Equivalent-continuum Modeling of Nano-structured Materials

Equivalent-continuum Modeling of Nano-structured Materials

Author: Gregory M. Odegard

Publisher:

Published: 2001

Total Pages: 38

ISBN-13:

DOWNLOAD EBOOK

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.


Book Synopsis Equivalent-continuum Modeling of Nano-structured Materials by : Gregory M. Odegard

Download or read book Equivalent-continuum Modeling of Nano-structured Materials written by Gregory M. Odegard and published by . This book was released on 2001 with total page 38 pages. Available in PDF, EPUB and Kindle. Book excerpt: A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.

Equivalent-Continuum Modeling of Nano-Structured Materials

Equivalent-Continuum Modeling of Nano-Structured Materials

Author: National Aeronautics and Space Adm Nasa

Publisher: Independently Published

Published: 2018-09-15

Total Pages: 36

ISBN-13: 9781723723568

DOWNLOAD EBOOK

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.Odegard, Gregory M. and Gates, Thomas S. and Nicholson, Lee M. and Wise, Kristopher E.Langley Research CenterCONTINUUM MODELING; COMPUTATIONAL CHEMISTRY; SOLID MECHANICS; MOLECULAR STRUCTURE; NANOTUBES; FINITE ELEMENT METHOD; NANOTECHNOLOGY; THICKNESS; POTENTIAL ENERGY


Book Synopsis Equivalent-Continuum Modeling of Nano-Structured Materials by : National Aeronautics and Space Adm Nasa

Download or read book Equivalent-Continuum Modeling of Nano-Structured Materials written by National Aeronautics and Space Adm Nasa and published by Independently Published. This book was released on 2018-09-15 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt: A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.Odegard, Gregory M. and Gates, Thomas S. and Nicholson, Lee M. and Wise, Kristopher E.Langley Research CenterCONTINUUM MODELING; COMPUTATIONAL CHEMISTRY; SOLID MECHANICS; MOLECULAR STRUCTURE; NANOTUBES; FINITE ELEMENT METHOD; NANOTECHNOLOGY; THICKNESS; POTENTIAL ENERGY

Equivalent-Continuum Modeling With Application to Carbon Nanotubes

Equivalent-Continuum Modeling With Application to Carbon Nanotubes

Author:

Publisher:

Published: 2002

Total Pages: 32

ISBN-13:

DOWNLOAD EBOOK

A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet, A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent-continuum models. As a result, an effective thickness of the continuum model has been determined.


Book Synopsis Equivalent-Continuum Modeling With Application to Carbon Nanotubes by :

Download or read book Equivalent-Continuum Modeling With Application to Carbon Nanotubes written by and published by . This book was released on 2002 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt: A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet, A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent-continuum models. As a result, an effective thickness of the continuum model has been determined.

Equivalent-Continuum Modeling with Application to Carbon Nanotubes

Equivalent-Continuum Modeling with Application to Carbon Nanotubes

Author: National Aeronautics and Space Adm Nasa

Publisher: Independently Published

Published: 2018-09-15

Total Pages: 32

ISBN-13: 9781723723605

DOWNLOAD EBOOK

A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.Odegard, Gregory M. and Gates, Thomas S. and Nicholson, Lee M. and Wise, Kristopher E.Langley Research CenterCARBON NANOTUBES; CONTINUUM MODELING; SOLID MECHANICS; NANOTECHNOLOGY; GRAPHITE; POTENTIAL ENERGY; TRUSSES; VIBRATION; BENDING


Book Synopsis Equivalent-Continuum Modeling with Application to Carbon Nanotubes by : National Aeronautics and Space Adm Nasa

Download or read book Equivalent-Continuum Modeling with Application to Carbon Nanotubes written by National Aeronautics and Space Adm Nasa and published by Independently Published. This book was released on 2018-09-15 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt: A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.Odegard, Gregory M. and Gates, Thomas S. and Nicholson, Lee M. and Wise, Kristopher E.Langley Research CenterCARBON NANOTUBES; CONTINUUM MODELING; SOLID MECHANICS; NANOTECHNOLOGY; GRAPHITE; POTENTIAL ENERGY; TRUSSES; VIBRATION; BENDING

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

Author: Thomas S. Gates

Publisher:

Published: 2003

Total Pages: 24

ISBN-13:

DOWNLOAD EBOOK


Book Synopsis Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems by : Thomas S. Gates

Download or read book Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems written by Thomas S. Gates and published by . This book was released on 2003 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Constitutive Modeling of Nanotube-reinforced Polymer Composite Systems

Constitutive Modeling of Nanotube-reinforced Polymer Composite Systems

Author: Gregory M. Odegard

Publisher:

Published: 2001

Total Pages: 20

ISBN-13:

DOWNLOAD EBOOK

In this study, a technique has been proposed for developing constitive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Since the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be be considered continuous, and the bulk mechanical properties of the SWNT/polymer composites can no longer be determined through traditional micromechanical approaches that are formulated using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method.


Book Synopsis Constitutive Modeling of Nanotube-reinforced Polymer Composite Systems by : Gregory M. Odegard

Download or read book Constitutive Modeling of Nanotube-reinforced Polymer Composite Systems written by Gregory M. Odegard and published by . This book was released on 2001 with total page 20 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this study, a technique has been proposed for developing constitive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Since the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be be considered continuous, and the bulk mechanical properties of the SWNT/polymer composites can no longer be determined through traditional micromechanical approaches that are formulated using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method.

Nanoengineering of Structural, Functional and Smart Materials

Nanoengineering of Structural, Functional and Smart Materials

Author: Mark J. Schulz

Publisher: CRC Press

Published: 2005-08-29

Total Pages: 740

ISBN-13: 0203491963

DOWNLOAD EBOOK

In chapters contributed by 24 university & government laboratories, Nanoengineering of Structural, Functional, and Smart Materials combines wide-ranging research aimed at the development of multifunctional materials that are strong, lightweight, and versatile. This book explores promising and diverse approaches to the design of nanoscale


Book Synopsis Nanoengineering of Structural, Functional and Smart Materials by : Mark J. Schulz

Download or read book Nanoengineering of Structural, Functional and Smart Materials written by Mark J. Schulz and published by CRC Press. This book was released on 2005-08-29 with total page 740 pages. Available in PDF, EPUB and Kindle. Book excerpt: In chapters contributed by 24 university & government laboratories, Nanoengineering of Structural, Functional, and Smart Materials combines wide-ranging research aimed at the development of multifunctional materials that are strong, lightweight, and versatile. This book explores promising and diverse approaches to the design of nanoscale

Chemical and Biochemical Engineering

Chemical and Biochemical Engineering

Author: Ali Pourhashemi

Publisher: CRC Press

Published: 2015-01-28

Total Pages: 291

ISBN-13: 1482252430

DOWNLOAD EBOOK

This book facilitates the study of problematic chemicals in such applications as chemical fate modeling, chemical process design, and experimental design. This volume provides comprehensive coverage of modern biochemical engineering, detailing the basic concepts underlying the behavior of bioprocesses as well as advances in bioprocess and biochemic


Book Synopsis Chemical and Biochemical Engineering by : Ali Pourhashemi

Download or read book Chemical and Biochemical Engineering written by Ali Pourhashemi and published by CRC Press. This book was released on 2015-01-28 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book facilitates the study of problematic chemicals in such applications as chemical fate modeling, chemical process design, and experimental design. This volume provides comprehensive coverage of modern biochemical engineering, detailing the basic concepts underlying the behavior of bioprocesses as well as advances in bioprocess and biochemic

Characterization of Nanocomposites

Characterization of Nanocomposites

Author: Frank Abdi

Publisher: CRC Press

Published: 2017-03-31

Total Pages: 292

ISBN-13: 1315341247

DOWNLOAD EBOOK

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.


Book Synopsis Characterization of Nanocomposites by : Frank Abdi

Download or read book Characterization of Nanocomposites written by Frank Abdi and published by CRC Press. This book was released on 2017-03-31 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

In-Silico Approaches to Macromolecular Chemistry

In-Silico Approaches to Macromolecular Chemistry

Author: Minu Elizabeth Thomas

Publisher: Elsevier

Published: 2023-02-28

Total Pages: 628

ISBN-13: 0323909965

DOWNLOAD EBOOK

Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. Highlights in silico studies of both bio and synthetic macromolecules in one book Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs


Book Synopsis In-Silico Approaches to Macromolecular Chemistry by : Minu Elizabeth Thomas

Download or read book In-Silico Approaches to Macromolecular Chemistry written by Minu Elizabeth Thomas and published by Elsevier. This book was released on 2023-02-28 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. Highlights in silico studies of both bio and synthetic macromolecules in one book Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs