A new paper has been published from Journal of Advanced Concrete Technology:
T. Fujimura, Y. Hakozaki, S. Sakuragi, Y. Nakajima, K. Murakami, K. Suzuki, I. Maruyama, T. Ohkubo, Study of Mechanical Properties of Silicate Minerals by Molecular Dynamics Simulation, J. Adv. Concr. Technol. 21 (2023) 920–933. https://doi.org/10.3151/jact.21.920.

This research has established a method for evaluating physical properties such as strength, Young’s modulus and Poisson’s ratio of various silica (SiO2)-containing minerals using molecular dynamics. Until now, tests on the aggregate itself have been carried out to evaluate aggregates for concrete, but in the future, examples of evaluating aggregates back to the mineral from the viewpoint of future and lifetime prediction are envisaged for critical structures such as nuclear power plants. The basic physical properties of the minerals contained in concrete aggregates have been evaluated to contribute to these evaluations.