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Architectural Engineering

Missouri University of Science and Technology

Molecular dynamics simulation

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Chloride Binding Mechanism In Seawater-Mixed Uhpc, Wei Zhang, Dawei Ding, Mengmeng Li, Tiao Wang, Hongyan Ma, Binmeng Chen, Hongxing Hu, Jizhou Chen, Xiaomin Liu, Dongshuai Hou May 2024

Chloride Binding Mechanism In Seawater-Mixed Uhpc, Wei Zhang, Dawei Ding, Mengmeng Li, Tiao Wang, Hongyan Ma, Binmeng Chen, Hongxing Hu, Jizhou Chen, Xiaomin Liu, Dongshuai Hou

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

The rapid development of marine concrete structures and the sharp shortage of freshwater resources contribute to the wide investigation of seawater-mixed ultra-high-performance concrete (swuhpc). However, few studies have investigated the chloride ions (cl-) binding mechanism of swuhpc. Herein, the chloride binding experiments and molecular dynamics (md) simulation were carried out to reveal the physically and chemically bound cl- mechanisms of swuhpc. The results of the experiments clearly demonstrate that the addition of silica fume (sf) led to a significant decrease in the capacity of cl- binding. Conversely, the incorporation of metakaolin (mk) resulted in a marked increase in the content …


Rejuvenation Effect Of Aged Sbs-Modified Asphalt Utilizing Molecule Analysis, Ke Shi, Feng Ma, Jenny Liu, Zhen Fu, Ruimeng Song, Dongdong Yuan, Chen Li Jun 2023

Rejuvenation Effect Of Aged Sbs-Modified Asphalt Utilizing Molecule Analysis, Ke Shi, Feng Ma, Jenny Liu, Zhen Fu, Ruimeng Song, Dongdong Yuan, Chen Li

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

The Performance of Styrene-Butadiene-Styrene Modified Asphalt (SBSMA) is Significantly Impacted by its Aging and Regeneration. in This Research, the Molecular Dynamics Simulation Was Utilized to Investigate the Rejuvenation Effect of Active Reagents on Aged SBS Modified Asphalt through the Following Tasks: 1) Verifying the Accuracy of the Asphalt Model by Density and Solubility Parameters; 2) Assessing the Changes in the Rejuvenated Asphalt Model's Energetic Parameters and Volume Parameters, 3) Studying the Interaction Energy between SBS Molecules and Asphalt Molecule Models, and 4) Evaluating the Relative Concentration, Interfacial Interaction Energy, and Diffusion Effect of the Asphalt-Asphalt Models. the Results Indicated that …


Editorial: Ultra-High Performance Concrete: Computation And Simulation Methods, Xinpeng Wang, Yitong Ma, Dongshuai Hou, Hongyan Ma, Yue Zhang Jan 2023

Editorial: Ultra-High Performance Concrete: Computation And Simulation Methods, Xinpeng Wang, Yitong Ma, Dongshuai Hou, Hongyan Ma, Yue Zhang

Civil, Architectural and Environmental Engineering Faculty Research & Creative Works

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