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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Journal ArticleDOI
A molecular dynamics study of silicene reinforced cement composite at different humidity: Surface structure, bonding, and mechanical properties
TL;DR: In this article, the surface structure, bonding, mechanical performance and failure mechanism of silicene reinforced calcium-silicate-hydrate composite (C-S-H/silicene) with different humidity were investigated by molecular dynamics simulations.
Journal ArticleDOI
Fabrication of Mechanical Robust Keratin composites via Mussel-inspired Surface Modification of Cellulose Nanocrystals
TL;DR: In this article , a bio-marine mussel inspired surface modification of cellulose nanocrystal and its enhanced interfacial strength toward keratin composites was developed and demonstrated for the purpose of developing high performance and fully renewable kithin composites.
Book ChapterDOI
Current Progress of Nano-Engineered Cementitious Composites
TL;DR: The application of nano science and technology in cementitious composites has been reported in the late 1980s and gets into an active period in nearly two decades as mentioned in this paper, where different strategies including manufacturing nano-cement and mineral admixtures as well as incorporating nanomaterials have been proposed to develop nano-engineered composites.
Journal ArticleDOI
Effect of BaO on mechanical and hydration characteristic of C 8 A 6 P as predominant mineral in phosphoaluminate cement
TL;DR: In this paper, the influence of BaO on the performance of C8A6P mineral phase was investigated carefully, and it was found that BaO of 17.5-20% content could endow C8a6p mineral with predominant mechanical performance.
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.
Journal ArticleDOI
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.
Journal ArticleDOI
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.
Journal ArticleDOI
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.