Journal of the Chinese Ceramic Society, Volume. 51, Issue 5, 1154(2023)

Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate

QIAO Gang... WANG Pan, HOU Dongshuai, JIN Zuquan and LI Shaochun |Show fewer author(s)
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    References(9)

    [3] [3] HOU D S, YANG Q R, WANG P, et al. Unraveling disadhesion mechanism of epoxy/CSH interface under aggressive conditions[J]. Cem Concr Res, 2021, 146: 106489.

    [4] [4] HOU D S, ZHANG W, SUN M, et al. Modified Lucas-Washburn function of capillary transport in the calcium silicate hydrate gel pore: A coarse-grained molecular dynamics study[J]. Cem Concr Res, 2020, 136: 106166.

    [5] [5] HOU D, WU C, YANG Q, et al. Insights on the molecular structure evolution for tricalcium silicate and slag composite: From 29Si and 27Al NMR to molecular dynamics[J]. Compos Pt B Eng, 2020, 202(1): 108401.

    [6] [6] WANG P, QIAO G, GUO Y P, et al. Molecular dynamics simulation of the interfacial bonding properties between graphene oxide and calcium silicate hydrate[J]. Constr Build Mater, 2020, 260(10): 119927.

    [8] [8] INDUKURI C S R, NERELLA R, MADDURU S R C. Effect of graphene oxide on microstructure and strengthened properties of fly ash and silica fume based cement composites[J]. Constr Build Mater, 2019, 229(30): 116863.

    [10] [10] WANG P, QIAO G, ZHANG Y, et al. Molecular dynamics simulation study on interfacial shear strength between calcium-silicate-hydrate and polymer fibers[J]. Constr Build Mater, 2020, 257(10): 119557.

    [11] [11] CHEN B M, QIAO G, HOU D S, et al. Cement-based material modified by in-situ polymerization: From experiments to molecular dynamics investigation[J]. Compos Pt B Eng, 2020, 194(1): 108036.

    [23] [23] THOMPSON A P, AKTULGA H M, BERGER R, et al. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales[J]. Comput Phys Commun, 2022, 271: 108171.

    [26] [26] HOU D S, QIAO G, WANG P. Molecular dynamics study on water and ions transport mechanism in nanometer channel of 13X zeolite[J]. Chem Eng J, 2021, 420(15): 129975.

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    QIAO Gang, WANG Pan, HOU Dongshuai, JIN Zuquan, LI Shaochun. Reactive Molecular Dynamic Simulation of Graphene Oxide Enhanced Calcium Silicate Aluminate Hydrate[J]. Journal of the Chinese Ceramic Society, 2023, 51(5): 1154

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    Paper Information

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    Received: Aug. 4, 2022

    Accepted: --

    Published Online: Aug. 13, 2023

    The Author Email:

    DOI:

    CSTR:32186.14.

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