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Nanocrystalline Structure of Calcium Aluminate Silicate Hydrate

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posted on 2025-05-03, 07:41 authored by Yunjian LiYunjian Li, Cheng ChenCheng Chen, Zhenning li, Zongjin Li

The Structure.zip includes files and information for the 1600 structures mentioned in the article. The Travis Result.zip contains the results of processing the trajectories using TRAVIS. The Equilibrium Structure.zip contains 160 structures that have been minimized and equilibrated through molecular dynamics, and mechanical tests were conducted based on these structures.

Funding

The Macao Science and Technology Development Fund (FDCT) (Grants No. 0074/2023/RIB3 and 0139/2024/RIB2) and the Macau University of Science and Technology Faculty Research Grant (Grant No. FRG-24-085-FIE).

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    calcium aluminate silicate hydratenanocrystalline structuresMolecular dynamics

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    CC BY 4.0

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