems (NEMS), biologicalsystems, and nanoporous catalysts where physical phenomena operates across 12 orders of magnitude in time scales and 10 orders of magnitude in spatial scales.This volume is a valuable reference book for scientists, engineers and graduate students practicing in traditional engineering and science disciplines as well as in emerging fields of nanotechnology, biotechnology, microelectronics and energy.

Author : Shilun Qiu,Teng Ben
Publisher : Royal Society of Chemistry
Page : 311 pages
File Size : 40,7 Mb
Release : 2015-11-03
Category : Technology & Engineering
ISBN : 9781782622260

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Porous Polymers by Shilun Qiu,Teng Ben Pdf

Porous materials with ultrahigh surface area are of great interest for potential applications in energy storage and environmental remediation. Porous Polymers describes the significant recent progress in the development of different porous frameworks, with a particular focus on the relationship between structure design, synthesis method and properties. The book starts with an introduction to porous materials and their functions followed by chapters looking at the design of porous polymers, synthesis methods of porous polymers (reversible methods, irreversible methods, copolymerization methods and self-polymerization methods); characterisation of porous polymer structures and post-synthesis techniques of porous polymers (lithiation, sulphonation, carbonization, grafting). Specific chapters then detail different porous materials systems such as conjugated microporous polymers (CMPs); covalent organic frameworks (COFs); hyper-crosslinked polymers (HCPs); polymers of intrinsic microporosity (PIMs); and porous aromatic frameworks (PAFs). Written by active researchers in the field, the book provides a comprehensive overview of different porous polymer systems for researchers and graduate students in chemistry and materials science working on novel materials and those interested in the energy and environmental applications.

Author : Arnab Chakrabarty,Sam Mannan,Tahir Cagin
Publisher : Butterworth-Heinemann
Page : 446 pages
File Size : 55,6 Mb
Release : 2015-11-29
Category : Technology & Engineering
ISBN : 9780123972835

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Multiscale Modeling for Process Safety Applications by Arnab Chakrabarty,Sam Mannan,Tahir Cagin Pdf

Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

Author : Martin Oliver Steinhauser
Publisher : Springer Nature
Page : 450 pages
File Size : 49,6 Mb
Release : 2022-07-28
Category : Science
ISBN : 9783030989545

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Computational Multiscale Modeling of Fluids and Solids by Martin Oliver Steinhauser Pdf

The expanded 3rd edition of this established textbook offers an updated overview and review of the computational physics techniques used in materials modelling over different length and time scales. It describes in detail the theory and application of some of the most important methods used to simulate materials across the various levels of spatial and temporal resolution. Quantum mechanical methods such as the Hartree-Fock approximation for solving the Schrödinger equation at the smallest spatial resolution are discussed as well as the Molecular Dynamics and Monte-Carlo methods on the micro- and meso-scale up to macroscopic methods used predominantly in the Engineering world such as Finite Elements (FE) or Smoothed Particle Hydrodynamics (SPH). Extensively updated throughout, this new edition includes additional sections on polymer theory, statistical physics and continuum theory, the latter being the basis of FE methods and SPH. Each chapter now first provides an overview of the key topics covered, with a new “key points” section at the end. The book is aimed at beginning or advanced graduate students who want to enter the field of computational science on multi-scales. It provides an in-depth overview of the basic physical, mathematical and numerical principles for modelling solids and fluids on the micro-, meso-, and macro-scale. With a set of exercises, selected solutions and several case studies, it is a suitable book for students in physics, engineering, and materials science, and a practical reference resource for those already using materials modelling and computational methods in their research.

Author : W. Andrzej Sokalski
Publisher : Springer
Page : 0 pages
File Size : 49,8 Mb
Release : 2010-11-11
Category : Science
ISBN : 9048173531

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Molecular Materials with Specific Interactions - Modeling and Design by W. Andrzej Sokalski Pdf

Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.

Author : Ivan Kondov,Godehard Sutmann
Publisher : Forschungszentrum Jülich
Page : 335 pages
File Size : 41,9 Mb
Release : 2013
Category : Electronic
ISBN : 9783893368990

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Multiscale Modelling Methods for Applications in Materials Science by Ivan Kondov,Godehard Sutmann Pdf