Machine learning for glass science and engineering: A review

H Liu, Z Fu, K Yang, X Xu, M Bauchy - Journal of Non-Crystalline Solids, 2021 - Elsevier
The design of new glasses is often plagued by poorly efficient Edisonian “trial-and-error”
discovery approaches. As an alternative route, the Materials Genome Initiative has largely …

Advances in characterizing and understanding the microstructure of cementitious materials

PJM Monteiro, G Geng, D Marchon, J Li… - Cement and Concrete …, 2019 - Elsevier
Progress in microstructural characterization methods is summarized. Special attention is
given to advanced probes, such as X-ray imaging and spectroscopy, 1 H NMR relaxometry …

Understanding geopolymer binder-aggregate interfacial characteristics at molecular level

MF Kai, JG Dai - Cement and Concrete Research, 2021 - Elsevier
The interfacial characteristics of geopolymer binder to aggregate composites are poorly
understood, especially at molecular level. Herein, molecular models are developed to study …

New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: a molecular dynamics study

Y Zhang, Q Zhou, JW Ju, M Bauchy - Cement and Concrete Research, 2021 - Elsevier
When exposed to fire, the integrity of cement-based materials is governed by thermally-
induced changes in the mechanical properties of their binding phase, ie, the calcium …

[HTML][HTML] Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges

D Lau, W Jian, Z Yu, D Hui - Composites Part B: Engineering, 2018 - Elsevier
In recent years, research articles involving molecular dynamics simulations of construction
materials have grown significantly in number. The growth reflects an emerging need to …

Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations

M Bauchy, H Laubie, MJA Qomi, CG Hoover… - Journal of Non …, 2015 - Elsevier
Concrete is the most widely manufactured material in the world. Its binding phase, calcium–
silicate–hydrate (C–S–H), is responsible for its mechanical properties and has an atomic …

A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses

M Wang, NMA Krishnan, B Wang… - Journal of Non …, 2018 - Elsevier
Borosilicate glasses are traditionally challenging to model using atomic scale simulations
due to the composition and thermal history dependence of the coordination state of B atoms …

Physical origins of thermal properties of cement paste

MJ Abdolhosseini Qomi, FJ Ulm, RJM Pellenq - Physical Review Applied, 2015 - APS
Despite the ever-increasing interest in multiscale porous materials, the chemophysical origin
of their thermal properties at the nanoscale and its connection to the macroscale properties …

Crack-resistant Al2O3–SiO2 glasses

GA Rosales-Sosa, A Masuno, Y Higo, H Inoue - Scientific reports, 2016 - nature.com
Abstract Obtaining “hard” and “crack-resistant” glasses have always been of great important
in glass science and glass technology. However, in most commercial glasses both …

A review on applications of sol-gel science in cement

PAK Nair, WL Vasconcelos, K Paine… - … and building materials, 2021 - Elsevier
This is the first review that presents an outlook on sol-gel science's potential in different
areas of cement science and chemistry. Progress in nanotechnology has shown sol-gel …