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中南大学学报(英文版)

Journal of Central South University

Vol. 28    No. 6    June 2021

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One-step random-walk process of nanoparticles in cement-based materials
Ali BAHARI1, Aref SADEGHI-NIK2, Elena CERRO-PRADA3, Adel SADEGHI-NIK2, Mandana ROODBARI1, Yan ZHUGE4

1. Department of Physics, University of Mazandaran, Babolsar, Iran;
2. Young Researchers and Elite Club, Sari Branch, Islamic Azad University, Sari, Iran;
3. Department of Civil Engineering, Universidad Politécnica de Madrid, Madrid, Spain;
4. Department of Civil Engineering, University of South Australia, Adelaide, Australia

Abstract:Efficient modelling approaches capable of predicting the behavior and effects of nanoparticles in cement-based materials are required for conducting relevant experiments. From the microstructural characterization of a cement-nanoparticle system, this paper investigates the potential of cell-based weighted random-walk method to establish statistically significant relationships between chemical bonding and diffusion processes of nanoparticles within cement matrix. LaSr0.5C0.5O3 (LSCO) nanoparticles were employed to develop a discrete event system that accounts for the behavior of individual cells where nanoparticles and cement components were expected to interact. The stochastic model is based on annihilation (loss) and creation (gain) of a bond in the cell. The model considers both chemical reactions and transport mechanism of nanoparticles from cementitious cells, along with cement hydration process. This approach may be useful for simulating nanoparticle transport in complex 2D cement-based materials systems.

 

Key words: Markov chain Monte Carlo; random-walk method; Fokker-Planck equation; LaSr0.5C0.5O3 (LSCO); cement; nanoparticle incorporation

中南大学学报(自然科学版)
  ISSN 1672-7207
CN 43-1426/N
ZDXZAC
中南大学学报(英文版)
  ISSN 2095-2899
CN 43-1516/TB
JCSTFT
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