[HTML][HTML] A comprehensive review of CSH empirical and computational models, their applications, and practical aspects
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 …
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
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 …
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
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 …
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 …
of knowledge related to the interfacial interaction mechanisms. Here we investigated the …
Toward self-healing concrete infrastructure: review of experiments and simulations across scales
Cement and concrete are vital materials used to construct durable habitats and infrastructure
that withstand natural and human-caused disasters. Still, concrete cracking imposes …
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 …
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
Based on the datasets of first-principle simulations, machine learning potentials (MLPs) can
achieve both accurate predictions of complex material systems and high-efficiency …
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
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 …
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
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 …
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 …
have been poorly known in the field of the interfacial characteristics of geopolymer/steel-slag …