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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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Experimental and theoretical analysis on coupled effect of hydration, temperature and humidity in early-age cement-based materials
TL;DR: In this article, a coupled model of temperature and relative humidity (RH) was proposed to predict the early-age cracking in concrete-based materials. But, the model is not suitable for the early age of concrete and the results showed that the early change in RH is significantly affected by the large temperature change and rate of temperature change in the early ages.
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The role of admixed graphene oxide in a cement hydration system
TL;DR: In this article, the authors examined and elucidated the effect of graphene oxide on the hydration products of a cement system in detail, and found that the 28-day compressive strength of cement pastes was increased by 29% when admixing 0.02wt% GO.
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Graphene-engineered cementitious composites: Small makes a big impact
TL;DR: Graphene, a two-dimensional monoatomic thick building block of a carbon allotrope, has emerged as nano-inclusions in cementitious materials due to its distinguished mechanical, electrical, thermal properties as discussed by the authors.
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Enhancing mechanisms of multi-layer graphenes to cementitious composites
Baoguo Han,Qiaofeng Zheng,Shengwei Sun,Sufen Dong,Liqing Zhang,Xun Yu,Xun Yu,Jinping Ou,Jinping Ou +8 more
TL;DR: In this article, the authors investigated the mechanical properties and underlying enhancing mechanisms of cementitious composites filled with multi-layer graphenes (MLGs) and found that the addition of MLGs can achieve an enhancement of 54% in compressive strength and a reinforcement of 21% in flexural strength, respectively.
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Comparative evaluation on the dispersion and stability of graphene oxide in water and cement pore solution by incorporating silica fume
TL;DR: In this paper, a comparative study on the effect of silica fume (SF) on the dispersion and stability of graphene oxide (GO), one of the most popular carbon nanomaterials, in the solutions of neutral water and alkaline cement pore solutions (CPS), instead of hardened cement matrix is presented.
References
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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.
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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.