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Multi Scale Modeling Of Liquid Crystalline Polymers
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Book Synopsis Multi-scale Modeling of Liquid Crystalline Polymers by : Robert Kehalani Sentinella
Download or read book Multi-scale Modeling of Liquid Crystalline Polymers written by Robert Kehalani Sentinella and published by ProQuest. This book was released on 2008 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid Crystalline Polymers have a wide variety of applications. They are not only interesting to the industrial world, but to the academic world as well. To take full advantage of these interesting materials, it is necessary to develop numerical algorithms that predict their behavior when subjected to processing flows. In the current work, an algorithm was developed that directly solves the full Doi-Marrucci-Greco (DMG) model for a 2D flow domain when subjected to simple shear flow. This algorithm is referred to as the direct solver. Due to the extremely high computational cost of implementing this direct solver, a Multi-Resolution based methodology was designed and proves to be a viable technique in reducing this cost. It also displays promise as a tool that could be applied to different complex fluids problems and perhaps beyond.
Book Synopsis Multiscale Modeling and Computation of Liquid Crystal Polymers, Polymer Blends, and Polymer Nanocomposites: Investigation of Rheology and Material Properties by :
Download or read book Multiscale Modeling and Computation of Liquid Crystal Polymers, Polymer Blends, and Polymer Nanocomposites: Investigation of Rheology and Material Properties written by and published by . This book was released on 2008 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: High-performance polymeric materials such as liquid crystal polymers and polymer nano-particle composites have many military applications. The project aimed to study the mesoscopic structure formation during flow processing and characterization of material properties in solid states. Significant progress has been made to model the materials and to understand their rheological properties in melt or solution processing. Electrical and thermal conduction properties of the nanocomposites are characterized by the low volume fraction asymptotic approach. More anisotropic molecular configuration and their impact to the macroscopic material properties have been investigated. Applications of the models and numerical tools developed for complex fluids are used to important biological applications.
Book Synopsis Multiscale Modeling of Structure-property Relationships in Polymers with Heterogenous Structure by : Yiyang Li
Download or read book Multiscale Modeling of Structure-property Relationships in Polymers with Heterogenous Structure written by Yiyang Li and published by . This book was released on 2017 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The exceptional mechanical properties of polymers with heterogeneous structure, such as the high toughness of polyethylene and the excellent blast-protection capability of polyurea, are strongly related to their morphology and nanoscale structure. Different polymer microstructures, such as semicrystalline morphology and segregated nanophases, lead to coordinated molecular motions during deformation in order to preserve compatibility between the different material phases. To study molecular relaxation in polyethylene, a coarse-grained model of polyethylene was calibrated to match the local structural variable distributions sampled from supercooled atomistic melts. The coarse-grained model accurately reproduces structural properties, e.g., the local structure of both the amorphous and crystalline phases, and thermal properties, e.g., glass transition and melt temperatures, and dynamic properties: including the vastly different relaxation time scales of the amorphous and crystalline phases. A hybrid Monte Carlo routine was developed to generate realistic semicrystalline configurations of polyethylene. The generated systems accurately predict the activation energy of the alpha relaxation process within the crystalline phase. Furthermore, the models show that connectivity to long chain segments in the amorphous phase increases the energy barrier for chain slip within crystalline phase. This prediction can guide the development of tougher semicrystalline polymers by providing a fundamental understanding of how nanoscale morphology contributes to chain mobility. In a different study, the macroscopic shock response of polyurea, a phase segregated copolymer, was analyzed using density functional theory (DFT) molecular dynamics (MD) simulations and classical MD simulations. The two models predict the shock response consistently up to shock pressures of 15 GPa, beyond which the DFT-based simulations predict a softer response. From the DFT simulations, an analysis of bond scission was performed as a first step in developing a more fundamental understanding of how shock induced material transformations effect the shock response and pressure dependent strength of polyurea subjected to extreme shocks.
Book Synopsis Multi-scale Phenomena In Complex Fluids: Modeling, Analysis And Numerical Simulations by : Chun Liu
Download or read book Multi-scale Phenomena In Complex Fluids: Modeling, Analysis And Numerical Simulations written by Chun Liu and published by World Scientific. This book was released on 2009-06-12 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multi-Scale Phenomena in Complex Fluids is a collection of lecture notes delivered during the first two series of mini-courses from “Shanghai Summer School on Analysis and Numerics in Modern Sciences”, which was held in 2004 and 2006 at Fudan University, Shanghai, China.This review volume of 5 chapters, covering various fields in complex fluids, places emphasis on multi-scale modeling, analyses and simulations. It will be of special interest to researchers and graduate students who want to work in the field of complex fluids.
Book Synopsis Multiscale Modelling of Polymer Properties by : E. Perpète
Download or read book Multiscale Modelling of Polymer Properties written by E. Perpète and published by Elsevier. This book was released on 2006-11-18 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends. * Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Book Synopsis Computer Simulations of Liquid Crystals and Polymers by : Paolo Pasini
Download or read book Computer Simulations of Liquid Crystals and Polymers written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2005-08-11 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Multi-Scale Phenomena in Complex Fluids by : Thomas Y. Hou
Download or read book Multi-Scale Phenomena in Complex Fluids written by Thomas Y. Hou and published by World Scientific. This book was released on 2009 with total page 379 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multi-Scale Phenomena in Complex Fluids is a collection of lecture notes delivered during the first two series of mini-courses from OC Shanghai Summer School on Analysis and Numerics in Modern SciencesOCO, which was held in 2004 and 2006 at Fudan University, Shanghai, China. This review volume of 5 chapters, covering various fields in complex fluids, places emphasis on multi-scale modeling, analyses and simulations. It will be of special interest to researchers and graduate students who want to work in the field of complex fluids."
Book Synopsis Multiscale Simulation of Viscoelastic Flows by : Jason Ka-Chun Suen
Download or read book Multiscale Simulation of Viscoelastic Flows written by Jason Ka-Chun Suen and published by . This book was released on 2003 with total page 726 pages. Available in PDF, EPUB and Kindle. Book excerpt: (Cont.) Simulations of the original Doi model with the Maier-Saupe potential in a pressure-driven channel flow by Nayak showed disclination formation due to the shear-rate-dependent frequencies of the tumbling/wagging states of the Doi model in a shear or mixed shear flow. The lack of an instrinsic length scale in the model leads to an infinitesimal structure refinement that eventually causes numerical instabilities. In this thesis, the effect of concentration variation is incorporated to develop a modified Doi model for introducing an intrinsic length scale through translational diffusion. This changes the mathematical characteristics of the spatial variation of the underlying diffusion equation from that of a hyperbolic equation to that of an elliptic equation. The resulting elliptic diffusion equation is then solved by using a local discontinuous Galerkin method, where an auxillary variable is introduced to rewrite the elliptic diffusion equation into a pair of formal, hyperbolic equations, which in turn is solved by the standard discontinuous Galerkin method. Unlike the original Doi model, a steady state is reached for a variety of De. Although there is structure variation across the channel width, the director profiles point uniformly along the flow direction. The lack of disclination formation may be rectified by introducing Frank elasticity into the modified Doi model ...
Book Synopsis Flow Visualization and Modeling of Liquid Crystalline Polymers by : Mark Naoshi Kawaguchi
Download or read book Flow Visualization and Modeling of Liquid Crystalline Polymers written by Mark Naoshi Kawaguchi and published by . This book was released on 1998 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computer Simulations of Liquid Crystals and Polymers by : Paolo Pasini
Download or read book Computer Simulations of Liquid Crystals and Polymers written by Paolo Pasini and published by Springer Science & Business Media. This book was released on 2005-02-15 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Liquid Crystal Elastomers by : Mark Warner
Download or read book Liquid Crystal Elastomers written by Mark Warner and published by Oxford University Press. This book was released on 2007-04-05 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text is a primer for liquid crystals, polymers, rubber and elasticity. It is directed at physicists, chemists, material scientists, engineers and applied mathematicians at the graduate student level and beyond.
Book Synopsis Multi-Scale Modelling of Composite Material Systems by : C Soutis
Download or read book Multi-Scale Modelling of Composite Material Systems written by C Soutis and published by Elsevier. This book was released on 2005-08-29 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: One of the most important and exciting areas of composites research is the development of modelling techniques to predict the response of composite materials to different types of stress. Predictive modelling provides the opportunity both to understand better how composites behave in different conditions and to develop materials with enhanced performance for particular industrial applications. Multi-scale modelling of composite material systems summarises the key research in this area and its implications for industry.The book covers modelling approaches ranging from the micron to the metre in scale, and from the single fibre to complete composite structures. Individual chapters discuss a variety of material types from laminates and fibre-reinforced composites to monolithic and sandwich composites. They also analyse a range of types of stress and stress response from fracture and impact to wear and fatigue. Authors also discuss the strengths and weaknesses of particular models.With its distinguished editors and international team of contributors, Multi-scale modelling of composite material systems is a standard reference for both academics and manufacturers in such areas as aerospace, automotive and civil engineering. Extensive coverage of this important and exciting area of composites research Understand how composites behave in different circumstances Compiled by an expert panel of authors and editors
Book Synopsis Dissertation Abstracts International by :
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 868 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Liquid Crystalline Polymers by : A. M. Donald
Download or read book Liquid Crystalline Polymers written by A. M. Donald and published by Cambridge University Press. This book was released on 2006-05-11 with total page 616 pages. Available in PDF, EPUB and Kindle. Book excerpt: A 2006 edition explaining the underlying science and applications of liquid crystalline polymers.
Book Synopsis Computational Chemistry and Molecular Modeling by : K. I. Ramachandran
Download or read book Computational Chemistry and Molecular Modeling written by K. I. Ramachandran and published by Springer Science & Business Media. This book was released on 2008-05-20 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Book Synopsis Multiscale Modeling of Multiphase Polymers by : William Brantley Lawrimore
Download or read book Multiscale Modeling of Multiphase Polymers written by William Brantley Lawrimore and published by . This book was released on 2016 with total page 127 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accurately simulating material systems in a virtual environment requires the synthesis and utilization of all relevant information regarding performance mechanisms for the material occurring over a range of length and time scales. Multiscale modeling is the basis for the Integrated Computational Materials Engineering (ICME) Paradigm and is a powerful tool for accurate material simulations. However, while ICME has experienced adoption among those in the metals community, it has not gained traction in polymer research. This thesis seeks establish a hierarchical multiscale modeling methodology for simulating polymers containing secondary phases. The investigation laid out in the chapters below uses mesoscopic Finite Element Analysis (FEA) as a foundation to build a multiscale modeling methodology for polymer material systems. At the mesoscale a Design of Experiments (DOE) parametric study utilizing FEA of polymers containing defects compared the relative impacts of a selection of parameters on damage growth and coalescence in polymers. Of the parameters considered, the applied stress state proved to be the most crucial parameter affecting damage growth and coalescence. At the macroscale, the significant influence of the applied stress state on damage growth and coalescence in polymers (upscaled from the mesoscale) motivated an expansion of the Bouvard Internal State Variable (ISV) (Bouvard et al. 2013) polymer model stress state sensitivity. Deviatoric stress invariants were utilized to modify the Bouvard ISV model to account for asymmetry in polymer mechanical performance across different stress states (tension, compression, torsion). Lastly, this work implements a hierarchical multiscale modeling methodology to examine parametric effects of heterogeneities on Polymer/Clay Nanocomposite’s (PCNs) mechanical performance under uncertainty. A Virtual Composite Structure Generator (VCSG) built three-dimensional periodic Representative Volume Elements (RVEs) coupled to the Bouvard ISV model and a Cohesive Zone Model (CZM) which featured a Traction-Separation (T-S) rule calibrated to results upscaled from Molecular Dynamics (MD) simulations. A DOE parametric examination utilized the RVEs to determine the relative effects of a selection of parameters on the mechanical performance of PCNs. DOE results determined that nanoclay particle orientation was the most influential parameter affecting PCN elastic modulus while intercalated interlamellar gallery strength had the greatest influence on PCN yield stress.
Download or read book ICASE Semiannual Report written by and published by . This book was released on 2002 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report summarizes research conducted at ICASE in applied mathematics, computer science, fluid mechanics, and structures and material sciences during the period October 1, 2000 through March 31, 2001.
