https://scholars.lib.ntu.edu.tw/handle/123456789/169138
標題: | 多尺度模擬在奈米膠粒的粒間作用研究(2/2) | 作者: | 陳俊杉 | 公開日期: | 2004 | 出版社: | 臺北市:國立臺灣大學土木工程學系暨研究所 | 摘要: | 本研究主要目的在發展奈米膠粒粒間作用研究所需的多尺度模擬之理論方法與軟體工具, 並配合相關膠粒實驗,探討奈米膠粒的微觀機制與巨觀現象。本研究的主要內容包括:(1) 膠體顆粒的粒間作用機制與其數值模型之探討,(2)隨機布朗運動機制與離散元素模擬之 整合,(3)配合實驗進行數值模擬,探討相關變因之影響。 在微觀的尺度下,顆粒的表面作用力主宰著顆粒與顆粒間的交互作用。而顆粒與顆粒的粒 間作用力,可根據作用範圍分成:長距離、短距離和超短距離作用力。本研究案釐清文獻 中重要的粒間作用力及其相關理論,並實作相對應之數值模型於離散元素模擬程式,探討 這些作用力對顆粒運動行為的影響。在懸浮液中,膠體顆粒的動態行為,亦受到溶液分子 隨機碰撞所影響。本研究案亦整合隨機布朗運動的機制於離散元素模擬,更適切的模擬膠 粒在溶液中的動態聚結或分散行為。本研究並以單徑光閘晶體堆疊製程與雙徑膠粒殼核結 構製程為應用案例,配合實驗進行數值模擬,探討相關變因之影響。 The main objective of this research is to develop multiscale modeling techniques and simulation toolkits for studying colloidal nanoparticle interactions. We have studied: (1) inter-particle mechanisms and their corresponding numerical models for colloids, (2) stochastic nature of Brownian dynamics and its integration with a deterministic discrete element method, and (3) associated microscopic mechanisms and controlling factors of colloidal processes in the laboratory. Surface forces dominate the colloidal particle interactions at the microscopic scale. For colloids, the inter-particle forces can be classified into the long-ranged, short-ranged and very-short-ranged interaction forces. In this study, we have investigated the theories for these interaction forces and implemented the corresponding numerical models in an object-oriented discrete element analysis software program. Additionally, the effects of collisions with solvent molecules have been studied. The stochastic nature of collisions has been incorporated through the machinery of Brownian dynamics. Integrating Brownian dynamics with a discrete element simulation improves the predictive abilities for colloidal particle dynamics. We have conducted two technologically important case studies. The first case is to investigate packing structures of photonic bandgap crystals and the second case is to study synthesis of bimodal core/shell structures. Through these case studies, the associated microscopic mechanisms and controlling factors during colloidal processes have been investigated. |
URI: | http://ntur.lib.ntu.edu.tw//handle/246246/2855 | 其他識別: | 922211E002081 | Rights: | 國立臺灣大學土木工程學系暨研究所 |
顯示於: | 土木工程學系 |
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922211E002081.pdf | 4.42 MB | Adobe PDF | 檢視/開啟 |
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