Atomistic Simulations of Geopolymer Models: The Impact of Disorder on Structure and Mechanics
- Submitting institution
-
University of Newcastle upon Tyne
- Unit of assessment
- 12 - Engineering
- Output identifier
- 248980-164798-1293
- Type
- D - Journal article
- DOI
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10.1021/acsami.8b03873
- Title of journal
- ACS Applied Materials & Interfaces
- Article number
- -
- First page
- 22809
- Volume
- 10
- Issue
- 26
- ISSN
- 1944-8244
- Open access status
- Compliant
- Month of publication
- June
- Year of publication
- 2018
- URL
-
https://doi.org/10.1021/acsami.8b03873
- Supplementary information
-
-
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
-
4
- Research group(s)
-
-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- Geopolymers may lead to significantly more sustainable concretes, but uncertainties about their durability are impeding uptake in constructions. This uncertainty is underpinned by limited understanding of their molecular structure, and existing models are too oversimplified to produce credible predictions. This paper was the first to propose realistic model molecular structures to obtain quantitative, predictive simulations of mechanics as a function of chemical composition. With the involvement of the co-author John Provis, a world leader in geopolymer science, this work is now influencing the formulation of new standards at the U.K. (BSI PAS 8820:2016) and international (RILEM) levels.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -