Publications by Aslam Kunhi Mohamed

Advances in hydration and thermodynamics of cementitious systems

Patrick Juilland, Karen Scrivener, Aslam Kunhi Mohamed, Thomas Matschei, Fabien Jacques Michel Georget

Optimising the hydration of cementitious materials is crucial to leverage their full potential and avoid wasting resources, embodied energy and CO2. Understanding the fundamental mechanisms is key to reach these objectives. In this paper, we review progres ...

Pergamon-Elsevier Science Ltd2023

Atomic-Level and Surface Structure of Calcium Silicate Hydrate Nanofoils

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

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

The Atomic-Level Structure of Cementitious Calcium Aluminate Silicate Hydrate

Paul Bowen, Karen Scrivener, Aslam Kunhi Mohamed, Jirawan Siramanont, David Lyndon Emsley, Brennan James Walder, Maya Nicole Harris, Pierrick Berruyer, Pinelopi Moutzouri, Mattia Negroni

Despite use of blended cements containing significant amounts of aluminum for over 30 years, the structural nature of aluminum in the main hydration product, calcium aluminate silicate hydrate (C-A-S-H), remains elusive. Using first-principles calculations ...

2020

Advances in understanding cement hydration mechanisms

Patrick Juilland, Karen Scrivener, Aslam Kunhi Mohamed, Alexandre Reda Constantin William Caleb Ouzia

Progress in understanding hydration mechanisms of alite and Portland cement is reviewed. Up to the end of the induction period, dissolution rates determined by the undersaturation of the solution dominate the reaction, but, better understanding is needed a ...

Pergamon-Elsevier Science Ltd2019

An atomistic building block description of C-S-H - Towards a realistic C-S-H model

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed

Pergamon-Elsevier Science Ltd2018

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

Aslam Kunhi Mohamed

Portland cement has been in use by human civilization for over a century. Yet, we do not fully understand its hydration reaction mechanisms due to the complexity of the system and its continued reaction over time making it hard to study it experimentally. ...

EPFL2018

The Atomic-Level Structure of Cementitious Calcium Silicate Hydrate

Paul Bowen, Karen Scrivener, Aslam Kunhi Mohamed, Abhishek Kumar, David Lyndon Emsley, Aaron James Rossini, Albert Hofstetter, Bhuvanesh Srinivasan, Brennan James Walder

Efforts to tune the bulk physical properties of concrete are hindered by a lack of knowledge related to the atomic-level structure and growth of calcium silicate hydrate phases, which form about 50-60% by volume of cement paste. Here we describe the first ...

2017

A discussion on the paper "Role of porosity on the stiffness and stability of (001) surface of the nanogranular C-S-H gel"

Paul Bowen, Aslam Kunhi Mohamed

This paper is a discussion of a recent publication by Sekkal and coworkers, which investigated the elasticity, cohesion, and stability of the C-S-H (001) surface as a function of porosity using molecular dynamics simulations. In our discussion, we highligh ...

Pergamon-Elsevier Science Ltd2017

cemff: A force field database for cementitious materials including validations, applications and opportunities

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed, David Geissbühler

This paper reviews atomistic force field parameterizations for molecular simulations of cementitious minerals, such as tricalcium silicate (C3S), portlandite (CH), tobermorites (model C-S-H). Computational techniques applied to these materials include clas ...

Pergamon-Elsevier Science Ltd2017

Atomistic Simulations of Silicate Species Interaction with Portlandite Surfaces

Paul Bowen, Sandra Caroline Galmarini, Aslam Kunhi Mohamed

Portlandite (Ca(OH)(2), CH) is the second most abundant hydrate formed in the reaction of Portland cement with water, making it an important component in the built environment. Formation of CH is closely linked to the growth of the main hydrate phase, calc ...

American Chemical Society2016