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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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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A critical review on research progress of graphene/cement based composites
TL;DR: A critical review on recent research findings about GND modified cement-based materials was conducted in this paper, where the influence of GND on properties of cement matrix including microstructure, hydration, mechanical properties, etc.
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Graphene-based nanosheets for stronger and more durable concrete: A review
Ezzatollah Shamsaei,Felipe Basquiroto de Souza,Xupei Yao,Emad Benhelal,Abozar Akbari,Wenhui Duan +5 more
TL;DR: Graphene and graphene-based nanosheets (GNS) possess extraordinary mechanical, chemical, thermal and electrical properties, enabling attractive applications, ranging from structural strength/durability improvement, anti-corrosion, to self-cleaning surfaces and energy saving.
Journal ArticleDOI
Experimental study of the effects of graphene oxide on microstructure and properties of cement paste composite
TL;DR: In this paper, the effects of graphene oxide on hydration degrees, macro-mechanical strength and calcium-silicate-hydrate (C-S-H) structure of cement-based composites were investigated through comprehensive experimental tests.
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Review on the research progress of cement-based and geopolymer materials modified by graphene and graphene oxide
TL;DR: In this paper, the research progress of graphene-based nanomaterials in improving the properties of cement-based materials and geopolymer materials, and points out the main challenges and development prospects of such materials in the construction field in the future.
References
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Journal ArticleDOI
Molecular Dynamics Study of Water and Ions Transported during the Nanopore Calcium Silicate Phase: Case Study of Jennite
Dongshuai Hou,Zongjin Li +1 more
TL;DR: In this article, the structural and dynamical properties of the water/ions and the jennite interface are studied by the molecular dynamics (MD) simulation method, and water molecules diffusing in the channel between silicate chains demonstrate the following structural water features: large density, good orientation preference, ordered interfacial organization, and low diffusion rate.
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Reinforcing graphene oxide/cement composite with NH2 functionalizing group
TL;DR: In this paper, pure and NH2-functionalized graphene oxide (GO) nanosheets have been added to the cement mortar with different weight percents (0.05, 0.10 wt%, 0.15 wt., 0.20 wt, and 0.25 wt%).
Journal ArticleDOI
A model of the surface of oxidatively treated carbon fibre based on calculations of adsorption interactions with small molecules
TL;DR: In this paper, the average energies of interaction between the carbon fiber surfaces and adsorbates have been calculated using the SORPTION™ computer algorithm using force-field techniques to simulate the adsorption of small molecules onto the surface of functionalised carbon fibres.