| 研究課題/領域番号 |
23KJ0057
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| 研究機関 | 北海道大学 |
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研究代表者 |
Zhai Qi 北海道大学, 工学院, 特別研究員(DC1)
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| 研究期間 (年度) |
2023-04-25 – 2026-03-31
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| キーワード | molecular dynamics / Adsorption / complex energy / DFT simulation / cement-based materials / blast furnace slag |
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| 研究実績の概要 |
In FY2023, we conducted a systematic review of the role of organic additives in cementitious materials. This review was instrumental in guiding our next research steps. Building upon this review, we combined experiments with theoretical calculations (molecular dynamics simulations and density functional theory) to investigate the mechanism of organic adsorption on surfaces in cementitious materials, yielding new insights. Subsequently, we examined the effects of various organic additives on the hydration of blast furnace slag in a cement environment.
Lastly, we endeavored to model the diffusion of slag at the nanolayer level to predict slag hydration. However, since the experimental phase is still ongoing, we plan to complete both the modeling and experimental validation within this year.
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| 現在までの達成度 (区分) |
現在までの達成度 (区分)
2: おおむね順調に進展している
理由
As outlined in the research plan, our initial focus is on understanding the mechanism of the glass phase in cementitious materials, particularly in high alumina slag-based materials, under various excitation environments. Subsequently, we aim to develop corresponding models.
Currently, we have completed the preliminary exploration of these excitation environments and have made attempts at constructing a model. This model aligns more closely with the findings of previous research. Consequently, the current research is progressing smoothly and is gradually evolving according to the planned trajectory.
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| 今後の研究の推進方策 |
In FY2024, our objectives are to synthesize glass phases with various chemical compositions derived from the chemical compositions of real alternative materials. We will then assess the reactivity and strength of these glass phases using techniques such as XRD and isothermal calorimetry. Concurrently, we plan to develop a predictive model for the reactivity of these glass phases through molecular dynamics simulations, and subsequently compare these results with our experimental findings. Finally, we will conduct a theoretical investigation into the impact of external factors, such as organic additives, on the reactivity of the glassy phase.
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| 次年度使用額が生じた理由 |
As the research program progresses in an organized manner as anticipated, there is a significant need for theoretical calculations. Considering the substantial computational resources required for molecular dynamics simulations, we are requesting a portion of the budget for next fiscal year to cover these costs.
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