[HTML][HTML] A review of coarse grained and mesoscale simulations of C–S–H

K Ioannidou, C Labbez, E Masoero - Cement and Concrete Research, 2022 - Elsevier
The nano-to-micro mesoscale is crucial for cementitious materials; here reactions and
interactions between molecules produce complex mechanisms that determine the behavior …

Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: a review

M Bauchy - Computational Materials Science, 2019 - Elsevier
From telescope lenses to optical fibers and smartphone screens, glasses have been key
enablers in human history. Unlike crystalline materials, glasses can virtually feature any …

Scaling of nanoscale elastic and tensile failure properties of cementitious calcium-silicate-hydrate materials at cryogenic temperatures: A molecular simulation study

X Zhu, L Brochard, M Vandamme, Z Jiang - Cement and Concrete …, 2023 - Elsevier
This paper investigates the scaling of the nanoscopic elastic and tensile failure properties of
calcium-silicate-hydrate (CSH). We report a Zhurkov-like scaling behavior for disordered …

Atomistic simulations of geopolymer models: the impact of disorder on structure and mechanics

F Lolli, H Manzano, JL Provis… - … applied materials & …, 2018 - ACS Publications
Geopolymers are hydrated aluminosilicates with excellent binding properties. Geopolymers
appeal to the construction sector as a more sustainable alternative to traditional cements …

Nanoscale origins of creep in calcium silicate hydrates

A Morshedifard, S Masoumi… - Nature …, 2018 - nature.com
The time-dependent response of structural materials dominates our aging infrastructure's life
expectancy and has important resilience implications. For calcium-silicate-hydrates, the glue …

Predicting the dissolution kinetics of silicate glasses by topology-informed machine learning

H Liu, T Zhang, NM Anoop Krishnan… - Npj Materials …, 2019 - nature.com
Abstract Machine learning (ML) regression methods are promising tools to develop models
predicting the properties of materials by learning from existing databases. However …

Predicting the early-stage creep dynamics of gels from their static structure by machine learning

H Liu, S **ao, L Tang, E Bao, E Li, C Yang, Z Zhao… - Acta Materialia, 2021 - Elsevier
Upon sustained loading, colloidal gels tend to feature delayed viscoplastic creep
deformations. However, the relationship, if any, between the structure and creep dynamics of …

alkali-activated blast furnace slag for eco-friendly binders

X Sun, Y Zhao, J Qiu, J **ng - Journal of Materials Science, 2022 - Springer
From infrastructure to national defense construction, concrete has been a key enabler in
human history. While as the main binding material, ordinary Portland cement production …

Modifier field strength effects on densification behavior and mechanical properties of alkali aluminoborate glasses

K Januchta, M Bauchy, RE Youngman, SJ Rzoska… - Physical Review …, 2017 - APS
The constituents of oxide glasses are typically classified as network formers, which form the
rigid backbone of glasses, and network modifiers, which tend to either charge stabilize …

Calcium silicate hydrate colloid at different humidities: Microstructure, deformation mechanism, and mechanical properties

C Liang, Q Zheng, J Jiang, PJM Monteiro, S Li - Acta Materialia, 2022 - Elsevier
Calcium silicate hydrate (CSH) is the main hydration product of Portland cement, while
fundamental questions persist regarding its colloidal structure and water content. In this …