A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Scaling Effect on Mechanical Property of Calcium Silicate Hydrate in Cement Using Reactive Molecular Dynamics
Molecular dynamics simulations have been increasingly employed to investigate the mechanical properties of cement hydrates at the nanoscale. This technique deepens the understanding of cement-based materials, yet correlating these nanoscale findings with larger scale experiments remains a challenge, particularly due to scaling effects. This study focuses on the scaling impact on calcium silicate hydrate (C-S-H). Two types of C-S-H models were constructed: one with defective silicate chains and the other without. Each model includes three sub-models of varying sizes. Under uniaxial tension along silicon chain direction, the stress and strain responses were recorded. The results show that at the nanoscale, model correction such as silicon chain breakage has a greater impact on the elastic modulus and tensile strength than model size. Additionally, the stress–strain curve obtained during the tension process needs to be corrected before comparison with stress–strain on other scales. The findings provide crucial insights into the mechanical behavior of C-S-H at the nanoscale and offer a theoretical basis for bridging the gap between nanoscale simulations and larger scale experimental results.
Scaling Effect on Mechanical Property of Calcium Silicate Hydrate in Cement Using Reactive Molecular Dynamics
Molecular dynamics simulations have been increasingly employed to investigate the mechanical properties of cement hydrates at the nanoscale. This technique deepens the understanding of cement-based materials, yet correlating these nanoscale findings with larger scale experiments remains a challenge, particularly due to scaling effects. This study focuses on the scaling impact on calcium silicate hydrate (C-S-H). Two types of C-S-H models were constructed: one with defective silicate chains and the other without. Each model includes three sub-models of varying sizes. Under uniaxial tension along silicon chain direction, the stress and strain responses were recorded. The results show that at the nanoscale, model correction such as silicon chain breakage has a greater impact on the elastic modulus and tensile strength than model size. Additionally, the stress–strain curve obtained during the tension process needs to be corrected before comparison with stress–strain on other scales. The findings provide crucial insights into the mechanical behavior of C-S-H at the nanoscale and offer a theoretical basis for bridging the gap between nanoscale simulations and larger scale experimental results.
Scaling Effect on Mechanical Property of Calcium Silicate Hydrate in Cement Using Reactive Molecular Dynamics
Lecture Notes in Civil Engineering
Kioumarsi, Mahdi (editor) / Shafei, Behrouz (editor) / Cao, Jie (author) / Wang, Chao (author) / Gonzalez-Libreros, Jaime (author) / Tu, Yongming (author) / Elfgren, Lennart (author) / Sas, Gabriel (author)
The International Conference on Net-Zero Civil Infrastructures: Innovations in Materials, Structures, and Management Practices (NTZR) ; 2024 ; Oslo, Norway
The 1st International Conference on Net-Zero Built Environment ; Chapter: 25 ; 293-302
2025-01-09
10 pages
Article/Chapter (Book)
Electronic Resource
English
Mechanical property–porosity relationships of layered calcium silicate hydrate phases
| Online Contents | 2013
Mechanical property–porosity relationships of layered calcium silicate hydrate phases
| British Library Online Contents | 2013
Mechanical property–porosity relationships of layered calcium silicate hydrate phases
| Springer Verlag | 2012
Mechanical property–porosity relationships of layered calcium silicate hydrate phases
| Online Contents | 2012
Mechanical property–porosity relationships of layered calcium silicate hydrate phases
| Online Contents | 2012