Force Field for Tricalcium Silicate and Insight into Nanoscale Properties: Cleavage, Initial Hydration, and Adsorption of Organic Molecules

By Ratan K. Mishra, Robert J. Flatt, Hendrik Heinz. 2013

176 citations recorded by the source corpus.

Subfields: Civil and Structural Engineering, Earth-Surface Processes, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/0ea22301b29ff79d8a818e0becd38ef47e2ccefc

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Civil and Structural Engineering

1. Hendrik Heinz
2. P. Bowen
3. Denvid Lau
4. A. Kalinichev
5. Sandra Galmarini
6. A. Mohamed
7. R. Pellenq
8. H. Manzano

In Earth-Surface Processes

1. Robert J. Flatt
2. M. Steiger

Citations in the corpus

• Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF (2017, background): “…0 to 10% agreement with experiment for unknown combinatorial interfaces such as DNA/ included clay minerals [22], silicates and aluminates [23–25], fcc metals [26], sulphates, phosphates, polyethylene oxide and full consistency with existing parameters for polymers and biomol-ecules (Figure…”
• cemff: A force field database for cementitious materials including validations, applications and opportunities (2017, background): “IFF [49,85] Crystal facet average 1300 ± 50 − 830 ± 40”
• Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges (2018, methodology): “A forcefield that can reproduce reasonable surface and interface properties is developed [18], which is compatible with many other commonly employed forcefields.”