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Showing 1–4 of 4 results
Advanced filters: Author: Hegoi Manzano Clear advanced filters
  • The nucleation of calcium silicate hydrate is a crucial step in cement hydration, but is still a poorly understood process. Here the authors use atomistic simulations to study primary particles and their aggregation, revealing a potential C-S-H “basic building block”.

    • Xabier M. Aretxabaleta
    • Jon López-Zorrilla
    • Hegoi Manzano
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-9
  • Organic additives frequently shape crystallisation in natural and industrial settings, yet their precise influence on nucleation remains poorly understood. Here, Baken et al. investigate how additives affect the crystallization of the industrially relevant minerals portlandite and gypsum. Using controlled titration coupled with in situ synchrotron monitoring, the team demonstrates that both minerals form via intermediate steps: portlandite gradually becomes more ordered as it develops, while gypsum switches abruptly from a disordered to an ordered state. The study reveals that additives influence these pathways prior to nucleation by altering the nature of prenucleation clusters. How strongly an additive interacts with these clusters depends on its chemical state, which is controlled by the pH conditions specific to each mineral. These findings offer a starting point for creating an industrial “toolbox” to help select more effective additives, and they advance our understanding of biomineralisation processes.

    • Annet Baken
    • Alejandro Fernandez-Martinez
    • Alexander E. S. Van Driessche
    ResearchOpen Access
    Nature Communications
    Volume: 17, P: 1-14
  • Silane coupling agents retard early hydration when incorporated into fresh cement paste. Here the authors show how silane coupling agents hinder calcium dissolution of tricalcium silicate from ab initio metadynamics simulations and hydration experiments.

    • Binmeng Chen
    • Meng Wang
    • Yunjian Li
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-13
  • Despite being crucial for elucidating the cement hydration mechanism, the initial hydration stage is poorly understood. Here, authors uncover the unbiased Ca dissolution pathway during the initial hydration of calcium silicates via atomistic simulations and reveal a key Ca ligand structure.

    • Xinhang Xu
    • Chongchong Qi
    • Hegoi Manzano
    ResearchOpen Access
    Nature Communications
    Volume: 15, P: 1-10