[HTML][HTML] A comprehensive review of CSH empirical and computational models, their applications, and practical aspects

E Duque-Redondo, PA Bonnaud, H Manzano - Cement and Concrete …, 2022 - Elsevier
The CSH gel is an elusive material. Its variable composition and disordered nature
complicate a complete characterization of its atomic structure, and the elaboration of models …

The role of organic polymer modifiers in cementitious systems towards durable and resilient infrastructures: a systematic review

NP Tran, TN Nguyen, TD Ngo - Construction and Building Materials, 2022 - Elsevier
With the deterioration and ageing of concrete structures, repair and rehabilitation have
emerged as one of the most critical activities associated with high maintenance costs. One of …

Multi-layered cement-hydrogel composite with high toughness, low thermal conductivity, and self-healing capability

Y Chen, Y Zheng, Y Zhou, W Zhang, W Li… - nature …, 2023 - nature.com
The inherent quasi-brittleness of cement-based materials, due to the disorder of their
hydration products and pore structures, present significant challenges for directional matrix …

[HTML][HTML] Molecular dynamics modeling of the structure, dynamics, energetics and mechanical properties of cement-polymer nanocomposite

D Hou, J Yu, P Wang - Composites Part B: Engineering, 2019 - Elsevier
Efforts to tune the performance of organic/inorganic composites are hindered owing to a lack
of knowledge related to the interfacial interaction mechanisms. Here we investigated the …

Toward self-healing concrete infrastructure: review of experiments and simulations across scales

MT Nguyen, CA Fernandez, MM Haider… - Chemical …, 2023 - ACS Publications
Cement and concrete are vital materials used to construct durable habitats and infrastructure
that withstand natural and human-caused disasters. Still, concrete cracking imposes …

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 …

A deep learning potential applied in tobermorite phases and extended to calcium silicate hydrates

Y Zhou, H Zheng, W Li, T Ma, C Miao - Cement and Concrete Research, 2022 - Elsevier
Based on the datasets of first-principle simulations, machine learning potentials (MLPs) can
achieve both accurate predictions of complex material systems and high-efficiency …

Enhancing the PVA fiber-matrix interface properties in ultra high performance concrete: An experimental and molecular dynamics study

Y Zhou, J Huang, X Yang, Y Dong, T Feng… - Construction and Building …, 2021 - Elsevier
The interface properties largely determine the improvement effect of fibers on the cement-
based matrix. In this work, nano-silica particles are employed to treat PVA fibers using a sol …

Atomistic simulation of polymer-cement interactions: Progress and research challenges

AA Bahraq, MA Al-Osta, OSB Al-Amoudi… - … and Building Materials, 2022 - Elsevier
Composites are commonly used in engineering applications. One example is the polymer-
cement composites, where the polymers are used to modify/reinforce the cement mortar and …

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 …