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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Stress-sensitivity of carbon nanotube-grafted-carbon fiber incorporated cement-based composites
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Influence of off-spec fly ash and surfactant-coated nano-iron-oxide on the fresh and hardened properties of cement pastes: An exploratory study
TL;DR: In this paper , the influence of the off-spec fly ash (FA) and surfactant-coated nano-ironoxide (SNI) solution on the fresh and hardened properties of cement pastes was investigated.
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Using Graphene Sulfonate Nanosheets to Improve the Properties of Siliceous Sacrificial Materials: An Experimental and Molecular Dynamics Study.
TL;DR: The effects of graphene sulfonate nanosheets (GSNSs) on sacrificial cement paste and mortar and other siliceous sacrificial materials, especially their ablation behaviors and mechanical properties are studied.
An electronic textile embedded smart cementitious composite
Muhammad Irfan,Muhammad A. Ali,Kamran A. Khan,Rehan Umer,Antonios Kanellopoulos,Yarjan Abdul Samad +5 more
TL;DR: In this paper, an open-access article under the terms of the Creative Commons Attribution License is presented, where the authors present a set of open access engineering reports published by John Wiley & Sons Ltd.
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Enhancement of heat-cured cement paste with tannic acid
TL;DR: In this article , the effect of tannic acid (TA) on the performance of heat-cured cement pastes was investigated, and the authors showed that adding less than 0.025% TA can reduce the compressive and flexural strength of the pastes by up to 3.4% and 17.4%, respectively.
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.