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Atomistic Simulations of The Structure of Calcium Silicate Hydrates: Interlayer Positions, Water Content And A General Structural Brick Model

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Accurate and efficient simulation of liquids, such as water and salt solutions, using high-level wave function theories is still a formidable task for computational chemists owing to the high computational costs. In this study, we develop a deep machine le ...

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The effect of alkali hydroxides and equilibration time on Al uptake by calcium silicate hydrates (C-S-H)

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Cement production accounts for approximately 8% of man-made CO2 emissions. Lowering these CO2 emissions is currently one of the most important and urgent research topics within the cement community. To reduce these emissions, the Portland cement (PC) is pa ...

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This study investigates the difference between the reactivity of slag in NaOH solution (w/s = 100) and in cement paste (w/b = 0.4). The reactivity of slag is much higher in NaOH solution than in cement paste. When the NaOH solution is saturated with portla ...

PERGAMON-ELSEVIER SCIENCE LTD2021

PUS3 encodes the pseudouridylate synthase 3, an enzyme catalyzing the formation of tRNA pseudouridine, which plays a critical role in tRNA structure, function, and stability. Biallelic pathogenic variants of PUS3 have been previously associated with severe ...

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Defect engineered nanostructured LaFeO3 photoanodes for improved activity in solar water oxidation

Kevin Sivula, Mounir Driss Mensi, Liang Yao, Nestor Guijarro Carratala, Yongpeng Liu, Xavier Pereira Da Costa

LaFeO3 (LFO) is recognized as a candidate material for solar water oxidation, but its photoelectrochemical response remains modest and stagnant. With the aim of advancing LFO photoanodes for the oxygen evolution reaction (OER), here, a nanorod array-type e ...

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Multi-scale investigation on mechanical behavior and microstructural alteration of C-S-H in carbonated Alite paste

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Carbonation treatment is a promising option to enhance recycled concrete aggregate (RCA) quality and eventually improve concrete performance. This study investigated the multi-scale mechanical properties of calcium silicate hydrates (C-S-H) in a mature ali ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Limestone calcined clay cements (LC3): raw material processing, sulfate balance and hydration kinetics

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Limestone calcined clay cements (LC3) are blended cements that combine clinker, limestone, calcined clay and gypsum. The availability of the materials required to produce LC3 and the good performance that it achieves, makes LC3 suitable as a sustainable re ...

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Maximizing the use of supplementary cementitious materials (SCMs) in blended cements

Yosra Briki

Partial replacement of clinker with supplementary cementitious materials (SCMs) is an effective approach to reduce CO2 emissions related to cement production. However, there is a maximum substitution level with SCMs beyond which strength decreases. The und ...

EPFL2020

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Two-dimensional (2D) nanosheets have emerged as promising functional materials owing to their atomic thickness and unique physical/chemical properties. By using 2D nanosheets as building blocks, diverse kinds of two-dimensional nanochannel membranes (2DNCM ...

ROYAL SOC CHEMISTRY2020

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We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in supercell calculations. The method accounts on an equal footing for the screening ...

2020