Molecular simulation of calcium-silicate-hydrate and its applications: a comprehensive review
Q Luo, Y **ang, Q Yang, T Liang, Y **e - Construction and Building …, 2023 - Elsevier
Calcium silicate hydrate (CSH) is a crucial component in cementitious materials which
greatly contributes to the strength and properties of cement-based concrete. However …
greatly contributes to the strength and properties of cement-based concrete. However …
[HTML][HTML] Molecular simulation of cement-based materials and their properties
Hydrated cement is one of the complex composite systems due to the presence of multi-
scale phases with varying morphologies. Calcium silicate hydrate, which is the principal …
scale phases with varying morphologies. Calcium silicate hydrate, which is the principal …
Understanding geopolymer binder-aggregate interfacial characteristics at molecular level
The interfacial characteristics of geopolymer binder to aggregate composites are poorly
understood, especially at molecular level. Herein, molecular models are developed to study …
understood, especially at molecular level. Herein, molecular models are developed to study …
Combining experiments and molecular dynamics simulations to investigate the effects of water on the structure and mechanical properties of a coal gangue-based …
N Mao, D Wu, K Chen, K Cao, J Huang - Construction and Building …, 2023 - Elsevier
The effects of water on the structure and mechanical properties of a coal gangue-based
geopolymer were investigated experimentally and compared with the results of molecular …
geopolymer were investigated experimentally and compared with the results of molecular …
[HTML][HTML] A comprehensive micro-nano investigative approach to study the development of aluminosilicate gel in binary blends of lithium slag geopolymer
This study extensively investigates the formation of aluminosilicate gel in binary blends of
lithium slag geopolymer (LSG) containing fly ash and silica fume. A comprehensive analysis …
lithium slag geopolymer (LSG) containing fly ash and silica fume. A comprehensive analysis …
Interfacial characteristics and mechanical behaviors of geopolymer binder with steel slag aggregate: insights from molecular dynamics
Z Tian, Z Zhang, H Liu, W Zheng, X Tang… - Journal of Cleaner …, 2022 - Elsevier
As a promising sustainable building material, geopolymer/steel-slag composite materials
have been poorly known in the field of the interfacial characteristics of geopolymer/steel-slag …
have been poorly known in the field of the interfacial characteristics of geopolymer/steel-slag …
Tuning interfacial structure and mechanical properties of graphene oxide sheets/polymer nanocomposites by controlling functional groups of polymer
Y Zhang, Q Zhang, D Hou, J Zhang - Applied Surface Science, 2020 - Elsevier
A wide kinds of polymers have been reported to be reinforced by graphene oxide (GO) to
achieve remarkable mechanical properties, which highly depends upon polymer/GO …
achieve remarkable mechanical properties, which highly depends upon polymer/GO …
Carbon nanotube-geopolymer nanocomposites: a molecular dynamics study of the influence of interfacial chemical bonding upon the structural and mechanical …
Although carbon nanotube (CNT) is an excellent additive in geopolymer, the effect of its
chemical bonding at interfaces is not well understood. This paper explores the effects of …
chemical bonding at interfaces is not well understood. This paper explores the effects of …
Using silica fume based activator in sustainable geopolymer binder for building application
The effectiveness of using silica fume based sodium silicate in the production of metakaolin
(MK) and ground granulated blast furnace slag (GGBS) based geopolymer was investigated …
(MK) and ground granulated blast furnace slag (GGBS) based geopolymer was investigated …
Structural and mechanical properties of geopolymers made of aluminosilicate powder with different SiO2/Al2O3 ratio: Molecular dynamics simulation and …
R Wang, J Wang, T Dong, G Ouyang - Construction and Building Materials, 2020 - Elsevier
In this study, the impacts of different SiO 2/Al 2 O 3 ratio on the molecular structural and
mechanical properties of geopolymer were investigated by molecular dynamics and …
mechanical properties of geopolymer were investigated by molecular dynamics and …