Advances in atomistic modeling and understanding of drying shrinkage in cementitious materials

MJA Qomi, L Brochard, T Honorio, I Maruyama… - Cement and Concrete …, 2021 - Elsevier
Despite more than a century of research, drying shrinkage still causes unwanted stresses
and cracks in our concrete infrastructures. This is partly due to the lack of understanding of …

Influence of nucleation seeding on the hydration mechanisms of tricalcium silicate and cement

JJ Thomas, HM Jennings, JJ Chen - The Journal of Physical …, 2009 - ACS Publications
The fundamental chemical hydration process of portland cement and its main mineral
component, tricalcium silicate, was studied by investigating the effects of various additives. A …

Roadmap across the mesoscale for durable and sustainable cement paste–A bioinspired approach

SD Palkovic, DB Brommer, K Kupwade-Patil… - … and Building Materials, 2016 - Elsevier
In recent years, continuum and atomistic modeling of cementitious materials has provided
significant advances towards studying the durability of civil infrastructure. An important …

Studying nucleation and growth kinetics of alite hydration using μic

S Bishnoi, KL Scrivener - Cement and Concrete Research, 2009 - Elsevier
This paper investigates the applicability of nucleation and growth mechanisms to the
hydration of alite. Various possible mechanisms of nucleation and growth were simulated …

Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates

MJA Qomi, M Bauchy, FJ Ulm… - The Journal of chemical …, 2014 - pubs.aip.org
With shear interest in nanoporous materials, the ultraconfining interlayer spacing of calcium–
silicate–hydrate (C–S–H) provides an excellent medium to study reactivity, structure, and …

Microstructure determination of calcium-silicate-hydrate globules by small-angle neutron scattering

WS Chiang, E Fratini, P Baglioni, D Liu… - The Journal of Physical …, 2012 - ACS Publications
The basic building block of calcium-silicate-hydrate (C–S–H) gel, which is the major
hydration product of a commercial Portland cement paste, is usually referred as “globule” in …

Water dynamics in hardened ordinary Portland cement paste or concrete: from quasielastic neutron scattering

HN Bordallo, LP Aldridge… - The Journal of Physical …, 2006 - ACS Publications
Portland cement reacts with water to form an amorphous paste through a chemical reaction
called hydration. In concrete the formation of pastes causes the mix to harden and gain …

Water motion in reverse micelles studied by quasielastic neutron scattering and molecular dynamics simulations

MR Harpham, BM Ladanyi, NE Levinger… - The Journal of chemical …, 2004 - pubs.aip.org
In the appropriate concentration range, three-component systems of polar, nonpolar and
amphiphilic molecules can result in isolated nanoscopic droplets of the polar phase …

Multi-scale study water and ions transport in the cement-based materials: from molecular dynamics to random walk

W Zhang, D Hou, H Ma - Microporous and Mesoporous Materials, 2021 - Elsevier
The transport properties of water and ions play a key role in the durability of cement-based
materials. However, little work has been done to study the diffusion behaviors of water and …

Cement: A two thousand year old nano-colloid

F Ridi, E Fratini, P Baglioni - Journal of colloid and interface science, 2011 - Elsevier
Since Roman times, cement is one of the synthetic materials with the largest production and
usage by mankind. Its properties allowed the expansion of the Roman Empire and the …