Combinatorial molecular optimization of cement hydrates
Massachusetts Institute of Technology · Centre National de la Recherche Scientifique · +1 more institution
Abstract
Despite its ubiquitous presence in the built environment, concrete’s molecular-level properties are only recently being explored using experimental and simulation studies. Increasing societal concerns about concrete’s environmental footprint have provided strong motivation to develop new concrete with greater specific stiffness or strength (for structures with less material). Herein, a combinatorial approach is described to optimize properties of cement hydrates. The method entails screening a computationally generated database of atomic structures of calcium-silicate-hydrate, the binding phase of concrete, against a set of three defect attributes: calcium-to-silicon ratio as compositional index and two…
Citation impact
- FWCI
- 64.89
- Percentile
- 100%
- References
- 65
Authors
13- MJMohammad Javad Abdolhosseini QomiCorresponding
Massachusetts Institute of Technology
- KJKonrad J. Krakowiak
Massachusetts Institute of Technology
- MBMathieu Bauchy
Massachusetts Institute of Technology
- KLKaren L. Stewart
Massachusetts Institute of Technology
- RSRouzbeh Shahsavari
Massachusetts Institute of Technology
Topics & keywords
- Calcium silicate hydrate
- Cement
- Materials science
- Rheology
- Silicon
- Stiffness
- Indentation
- Calcium