Publications related to Atomistic modeling of C-S-H: bulk and surface

Related publications (32)

Contradict mechanism of long-term magnesium and sodium sulfate attacks of nano silica-modified cement mortars - Experimental and thermodynamic modeling

The mechanisms of external sulfate attack on cement mortars containing nano silica have been studied under full immersion conditions after 3 years. The sulfate degradation processes were compared between sodium sulfate and magnesium sulfate solutions with ...

Elsevier Sci Ltd2024

Decarbonization potential of steel fibre-reinforced limestone calcined clay cement concrete one-way slabs

Hisham Tarek Mohamed Hafez, Beatrice Malchiodi

This study deals with a comparison of the environmental performance of one-way slabs utilizing steel fibrereinforced limestone calcined clay cement (LC3) concrete with the control case of Ordinary Portland cement concrete. The experimental program constitu ...

Elsevier Sci Ltd2024

The role of Zn in C-S-H atomic structure, nucleation and growth

Anna Morales Melgares

The most promising solution towards cementitious materials with a lower carbon footprint is the partial substitution of the clinker by supplementary cementitious materials (SCMs) such as fly ash, blast furnace slag, limestone and calcined clays. The produc ...

EPFL2023

Durability Challenges of Low-Grade Calcined Clay Opposed to High-Volume Fly Ash in General Purpose Concrete

Karen Scrivener

With the decrease in availability of common supplementary cementitious materials (SCMs) such as fly ash in Europe, the search for appropriate SCMs should be dealt with locally. A com-bination of abundant low-grade calcined clay and limestone powder has pro ...

AMER SOC TESTING MATERIALS2023

Going Below 50% Clinker Factor in Limestone Calcined Clay Cements (LC3): A Comparison with Pozzolanic Cements from the South American Market

Karen Scrivener, Franco Alberto Zunino Sommariva

Limestone calcined clays are a promising technology as they offer similar performance to OPC from 7 days onwards, while enabling a reduction of the clinker content of 50%. In some regions of the world like South America, pozzolanic cements (i.e., blended c ...

SPRINGER INTERNATIONAL PUBLISHING AG2023

Data-driven optimization tool for the functional, economic, and environmental properties of blended cement concrete using supplementary cementitious materials

Hisham Tarek Mohamed Hafez

The need to produce more sustainable concrete is proving imminent given the rising environmental concerns facing the industry. Blended cement concrete, based on any of the prominent supplementary cementitious materials (SCMs) such as fly ash, ground granul ...

ELSEVIER2023

Atomic-Level and Surface Structure of Calcium Silicate Hydrate Nanofoils

Karen Scrivener, Paul Bowen, Ziga Casar, Aslam Kunhi Mohamed

Deciphering the calcium silicate hydrate (C-S-H) surface is crucial for unraveling the mechanisms of cement hydration and property development. Experimental observations of C-S-H in cement systems suggest a surface termination which is fundamentally differ ...

AMER CHEMICAL SOC2023

Does carbon footprint reduction impair mechanical properties and service life of concrete?

Karen Scrivener, Diana Londoño Zuluaga

The aim of this study is to evaluate how much the changes in the concrete mix design, which enable carbon footprint reduction, are impacting mechanical properties and predicted service life of concrete structure. The starting point of this study was concre ...

SPRINGER2023

Influence of Low- to Medium-Kaolinite Clay on the Durability of Limestone Calcined Clay Cement (LC3) Concrete

Karen Scrivener

The kaolinite content is principally responsible for the durability performance of Limestone Calcined Clay Cement (LC3), which calls into question its global applicability. The clay supply has a significant impact on the LC3 system's reduced carbon footpri ...

MDPI2023

Characterisation and hydration kinetics of beta-C2S synthesised with K2SO4 as dopant

Karen Scrivener, Franco Alberto Zunino Sommariva

In this study, a protocol for synthesising beta-C2S using K2SO4 as a dopant has been reported. Quantitative X-Ray diffraction was used to characterise synthesised samples. It was observed that it is possible to synthesise beta-C2S with high purity (>96 wt% ...

Pergamon-Elsevier Science Ltd2023

Influence of temperature on phase assemblages of belite-ye'elimite cement

Karen Scrivener, Diana Londoño Zuluaga, Natechanok Chitvoranund

This paper studies the effect of temperature on the phase assemblages of belite-ye'elimite cement. A comparison is made between thermodynamic modelling and experimental data at 28 and 180 days of hydration at 5, 20, 40, and 60 degrees C. The fast reaction ...

Pergamon-Elsevier Science Ltd2023

Unidirectional penetration approach for characterizing sulfate attack mechanisms on cement mortars and pastes

Karen Scrivener, William Wilson, Qiao Wang

Degradation of cementitious materials by sulfate ions is commonly classified into chemical and physical sulfate attack. So-called "physical" attack dominates in many field situations, but laboratory testing focuses on "chemical" attack under full-immersion ...

Pergamon-Elsevier Science Ltd2023

When do Minimax-fair Learning and Empirical Risk Minimization Coincide?

Volkan Cevher

Minimax-fair machine learning minimizes the error for the worst-off group. However, empirical evidence suggests that when sophisticated models are trained with standard empirical risk minimization (ERM), they often have the same performance on the worst-of ...

2023

Thermal Conditions in Indoor Environments: Exploring the Reasoning behind Standard-Based Recommendations

Dolaana Khovalyg, Sarah Wael Ahmed Crosby

Professionals in the building design and operation fields typically look at standards and guidelines as a reliable source of information and guidance with regard to procedural, contractual, and legal scope and requirements that are relevant to accountabili ...

2023

Learning Transformations To Reduce the Geometric Shift in Object Detection

Mathieu Salzmann, Martin Pierre Engilberge, Vidit Vidit

The performance of modern object detectors drops when the test distribution differs from the training one. Most of the methods that address this focus on object appearance changes caused by, e.g., different illumination conditions, or gaps between syntheti ...

Ieee Computer Soc2023

Predicting party switching through machine learning and open data

Silvestro Micera

Parliament dynamics might seem erratic at times. Predicting future voting patterns could support policy design based on the simulation of voting scenarios. The availability of open data on legislative activities and machine learning tools might enable such ...

CELL PRESS2023

The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

Francesco Aquilante

The developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments sp ...

Washington2023

Hydration and durability of fast hardening binders incorporating supplementary cementitious materials

Sarra El Housseini

The use of supplementary cementitious materials (SCMs) is widely considered the most promis-ing approach to reduce CO2 emissions relative to cement production. SCMs are not commonly present in binders used for special applications. On the other hand, due t ...

EPFL2022

The Challenge of Grinding Ternary Blends Containing Calcined Clays and Limestone

Karen Scrivener, Franco Alberto Zunino Sommariva

The inclusion of high specific surface materials such as calcined clays in cementitious systems enhances the hydration of clinker products at very early ages, but it may also increase water demand; thus, the pursuit of a flowing concrete may demand an incr ...

MDPI2022

Nanoscale modelling of ionic transport in the porous C-S-H network

Khalil Ferjaoui

To reduce the CO2 footprint of construction materials, concrete producers blend their cement with Supplementary Cementitious Materials (SCMs). SCMs such as fly ash or blast furnace slag are mostly the byproducts of other industries. And while SCMs are chos ...

EPFL2022