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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Insight into the local C-S-H structure and its evolution mechanism controlled by curing regime and Ca/Si ratio
TL;DR: In this article , the effect of high temperature and pressure on the microstructural evolution of C-S-H lacks a systematic study, and the structural and morphological features of C S-H with Ca/Si ratios of 0.83, 1.0, and 1.5, synthesised by calcium oxide and fumed silica curing under steam (80 °C and autoclaving (180 °C, 1 MPa) conditions were investigated, where a room temperature (25 °C) curing was used as a reference.
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Electrochemically produced graphene with ultra large particles enhances mechanical properties of Portland cement mortar
Van Dac Ho,Ching-Tai Ng,Campbell J. Coghlan,Andy Goodwin,Craig Mc Guckin,Togay Ozbakkaloglu,Dusan Losic +6 more
TL;DR: In this paper, the effects of the dosages of pristine graphene (PRG) on compressive and tensile strength of cement mortars are presented. And the results suggest that industrially produced pristine graphene by electrochemical process is a promising additive for improving performances of construction materials. But, with the further increases in PRG contents, the enhancement of mechanical properties of mortars is limited due to the impact of the van der Waals force on the sedimentation of PRG suspension.
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Mechanical and thermal properties of graphene sulfonate nanosheet reinforced sacrificial concrete at elevated temperatures
TL;DR: In this paper, the microstructure, porosity, mechanical strengths, thermal analysis, coefficient of thermal expansion, thermal diffusivity and ablation behavior of sacrificial concrete during exposure to various temperatures up to 1000 °C were comprehensively investigated.
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Graphene-Based Cementitious Composites: Toward Next-Generation Construction Technologies
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Studies on combined effects of graphene oxide-fly ash hybrid on the workability, mechanical performance and pore structures of cementitious grouting under high W/C ratio
TL;DR: In this article, the industrial by-products fly ash combining with graphene oxide (GO) can be used as a substitute for binder materials to reduce the amount of cement in grouting pastes.
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.