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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Molecular insight into the fluidity of cement pastes: Nano-boundary lubrication of cementitious materials
TL;DR: In this article , the authors used density function theory (DFT) to construct a shear model of Calcium-Silicate-Hydrate (C-S-H) layers.
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Tunable, Multifunctional Ceramic Composites via Intercalation of Fused Graphene Boron Nitride Nanosheets
Ehsan Hosseini,Mohammad Zakertabrizi,Asghar Habibnejad Korayem,Asghar Habibnejad Korayem,Rouzbeh Shahsavari +4 more
TL;DR: The results demonstrate that GBN is more water-soluble than graphene and hexagonal boron nitride (h-BN), making it a preferred choice for slurry preparation and resultant intercalations, and provide key guidelines for synthesizing next generation of multifunctional bilayer ceramics with remarkable properties on demand.
Journal ArticleDOI
Physicochemical and Piezoresistive properties of smart cementitious composites with graphene nanoplates and graphite plates
TL;DR: In this paper, the effects of graphite plate (GP) and graphene nanoplate (GNP) on physicochemical, mechanical and piezoresistive properties of cementitious composite were investigated.
Journal ArticleDOI
Micro- and meso-structural changes on electrically cured ultra-high performance fiber-reinforced concrete with dispersed carbon nanotubes
TL;DR: In this article, the authors investigated the potential application of electrical curing method on ultra-high performance fiber-reinforced concrete (UHPFRC) by incorporating carbon nanotubes (CNTs) and resulting structural changes in micro- and meso-scale.
Journal ArticleDOI
High performance cementitious nanocomposites: The effectiveness of nano-Graphite (nG)
Mehdi Chougan,Mehdi Chougan,E Marotta,F.R. Lamastra,Francesco Vivio,Giampiero Montesperelli,Ugo Ianniruberto,Seyed Hamidreza Ghaffar,Mazen J. Al-Kheetan,Alessandra Bianco +9 more
TL;DR: In this article, an extensive experimental campaign has been conducted on mortars modified with nano-graphite (nG) aimed to assess the properties of the resulting nanocomposites in terms of density, microstructure, flexural and compressive strength, damping ratio, thermal and electrical conductivity permeability properties were also investigated in the initial surface absorption, water contact angle, volume of permeable voids and chloride ion diffusion.
References
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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.