[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 …

Multiscale microstructure and micromechanical properties of alkali-activated concrete: A critical review

W Tu, M Zhang - Cement and Concrete Composites, 2024 - Elsevier
With the rapid development of alkali-activated concrete (AAC) as a promising sustainable
concrete, it is vital to thoroughly understand the microstructural characteristics and …

Nanotechnology in concrete–a review

F Sanchez, K Sobolev - Construction and building materials, 2010 - Elsevier
This paper reviews the state of the field of nanotechnology in concrete. Definitions of
nanotechnology, including nanoscience and nano-engineering in concrete, are provided …

[HTML][HTML] Molecular dynamics simulation in concrete research: A systematic review of techniques, models and future directions

S Barbhuiya, BB Das - Journal of Building Engineering, 2023 - Elsevier
This paper presents a comprehensive review of the application of molecular dynamics
simulation in concrete research. The study addresses the background and significance of …

cemff: A force field database for cementitious materials including validations, applications and opportunities

RK Mishra, AK Mohamed, D Geissbühler… - Cement and Concrete …, 2017 - Elsevier
This paper reviews atomistic force field parameterizations for molecular simulations of
cementitious minerals, such as tricalcium silicate (C 3 S), portlandite (CH), tobermorites …

Carbon nanotube (CNT) incorporated cementitious composites for functional construction materials: The state of the art

GM Kim, IW Nam, B Yang, HN Yoon, HK Lee… - Composite Structures, 2019 - Elsevier
Carbon nanotube (CNT) is one of the most promising nanomaterials, which has remarkable
mechanical, electrical, thermal properties and chemical stability. Since the incorporation of …

A review of recent advances and applications of machine learning in tribology

AT Sose, SY Joshi, LK Kunche, F Wang… - Physical Chemistry …, 2023 - pubs.rsc.org
In tribology, a considerable number of computational and experimental approaches to
understand the interfacial characteristics of material surfaces in motion and tribological …

Nature of aluminates in CASH: A cryogenic stability insight, an extension of DNA-code rule, and a general structural-chemical formula

X Zhu, M Vandamme, L Brochard, Z Zhang… - Cement and Concrete …, 2023 - Elsevier
Herein, we report a cryogenic attack study on CASH with bulk Ca/(Al+ Si)= 0.84–1.75,
Al/(Al+ Si)= 0.1, 0.2. The CASH nanostructure variations are quantitively analyzed using …

Recent advances of molecular dynamics simulations in nanotribology

I Srivastava, A Kotia, SK Ghosh, MKA Ali - Journal of Molecular Liquids, 2021 - Elsevier
To improve the efficiency of a machinery component, it is necessary to enhance the quality
of lubricants. Lubricants help to reduce the friction and wear between the two surfaces which …

Molecular dynamics modeling of the structure, dynamics and energetics of mineral–water interfaces: Application to cement materials

AG Kalinichev, J Wang, RJ Kirkpatrick - Cement and Concrete Research, 2007 - Elsevier
This paper reviews molecular modeling studies of water structure in nano-confinement and
at fluid–solid interfaces and presents new molecular dynamics (MD) modeling results for …