| 项目编号: | 1705738
|
| 项目名称: | Collaborative Research: Mechanistic understanding and control of soft interfacial nanorheology from molecular simulations and nanoresolved experiments |
| 作者: | David Simmons
|
| 承担单位: | University of Akron
|
| 批准年: | 2017
|
| 开始日期: | 2017-08-15
|
| 结束日期: | 2020-07-31
|
| 资助金额: | 238238
|
| 资助来源: | US-NSF
|
| 项目类别: | Standard Grant
|
| 国家: | US
|
| 语种: | 英语
|
| 特色学科分类: | Engineering - Chemical, Bioengineering, Environmental, and Transport Systems
|
| 英文关键词: | experiment
; simulation
; material
; interface
; research
; interfacial phenomenon research community
; polymer/polymer interface
; mechanistic understanding
; collaborative award
; research experience
; nanoparticle surfactant
; chemically-realistic all-atom simulation
; high-throughput molecular dynamics simulation
; research team
; high-speed coarse-grained simulation
; rheological response
; computer simulation
; rational control
|
| 英文摘要: | CBET 1705738/1706012
PIs: Simmons, David S./Priestly, Rodney D.
From longer-lasting and safer batteries to strong and lightweight composites for use in airplanes and automobile bodies, many of the materials that could open the door to tomorrow's technologies incorporate structure on the nanometer scale. These materials are not composed of single uniform substance. Instead, these "nanostructured" materials consist of vast numbers of distinct alternating domains, each a thousand times smaller than the thickness of a human hair. With the proper design, these composites have the potential to combine the best properties of multiple materials into one. However, researchers have found the performance of nanostructured materials depends not only on the composition of the nanoscale domains, but also on the interfaces between the domains. The behavior of these interfaces, which are too small to characterize directly with current tools, remains unknown. This collaborative award will support experiments and computer simulations of molecular motion that will focus on these interfaces to understand the origins of their unique properties. The project will determine how these interfaces deform differently than the surrounding materials and how the interfacial deformation can be designed to yield materials with improved performance. The research team will engage high school and undergraduate students in an integrated research experience spanning the University of Akron and Princeton University, accelerating the understanding and discovery of new materials while broadening the U.S. technology workforce.
This project aims to 1) establish a mechanistic understanding of gradients in nanoscale rheological properties at polymer/polymer interfaces and their connection to molecular structure, and 2) pioneer a new strategy for the rational control of rheology and mechanics near polymer/polymer interfaces via the introduction of nanoparticle surfactants. A central challenge in accomplishing these goals has been a longstanding inability to resolve directly nanoscale gradients in rheological response near soft interfaces. This research will overcome this challenge via a feedback loop between high-throughput molecular dynamics simulations (Simmons) and experiments (Priestley). Experiments will combine layer-resolved fluorescence spectroscopy with a novel non-contact shear rheology method that enables nanoscale resolution of gradients in rheological properties near polymer interfaces. Simulations will incorporate high-speed coarse-grained simulations and chemically-realistic all-atom simulations. By systematically probing a matrix of polymer and interfacial properties, simulations and experiments will interconnect interfacial thermodynamics, segmental dynamics, and rheological response near polymer/polymer interfaces. These results will be combined with a matrix of simulations and experiments probing the effect of nanoparticle surfactants on interfacial deformation to establish a new mechanism-based strategy for control of interfacial rheological response via the targeted introduction of nanoparticle surfactants. Ultimately, results from this work will accelerate design of materials with targeted interfacial properties and deformation, enabling new nanostructured polymers for applications ranging from next-generation batteries to separations membranes to lightweight structural materials. In addition to engagement of students over a range of levels in a cross-institution training program, the PI's will extend the impact of this research through joint organization of a symposium at a national meeting focused on bridging polymer and interfacial phenomena research communities. |
| 资源类型: | 项目
|
| 标识符: | http://119.78.100.158/handle/2HF3EXSE/89285
|
| Appears in Collections: | 全球变化的国际研究计划
科学计划与规划
|
|
There are no files associated with this item.
|
| Recommended Citation: | |
David Simmons. Collaborative Research: Mechanistic understanding and control of soft interfacial nanorheology from molecular simulations and nanoresolved experiments. 2017-01-01.
|
|
|