相关论文: On the global hydration kinetics of tricalcium sil…
The incorporation of nanosilica in cementitious systems helps in accelerating the cement hydration process and early-stage formation of the main hydration product, that is, calcium silicate hydrate. Nanosilica reacts with the other key…
Analysis of the mechanical properties of key phases of cementitious systems during hydration at the nanoscale is vital for a better understanding of the type and formation of key cement hydration phases. In this work, nanoindentation…
The roles of applied strain and temperature on the hydration dynamics of cement paste are uncovered in the present study. We find that the system hardens over time through two different aging processes. The first process dominates the…
We use {\it ab initio} molecular dynamics simulations to study a sample of liquid silica containing 3.84 wt.% H$_2$O.We find that, for temperatures of 3000 K and 3500 K,water is almost exclusively dissolved as hydroxyl groups, the silica…
Like many others, silicate solids dissolve when placed in contact with water. In a given aqueous environment, the dissolution rate depends highly on the composition and the structure of the solid, and can span several orders of magnitude.…
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…
Cement is one of the most produced materials in the world. A major player in greenhouse gas emissions, it is the main binding agent in concrete, to which it provides a cohesive strength that rapidly increases during setting. Understanding…
Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles of diameter 3.2 nm immersed in a background electrolyte. Mean forces acting between the pair of silica nanoparticles were extracted at four…
Celitement is a new type of cement that is based on hydraulic calcium-hydrosilicate (hCHS) that possesses a potential for minimizing the ratio C/S from above 3 in OPC down to 1, which significantly reduces the amount of CO$_2$ released…
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as…
Calcium silicate hydrates (C-S-H), the main components of hydrated cement, are known for being responsible of its cohesion. In this respect, they act as "glue" for the other solid components of mortar or concrete and thus strongly influence…
The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and…
From soft polymeric gels to hardened cement paste, amorphous solids under constant load exhibit a pronounced time-dependent deformation called creep. The microscopic mechanism of such a phenomenon is poorly understood in amorphous materials…
Arguably the most ubiquitous construction material in modern civilization, concrete is enabling the development of megacities around the globe together with increasing living standards in developing nations. However, it can be argued that…
Silicate frameworks exhibit diverse structural responses under extreme conditions, which are strongly influenced by hydration. Here, we present a comparative high-pressure synchrotron X-ray diffraction study of Na2ZrSi2O7 and its hydrated…
Existence of strongly bound water molecules on silicate surfaces, above the desorption temperature of water ice, has been first predicted by computational studies and recently demonstrated by laboratory experiments. Such trapped water may…
When humidified at different moisture conditions, restrained spider silk fibers can exhibit a very high supercontraction phenomenon. The hydration water molecules induce a Hydrogen-bonds disruption process that, due to entropic effects,…
The gelation kinetics of silica nanoparticles is a central process in physical chemistry, yet it is not fully understood. Gelation times are measured to increase by over 4 orders of magnitude, simply changing the monovalent salt species…
The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO32- with n =…
We investigated the vibrational dynamics and the structural relaxation of water nanoconfined in porous silica samples with pore size of 4 nm at different levels of hydration and temperature. We used as spectroscopic technique the…