Journal ArticleDOI
Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites
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TLDR
In this paper, a multiscale scheme using molecular dynamics (MD) and finite element (FE) methods for evaluating the effective thermal conductivity of graphene epoxy nanocomposites was developed.About:
This article is published in Carbon.The article was published on 2013-08-01. It has received 135 citations till now. The article focuses on the topics: Thermal conduction & Multiscale modeling.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Thermal Conductivity of Polymer-Based Composites: Fundamentals and Applications
TL;DR: In this article, the fundamental design principles of highly thermally conductive composites were discussed and the key factors influencing the thermal conductivity of polymers, such as chain structure, crystallinity, crystal form, orientation of polymer chains, and orientation of ordered domains in both thermoplastics and thermosets were addressed.
Journal ArticleDOI
Review of thermal conductivity in composites: Mechanisms, parameters and theory
TL;DR: In this paper, theoretical and experimental aspects of thermal conductivity in composites, from thermal energy generation to heat transfers, are reviewed, and the fundamental mechanism of thermal conduction, its mathematical aspects, and certain essential parameters to be considered in this study, such as crystallinity, phonon scattering, or filler/matrix interfaces are discussed in detail.
Journal ArticleDOI
Free and forced vibrations of functionally graded polymer composite plates reinforced with graphene nanoplatelets
TL;DR: In this paper, the free and forced vibration characteristics of functionally graded multilayer graphene nanoplatelet (GPL)/polymer composite plates within the framework of the first-order shear deformation plate theory were investigated.
Journal ArticleDOI
Fracture properties prediction of clay/epoxy nanocomposites with interphase zones using a phase field model
Mohammed A. Msekh,Mohammed A. Msekh,N. H. Cuong,Goangseup Zi,Pedro M. A. Areias,Xiaoying Zhuang,Timon Rabczuk +6 more
TL;DR: In this paper, a phase field approach is employed to model fracture in the matrix and the interphase zone of the polymeric nanocomposites (PNCs) while the stiff clay platelets are considered as linear elastic material.
References
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Journal ArticleDOI
Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
TL;DR: Graphene is established as the strongest material ever measured, and atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime.
Journal ArticleDOI
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
TL;DR: In this article, the parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described, and the parameters for both torsional and non-bonded energy properties have been derived, while the bond stretching and angle bending parameters have been adopted mostly from the AMBER force field.