Review of research on micromechanical properties of cement-based materials based on molecular dynamics simulation
J Xu, X Chen, G Yang, X Niu, F Chang… - … and Building Materials, 2021 - Elsevier
The research on the strength, deformation and failure process of materials should be
implemented on the atomic scale to study the interaction between atoms. Molecular …
implemented on the atomic scale to study the interaction between atoms. Molecular …
State of the art in composition, fabrication, characterization, and modeling methods of cement-based thermoelectric materials for low-temperature applications
X Liu, R Jani, E Orisakwe, C Johnston… - … and Sustainable Energy …, 2021 - Elsevier
The worldwide energy crisis and environmental deterioration are probably humanity's
greatest challenges. Thermoelectricity, which allows for the mutual conversion between …
greatest challenges. Thermoelectricity, which allows for the mutual conversion between …
Influence of the Ca/Si ratio on the compressive strength of cementitious calcium–silicate–hydrate binders
W Kunther, S Ferreiro, J Skibsted - Journal of Materials Chemistry A, 2017 - pubs.rsc.org
The relation between the chemical composition of calcium–silicate–hydrate (C–S–H)
phases and its influence on the compressive strength of cementitious materials is …
phases and its influence on the compressive strength of cementitious materials is …
Influences of cross-linking and Al incorporation on the intrinsic mechanical properties of tobermorite
Tobermorite is the model for calcium aluminosilicate hydrate (C-(A-) SH), the glue in
concrete, and is also the binding phase in cement-based materials under geological …
concrete, and is also the binding phase in cement-based materials under geological …
Physico-mechanical performance and durability of artificial lightweight aggregates synthesized by cementing and geopolymerization
This study encompasses production of lightweight aggregates (LWAs) through cold bonded
pelletization using two different industrial by-products; coal fly ash (FA) and ground …
pelletization using two different industrial by-products; coal fly ash (FA) and ground …
Mechanical properties of CSH globules and interfaces by molecular dynamics simulation
D Fan, S Yang - Construction and Building Materials, 2018 - Elsevier
Abstract At meso-scale, Calcium Silicate Hydrate (CSH) can be considered as randomly
packed globules (about 4.2 nm), which forms the basic unit cell, with water molecules and …
packed globules (about 4.2 nm), which forms the basic unit cell, with water molecules and …
Coordination environment of Si in calcium silicate hydrates, silicate minerals, and blast furnace slags: A XANES database
Understanding the silicate polymerization of calcium silicate hydrate (CSH) gel and its
crystalline polymorphs is important in cement science. NMR can determine Si environments …
crystalline polymorphs is important in cement science. NMR can determine Si environments …
[HTML][HTML] Ab-initio investigation of the fundamental properties of metals (X= Be, Mg, and Ca) encapsulated CsXO3 tin-based perovskite materials
Perovskite material are widely used in Solar cell device due to it promising properties and
power conversion efficiencies (PCE). Most importantly, properties of the absorber layer such …
power conversion efficiencies (PCE). Most importantly, properties of the absorber layer such …
[HTML][HTML] Importance of amorphous content, surface energy, and preferred orientation on the accurate quantification of cement minerals in clinkers
In this study, a quantitative phase analysis of nine different clinkers was performed using X-
ray diffraction (XRD). Density function theory simulation was also used to support the …
ray diffraction (XRD). Density function theory simulation was also used to support the …
Alkali silica reaction: A view from the nanoscale
R Dupuis, RJM Pellenq - Cement and Concrete Research, 2022 - Elsevier
Understanding the formation of Alkali-silica reaction gel (ASR gel) and its behavior in
cement pore network solutions is the key to mitigate one of the main causes of the strength …
cement pore network solutions is the key to mitigate one of the main causes of the strength …