| 项目编号: | 1644052
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| 项目名称: | EAGER: Multiscale Methodology for Capturing Aggregation Phenomena in Surfactant-based Systems |
| 作者: | Meenakshi Dutt
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| 承担单位: | Rutgers University New Brunswick
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| 批准年: | 2016
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| 开始日期: | 2016-09-01
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| 结束日期: | 2018-08-31
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| 资助金额: | 100000
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| 资助来源: | US-NSF
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| 项目类别: | Standard Grant
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| 国家: | US
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| 语种: | 英语
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| 特色学科分类: | Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
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| 英文关键词: | self-assembly
; new multiscale computational method
; multiscale computational approach
; way multiscale interfacial phenomenon
; other computational methodology
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| 英文摘要: | PI: Dutt, Meenakshi
Proposal Number: 1644052
The goal of this proposal is to find novel ways for the integration of computational codes that are each accurate at different length and time scales. This is the pathway to achieve a truly multiphysics and multiscale computational approach to engineering problems. It is also proposed to use this new approach for the fundamental investigation of the self-assembly of surfactants, a problem with applications in food products, personal hygiene products, foams, detergents, and fluids in the environment among others.
The proposal seeks to address the development of a new multiscale computational method that interfaces a deterministic particle dynamics technique (Molecular Dynamics) to a continuum fluid dynamics method (lattice Boltzmann Method). The proposed research will yield a new mesoscopic computational method that can efficiently bridge molecular properties to the continuum scale, resolve dynamic molecular-solvent interfaces, and capture the hydrodynamics of the system. The implementation of the method within a community code such as LAMMPS will potentially catalyze the development of other computational methodologies to further advance the field of soft materials and complex fluids. The research outcome will change the way multiscale interfacial phenomena in surfactant-based systems are investigated, impacting nanotechnology, biotechnology and medicine. The proposed method will use an adaptive particle-fluid coupling scheme to probe and resolve dynamical processes underlying the formation of aggregates via the self-assembly of distinct surfactant species and their morphological properties. The project will encompass an education and outreach program aimed at increasing the participation and retention of junior scientists with the target of helping them attain their educational goals and enhance their career prospects. |
| 资源类型: | 项目
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| 标识符: | http://119.78.100.158/handle/2HF3EXSE/91193
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| Appears in Collections: | 全球变化的国际研究计划
科学计划与规划
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| Recommended Citation: | |
Meenakshi Dutt. EAGER: Multiscale Methodology for Capturing Aggregation Phenomena in Surfactant-based Systems. 2016-01-01.
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