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Computational finite element methods in nanotechnology PDF

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Electrical Engineering Musa Computational Finite Computational Finite Element Methods in Element Methods in Nanotechnology Nanotechnology C o m p u N t Computational Finite Element Methods in Nanotechnology demonstrates the a a capabilities of finite element methods in nanotechnology for a range of fields. Bring- t i ing together contributions from researchers around the world, it covers key concepts n o as well as cutting-edge research and applications to inspire new developments and n future interdisciplinary research. In particular, it emphasizes the importance of finite o a element methods (FEMs) for computational tools in the development of efficient l nanoscale systems. t F i e n The book explores a variety of topics, including i t c e • A novel FE-based thermo-electrical-mechanical-coupled model to study me- h chanical stress, temperature, and electric fields in nano- and microelectronics E l • The integration of distributed element, lumped element, and system-level n e methods for the design, modeling, and simulation of nano- and microelectro m mechanical systems (N/MEMS) o e • Challenges in the simulation of nanorobotic systems and macrodimensions n l • The simulation of structures and processes such as dislocations, growth of t o epitaxial films, and precipitation M • Modeling of self-positioning nanostructures, nanocomposites, and carbon g nanotubes and their composites e • Progress in using FEM to analyze the electric field formed in needleless y t h electrospinning o • How molecular dynamic (MD) simulations can be integrated into the FEM d • Applications of finite element analysis in nanomaterials and systems used s in medicine, dentistry, biotechnology, and other areas i n A one-stop reference for professionals, researchers, and students, this is also an accessible introduction to computational FEMs in nanotechnology for those new to the field. Edited by Sarhan M. Musa K14178 6000 Broken Sound Parkway, NW Suite 300, Boca Raton, FL 33487 711 Third Avenue New York, NY 10017 2 Park Square, Milton Park Abingdon, Oxon OX14 4RN, UK Computational Finite Element Methods in Nanotechnology Computational Finite Element Methods in Nanotechnology Edited by Sarhan M. Musa Boca Raton London New York CRC Press is an imprint of the Taylor & Francis Group, an informa business MATLAB® is a trademark of The MathWorks, Inc. and is used with permission. The MathWorks does not warrant the accuracy of the text or exercises in this book. This book’s use or discussion of MATLAB® software or related products does not consti- tute endorsement or sponsorship by The MathWorks of a particular pedagogical approach or particular use of the MATLAB® software. CRC Press Taylor & Francis Group 6000 Broken Sound Parkway NW, Suite 300 Boca Raton, FL 33487-2742 © 2013 by Taylor & Francis Group, LLC CRC Press is an imprint of Taylor & Francis Group, an Informa business No claim to original U.S. Government works Version Date: 20120615 International Standard Book Number-13: 978-1-4398-9326-5 (eBook - PDF) This book contains information obtained from authentic and highly regarded sources. Reasonable efforts have been made to publish reliable data and information, but the author and publisher cannot assume responsibility for the validity of all materials or the consequences of their use. The authors and publishers have attempted to trace the copyright holders of all material repro- duced in this publication and apologize to copyright holders if permission to publish in this form has not been obtained. If any copyright material has not been acknowledged please write and let us know so we may rectify in any future reprint. Except as permitted under U.S. Copyright Law, no part of this book may be reprinted, reproduced, transmitted, or utilized in any form by any electronic, mechanical, or other means, now known or hereafter invented, including photocopying, microfilming, and recording, or in any information storage or retrieval system, without written permission from the publishers. For permission to photocopy or use material electronically from this work, please access www.copyright.com (http://www.copy- right.com/) or contact the Copyright Clearance Center, Inc. (CCC), 222 Rosewood Drive, Danvers, MA 01923, 978-750-8400. CCC is a not-for-profit organization that provides licenses and registration for a variety of users. For organizations that have been granted a photocopy license by the CCC, a separate system of payment has been arranged. Trademark Notice: Product or corporate names may be trademarks or registered trademarks, and are used only for identifica- tion and explanation without intent to infringe. Visit the Taylor & Francis Web site at http://www.taylorandfrancis.com and the CRC Press Web site at http://www.crcpress.com Dedicated to my father Mahmoud, my mother Fatmeh, and my wife Lama. Contents Preface...............................................................................................................................................ix Acknowledgments.........................................................................................................................xv Editor............................................................................................................................................xvii Contributors..................................................................................................................................xix 1. Overview of Computational Methods in Nanotechnology............................................1 Orion Ciftja and Sarhan M. Musa 2. Finite Element Method for Nanotechnology Applications in Nano-/Microelectronics...................................................................................................19 Jing Zhang 3. Modeling, Design, and Simulation of N/MEMS by Integrating Finite Element, Lumped Element, and System Level Analyses...................................41 Jason Vaughn Clark, Prabhakar Marepalli, and Richa Bansal 4. Nanorobotic Applications of the Finite Element Method.............................................85 S. Sadeghzadeh, M.H. Korayem, V. Rahneshin, A. Homayooni, and M. Moradi 5. Simulations of Dislocations and Coherent Nanostructures.......................................149 Anandh Subramaniam and Arun Kumar 6. Continuum and Atomic-Scale Finite Element Modeling of Multilayer Self-Positioning Nanostructures......................................................................................185 Y. Nishidate and G.P. Nikishkov 7. Application of Finite Element Method for the Design of Nanocomposites............241 Ufana Riaz and S.M. Ashraf 8. Finite Element Modeling of Carbon Nanotubes and Their Composites.................291 Mahmoud Nadim Nahas 9. Finite Element–Aided Electric Field Analysis of Needleless Electrospinning......311 Haitao Niu, Xungai Wang, and Tong Lin 10. Molecular Dynamic Finite Element Method (MDFEM).............................................331 Lutz Nasdala, Andreas Kempe, and Raimund Rolfes 11. Application of Biomaterials and Finite Element Analysis (FEA) in Nanomedicine and Nanodentistry...................................................................................373 Andy H. Choi, Jukka P. Matinlinna, Richard C. Conway, and Besim Ben-Nissan vii viii Contents 12. Application of Finite Element Analysis for Nanobiomedical Study........................401 Viroj Wiwanitkit 13. Finite Element Method for Micro- and Nano-Systems for Biotechnology..............423 Jean Berthier 14. Design of the Nanoinjection Detectors Using Finite Element Modeling................477 Omer G. Memis and Hooman Mohseni 15. Finite Element Method (FEM) for Nanotechnology Application in Engineering: Integrated Use of Macro-, Micro-, and Nano-Systems...................505 Radostina Petrova, P. Genova, and M. Tzoneva 16. Modeling at the Nano Level: Application to Physical Processes...............................559 Serge Lefeuvre and Olga Gomonova Appendix A: Material and Physical Constants....................................................................585 Appendix B: Symbols and Formulas......................................................................................589 Preface Computational.methods.of.nanotechnology.continue.to.contribute.to.the.progress.of.inno- vations.in.areas.ranging.from.electronics,.microcomputing,.and.biotechnology.to.medi- cine,.consumer.supplies,.aerospace,.environment,.and.energy.production. Nowadays,.finite.element.methods.(FEMs).are.widely.used.in.computational.nanotech- nology.and.nanoscience..Computational Finite Element Methods in Nanotechnology.can.be. used.for.new.developments.and.future.interdisciplinary.research.by.engineers,.scientists,. biologists,.and.information.business.managers..It.also.provides.an.introduction.to.key. concepts.in.a.manner.that.is.easily.digestible.to.a.beginner.in.the.field..This.book.may. also.serve.as.a.single.source.of.reference.to.the.veteran.in.the.field..It.is.intended.for.a. broad.audience.working.in.the.fields.of.physics,.chemistry,.biology,.medicine,.material. science,.quantum.science,.electrical.and.electronic.engineering,.medicine,.optical.sci- ence,.computer.science,.mechanical.engineering,.chemical.engineering,.and.aerospace. engineering..The.book.has.been.written.for.professionals,.researchers,.and.students.who. would.like.to.discover.the.challenges.and.opportunities.concerning.the.development.of. the.next.generation.of.nanoscale.computational.nanotechnology.using.FEMs..In.addition,. it.emphasizes.the.importance.of.FEMs.for.computational.tools.in.the.development.of.effi- cient.nanoscale.systems. This.book.has.16.chapters.and.2.appendices..Indeed,.the.book.also.contains.vast.recent. applications.of.microscale.and.nanoscale.modeling.systems.with.FEMs.using.Comsol. Multiphysics.and.MATLAB®. Chapter.1.presents.an.overview.to.computational.methods.in.nanotechnology..It.describes. the.latest.developments.in.nanotechnology,.which.offer.the.possibility.for.revolutionary. advances.in.fundamental.sciences.and.engineering..It.also.focuses.on.nanoscale.structures. relevant.to.nanotechnology,.modeling.methods,.and.FEMs.for.nanoscale.circuits. Chapter.2.presents.a.novel.finite.element.(FE)-based,.thermo-electrical-mechanical-. coupled.model.to.study.mechanical.stress,.temperature,.and.electric.fields.in.nano/micro- electronics..First,.the.governing.equations.of.electricity,.heat.transfer,.mechanical.behavior,. and.piezoelectricity.are.provided..A.rigorous.framework.of.coupling.these.phenomena. is.then.derived..Two.case.studies.are.presented.that.illustrate.the.application.of.the.FE. model.in.nano/microelectronics..The.first.case.study.describes.thermal.stress.modeling.in. wafer-level.three-dimensional.(3D).integration..The.second.case.study.presents.modeling. of.material.degradation.in.heterostructure.field-effect.transistors. Chapter.3.presents.an.integration.of.distributed.element,.lumped.element,.and.system. level.methods.for.the.design,.modeling,.and.simulation.of.nano/microelectro.mechani- cal.systems.(N/MEMS)..The.authors.show.that.the.benefits.of.lumped.elements.are.com- putational.efficiency.and.ease.of.parameterization;.however,.such.lumped.models.must. preexist..For.models.that.do.not.preexist,.or.if.the.analysis.of.single.component.is.nec- essary,.distributed.element.methods.are.often.beneficial..However,.distributed.elements. are.computationally.expensive,.especially.for.devices.with.a.multitude.of.multiphysical. components..Often,.reduced.order.methods.are.used.to.minimize.the.degrees.of.freedom. for.a.more.efficient.model.at.the.expense.of.trading.off.some.accuracy..The.integration.of. both.distributed.and.lumped.element.methods.can.be.useful.for.modeling.micro-.and. nanosystems..Although.the.authors.conclude.that.not.every.N/MEMS.can.be.represented. using.the.methods.discussed.here,.a.large.number.of.devices.can.be.efficiently.explored. ix

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