Journal ArticleDOI
Reactive molecular dynamics and experimental study of graphene-cement composites: Structure, dynamics and reinforcement mechanisms
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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Flexural fatigue behaviors and damage evolution analysis of edge-oxidized graphene oxide (EOGO) reinforced concrete composites
TL;DR: In this article, the effect of edge-oxidized graphene oxide (EOGO) on flexural fatigue behaviors of concrete composites was investigated, and the results demonstrate that the fatigue performances of normal concrete and steel-fiber reinforced concrete (SFRC) are enhanced by EOGO.
Journal ArticleDOI
Nanoengineering Microstructure of Hybrid C-S-H/Silicene Gel
TL;DR: A new design strategy and synthesis route to strengthen the C-S-H interface by intercalating a silicene sheet of one-atom thick is reported, which offers an ingenuous route in turning brittle C- S-H gel into a soft gel with high tensile stress, which provides opportunities for fabricating ultrahigh performance cementitious materials.
Journal ArticleDOI
Enhanced dispersion of graphene oxide in cement matrix with isolated-dispersion strategy
TL;DR: The homogeneous dispersion of graphene oxide (GO) in cementitious materials is critical to achieve its unique properties as mentioned in this paper, based on the formation kinetic of GO aggregation and the pro...
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Effect of SCMs on the freeze-thaw performance of iron-rich phosphoaluminate cement
TL;DR: In this paper, the freeze-thaw performance of iron-rich PAC mortar was evaluated and compared with those of OPC and sulphoaluminate cement (SAC) mortars.
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A new in-situ growth strategy to achieve high performance graphene-based cement material
TL;DR: In this paper , glucose is used as a low-cost carbon source to promote the in-situ growth of graphene in the cement material, which benefits to promote hydration process, form denser microstructure and enhances the mechanical properties of cement paste.
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.