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Computer Simulations of Liquid Crystals and Polymers
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Computer Simulations of Liquid Crystals and Polymers - new book

ISBN: 9781402027604

ID: 9781402027604

Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas. 1. Lattice spin Models of polymer-dispersed liquid crystals C.Chiccoli et al.Introduction, 1.Polymer-dispersed liquid crystals, 2.The simulation method, 2.1The PDLC simulation model, 2.2 Molecular ordering, 3.2H NMR, 3.1 Orientational fluctuations, 3.2 Translational diffusion.4External field effects, 4.1 Radial droplet, 4.2 Bipolar droplet. 5 Many-droplet sample.6.Conclusions 2.Nematics with dispersed polymer networks: from lattice spin models to experimental observables C.Chiccoli et al. Introduction.1.Aligning ability of the network.1.1 Planar anchoring.1.2 Homeotropic anchoring: topological defects.1.3 2 H NMR spectra. 2 External field-induced switching.2.1 Regular fiber array. 2.2 Irregular fiber array. 2.3 Experimental observables and network irregularity. 3.Pretransitional ordering in the isotropic phase.4 Conclusions. 3. Computer simulations of liquid crystal polymers and dendrimers M.R..Wilson et al. Introduction. 1.Simulation Models. 1.1 Atomistic Models, 1.2 Simplified models for polymers and liquid crystals, 2.Hybrid Models, 3.Side chain liquid crystalline polymers, 4.Main chain liquid crystalline polymer, 5.Carbosilane liquid crystalline dendrimers, 5.1 Hybrid Gay-Berne/Lennard-Jones model, 5.2 Coarse-grained model, 6.Summary. 4.Monte Carlo simulations of liquids of mesogenic oligomers Michelle and Manuela Vacatello. Introduction. 1.Trimers with polymethylene spacers, 1.1 Models and methods, 1.2 Thermal behaviour, 1.3 Orientational order in the nematic liquids,1.4 Conformational changes at the nematic/isotropic transition, 2. Dimers of series I, 3. Conclusions. 5. Molecular arrangements in polymer-nanofiller systems Michelle and Manuela Vacatello.Introduction. 1.Simulations of dense systems,1.1 Models and methods,1.2 The filler/polymer interface, 1.3 Chain conformation, 1.4Molecular arrangements, 1.5 Predicting the molecular arrangements,2.Simulations of phantom chains, 3. Conclusions. 6. Dissipative particle dynamics approaIntroduction, 1.Polymer-dispersed liquid crystals, 2.The simulation method, 2.1The PDLC simulation model, 2.2 Molecular ordering, 3.2H NMR, 3.1 Orientational fluctuations, 3.2 Translational diffusion.4External field effects, 4.1 Radial droplet, 4.2 Bipolar droplet. 5 Many-droplet sample.6.Conclusions 2.Nematics with dispersed polymer networks: from lattice spin models to experimental observables Introduction.1.Aligning ability of the network.1.1 Planar anchoring.1.2 Homeotropic anchoring: topological defects.1.3 2 NMR spectra. 2 External field-induced switching.2.1 Regular fiber array. 2.2 Irregular fiber array. 2.3 Experimental observables and network irregularity. 3.Pretransitional ordering in the isotropic phase.4 Conclusions. 3. Computer simu 5.Summary. 7. Some things we can le Computer Simulations of Liquid Crystals and Polymers: Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas. 1. Lattice spin Models of polymer-dispersed liquid crystals C.Chiccoli et al.Introduction, 1.Polymer-dispersed liquid crystals, 2.The simulation method, 2.1The PDLC simulation model, 2.2 Molecular ordering, 3.2H NMR, 3.1 Orientational fluctuations, 3.2 Translational diffusion.4External field effects, 4.1 Radial droplet, 4.2 Bipolar droplet. 5 Many-droplet sample.6.Conclusions 2.Nematics with dispersed polymer networks: from lattice spin models to experimental observables C.Chiccoli et al. Introduction.1.Aligning ability of the network.1.1 Planar anchoring.1.2 Homeotropic anchoring: topological defects.1.3 2 H NMR spectra. 2 External field-induced switching.2.1 Regular fiber array. 2.2 Irregular fiber array. 2.3 Experimental observables and network irregularity. 3.Pretransitional ordering in the isotropic phase.4 Conclusions. 3. Computer simulations of liquid crystal polymers and dendrimers M.R..Wilson et al. Introduction. 1.Simulation Models. 1.1 Atomistic Models, 1.2 Simplified models for polymers and liquid crystals, 2.Hybrid Models, 3.Side chain liquid crystalline polymers, 4.Main chain liquid crystalline polymer, 5.Carbosilane liquid crystalline dendrimers, 5.1 Hybrid Gay-Berne/Lennard-Jones model, 5.2 Coarse-grained model, 6.Summary. 4.Monte Carlo simulations of liquids of mesogenic oligomers Michelle and Manuela Vacatello. Introduction. 1.Trimers with polymethylene spacers, 1.1 Models and methods, 1.2 Thermal behaviour, 1.3 Orientational order in the nematic liquids,1.4 Conformational changes at the nematic/isotropic transition, 2. Dimers of series I, 3. Conclusions. 5. Molecular arrangements in polymer-nanofiller systems Michelle and Manuela Vacatello.Introduction. 1.Simulations of dense systems,1.1 Models and methods,1.2 The filler/polymer interface, 1.3 Chain conformation, 1.4Molecular arrangements, 1.5 Predicting the molecular arrangements,2.Simulations of phantom chains, 3. Conclusions. 6. Dissipative particle dynamics approaIntroduction, 1.Polymer-dispersed liquid crystals, 2.The simulation method, 2.1The PDLC simulation model, 2.2 Molecular ordering, 3.2H NMR, 3.1 Orientational fluctuations, 3.2 Translational diffusion.4External field effects, 4.1 Radial droplet, 4.2 Bipolar droplet. 5 Many-droplet sample.6.Conclusions 2.Nematics with dispersed polymer networks: from lattice spin models to experimental observables Introduction.1.Aligning ability of the network.1.1 Planar anchoring.1.2 Homeotropic anchoring: topological defects.1.3 2 NMR spectra. 2 External field-induced switching.2.1 Regular fiber array. 2.2 Irregular fiber array. 2.3 Experimental observables and network irregularity. 3.Pretransitional ordering in the isotropic phase.4 Conclusions. 3. Computer simu 5.Summary. 7. Some things we can le, Springer-Verlag Gmbh

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Computer Simulations of Liquid Crystals and Polymers - Paolo Pasini#Claudio Zannoni#Slobodan Žumer
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Computer Simulations of Liquid Crystals and Polymers - new book

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Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas. Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years wit eBook eBooks>Fremdsprachige eBooks>Englische eBooks>Sach- & Fachthemen>Chemie, Springer Netherlands

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Computer Simulations of Liquid Crystals and Polymers - Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers, Erice, Italy. 16-22 July 2003 - Pasini, Paolo; Zannoni, Claudio; ?umer, Slobodan
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Computer Simulations of Liquid Crystals and Polymers - Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers, Erice, Italy. 16-22 July 2003 - new book

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ISBN: 1402027605

ID: 9781402027604

In englischer Sprache. Verlag: Springer Netherland, Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a considerable amount of simulation work has been done in the last few years with various classes of models at different special resolutions, ranging from atomistic to molecular and coarse-grained lattice models. Each of the two fields has developed its own set of tools and specialized procedures and the book aims to provide a state of the art review of the computer simulation studies of polymers and liquid crystals. This is of great importance in view of a potential cross-fertilization between these connected areas which is particularly apparent for a number of experimental systems like, e.g. polymer liquid crystals and anisotropic gels where the different fields necessarily merge. An effort has been made to assess the possibilities of a coherent description of the themes that have developed independently, and to compare and extend the theoretical and computational techniques put forward in the different areas. PC-PDF, 364 Seiten, XVI Seiten, 364 Seiten, [GR: 9645 - Nonbooks, PBS / Physik, Astronomie/Atomphysik, Kernphysik], [SW: - Physik ], [Ausgabe: 2005][PU:Springer Netherland], [PU: Springer]

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Computer Simulations of Liquid Crystals and Polymers - Paolo Pasini;  Paolo Pasini;  Claudio Zannoni;  Claudio Zannoni;  Slobodan Žumer;  Slobodan Ž
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Computer Simulations of Liquid Crystals and Polymers - First edition

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Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers, Erice, Italy. 16-22 July 2003, [ED: 1], Auflage, eBook Download (PDF), eBooks, [PU: Springer-Verlag]

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Computer Simulations of Liquid Crystals and Polymers - Paolo Pasini; Claudio Zannoni; Slobodan Žum
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Computer Simulations of Liquid Crystals and Polymers - new book

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Proceedings of the NATO Advanced Research Workshop on Computational Methods for Polymers and Liquid Crystalline Polymers, Erice, Italy. 16-22 July 2003, [ED: 2005], eBook Download (PDF), eBooks, [PU: Springer Netherland]

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