Journal ArticleDOI
Modeling of carbon nanotubes and carbon nanotube-polymer composites
TLDR
In this article, a review of various modeling techniques in studying the mechanical response of carbon nanotube (CNT) reinforced lightweight and high strength polymer nanocomposites (PNCs) is presented.About:
This article is published in Progress in Aerospace Sciences.The article was published on 2016-01-01. It has received 71 citations till now. The article focuses on the topics: Multiscale modeling.read more
Citations
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PVDF/Palygorskite Nanowire Composite Electrolyte for 4 V Rechargeable Lithium Batteries with High Energy Density
Pengcheng Yao,Bin Zhu,Bin Zhu,Haowei Zhai,Xiangbiao Liao,Yuxiang Zhu,Weiheng Xu,Qian Cheng,Charles Jayyosi,Zheng Li,Jia Zhu,Kristin M. Myers,Xi Chen,Yuan Yang +13 more
TL;DR: This work prepares poly(vinylidene fluoride) polymer electrolytes with an organic plasticizer, which possesses compatibility with 4 V cathode and high ionic conductivity and introduces palygorskite nanowires as a new ceramic filler to form composite solid electrolytes (CPE), which greatly enhances both stiffness and toughness of PVDF-based polymer electrolyte.
Journal ArticleDOI
Carbon nanotubes: A potential material for energy conversion and storage
Sandeep Kumar,Monika Nehra,Deepak Kedia,Neeraj Dilbaghi,K. Tankeshwar,K. Tankeshwar,Ki-Hyun Kim +6 more
TL;DR: In this article, a critical review was organized to address the recent developments in the use of carbon nanotube-based materials as working/counter electrodes and electrolytes in photovoltaic devices and as building blocks in next-generation flexible energy storage devices.
Journal ArticleDOI
A review of the interfacial characteristics of polymer nanocomposites containing carbon nanotubes
TL;DR: In this paper, an overview of recent advances in research on the interfacial characteristics of carbon nanotube-polymer nanocomposites is presented, and the current challenges and opportunities for efficiently translating the remarkable properties of nanotubes to polymer matrices are summarized in the hopes of facilitating the development of this emerging area.
Journal ArticleDOI
Static stability analysis of carbon nanotube reinforced polymeric composite doubly curved micro-shell panels
TL;DR: In this article, the authors developed a size-dependent model to provide a comprehensive analysis of static stability in doubly curved micro-panels resting on an elastic foundation, which is made of advanced composites which reinforced with carbon-based materials.
Journal ArticleDOI
Interfacial characteristics of carbon nanotube-polymer composites: A review
TL;DR: In this paper, the state of knowledge in the characteristics of the interface between the carbon nanotubes and the polymer matrix is presented, focusing on the progress of the relationships between interfacial characteristics and nanocomposite properties.
References
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Journal ArticleDOI
Helical microtubules of graphitic carbon
TL;DR: Iijima et al. as mentioned in this paper reported the preparation of a new type of finite carbon structure consisting of needle-like tubes, which were produced using an arc-discharge evaporation method similar to that used for fullerene synthesis.
Journal ArticleDOI
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks,Robert E. Bruccoleri,Barry D. Olafson,David J. States,S. Swaminathan,Martin Karplus +5 more
TL;DR: The CHARMM (Chemistry at Harvard Macromolecular Mechanics) as discussed by the authors is a computer program that uses empirical energy functions to model macromolescular systems, and it can read or model build structures, energy minimize them by first- or second-derivative techniques, perform a normal mode or molecular dynamics simulation, and analyze the structural, equilibrium, and dynamic properties determined in these calculations.
Journal ArticleDOI
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello,A. Rahman +1 more
TL;DR: In this paper, a new Lagrangian formulation is introduced to make molecular dynamics (MD) calculations on systems under the most general externally applied, conditions of stress, which is well suited to the study of structural transformations in solids under external stress and at finite temperature.
Journal ArticleDOI
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Wendy D. Cornell,Piotr Cieplak,Piotr Cieplak,Christopher I. Bayly,Christopher I. Bayly,Ian R. Gould,Ian R. Gould,Kenneth M. Merz,Kenneth M. Merz,David M. Ferguson,David M. Ferguson,David C. Spellmeyer,David C. Spellmeyer,Thomas R. Fox,James W. Caldwell,Peter A. Kollman +15 more
TL;DR: Weiner et al. as mentioned in this paper derived a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucleic acids, and many related organic molecules in condensed phases.
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The Determination of the Elastic Field of an Ellipsoidal Inclusion, and Related Problems
TL;DR: In this paper, it is shown that to answer several questions of physical or engineering interest, it is necessary to know only the relatively simple elastic field inside the ellipsoid.
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