Journal ArticleDOI
Reactive molecular dynamics and experimental study of graphene-cement composites: Structure, dynamics and reinforcement mechanisms
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TLDR
In this article, the effects of graphene and graphene oxide on the hydration, microstructures and mechanical properties of cement paste were investigated by using reactive force field molecular dynamics (MD), revealing that functional hydroxyl groups in GO provide non-bridging oxygen (NBO) sites that accept hydrogen-bonds of interlayer water molecules in the calcium silicate hydrate (CSH).About:
This article is published in Carbon.The article was published on 2017-05-01. It has received 278 citations till now. The article focuses on the topics: Calcium silicate hydrate & Graphene.read more
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A Holistic Review of Cement Composites Reinforced with Graphene Oxide
TL;DR: In this article, a holistic review of the research in the field of cement composites reinforced with graphene oxide (GO) is presented, with a focus on workability, mechanical properties, durability and other issues when adding GO into cementitious materials.
Journal ArticleDOI
Early-age interaction mechanism between the graphene oxide and cement hydrates
TL;DR: In this paper, the early-age physical adsorption and chemical interactions between the GO and cement hydrates were investigated, which have a great influence on the hydration development, microstructures and drying shrinkage of the GO modified cement paste.
A study of the effect of plasma treatment on the interfacial properties of carbon fibre–thermoplastic composites
Miguel A. Montes-Morán,F. W. J. van Hattum,João Pedro Nunes,A. Martínez-Alonso,Juan M.D. Tascón,C. A. Bernardo +5 more
TL;DR: G1RD-CT-2002-00747 as discussed by the authors, Proc. MAT2002-00341, p.423/ESPANHA, Proc.MAT2002-0341.
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Modified Lucas-Washburn function of capillary transport in the calcium silicate hydrate gel pore: A coarse-grained molecular dynamics study
TL;DR: In this article, a new capillary transport model is proposed by modifying the classic L-W function, taking into consideration the effects of dynamic contact angle and inertia force, slip length next to interior walls of gel pore and viscosity variation for liquid ultra-confined in nanopores.
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An intensive review on the role of graphene oxide in cement-based materials
TL;DR: In this paper, a review on the reinforcing effects and mechanisms of GO on cement composites by consulting a lot of correlative literature, mainly focusing on the following aspects: (I) the dispersion issue of GO in the alkaline cement paste; (II) the effects of the GO on the macro-performance (workability, mechanical strength, and durability) of cement composite materials; (III) the reinforcing mechanisms of the materials including hydration kinetics, C-S-H structure, pore structure, and interfacial bonding with cement matrix.
References
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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.
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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.
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Processable aqueous dispersions of graphene nanosheets
TL;DR: It is reported that chemically converted graphene sheets obtained from graphite can readily form stable aqueous colloids through electrostatic stabilization, making it possible to process graphene materials using low-cost solution processing techniques, opening up enormous opportunities to use this unique carbon nanostructure for many technological applications.
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A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
Donald W. Brenner,Olga Shenderova,Judith A. Harrison,Steven J. Stuart,Boris Ni,Susan B. Sinnott +5 more
TL;DR: Brenner as mentioned in this paper presented a second generation potential energy function for solid carbon and hydrocarbon molecules that is based on an empirical bond order formalism, allowing for covalent bond breaking and forming with associated changes in atomic hybridization within a classical potential, producing a powerful method for modelling complex chemistry in large many-atom systems.