New theoretical and simulation approach for understanding packing structures of soft self-adjusting objects
用于理解软自调节物体堆积结构的新理论和模拟方法
基本信息
- 批准号:2230946
- 负责人:
- 金额:$ 35.29万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2023
- 资助国家:美国
- 起止时间:2023-07-01 至 2026-06-30
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
When designing new solid materials, it is important to manipulate how a material’s constituent objects pack together to tailor the properties to an application. Using heat treatment or applying an external force can change this packing, thereby modifying the material’s structure to fit the developer’s need. For example, this type of manipulation is used to control properties of glass, steel, and plastics. Many conventional computer simulation methods used to predict these packing arrangements assume that the objects are hard spheres. But often real materials are made of soft objects. These will pack differently, like how balloons pack differently from bowling balls. This award uses a new computer model to understand how to control the packing of squishy polymeric objects. Connecting the polymer stiffness and processing conditions with the overall material properties will enable new opportunities for faster development of designer materials.This award aims to test the hypothesis that the packing structures observed for a material have less to do with the volume fraction of particles (the current common interpretation) and more to do with the surface area of the deformable particles. The simulations are based on a vertex model in which the geometry of contact between surfaces determines the physical interactions. The first objective is to quantify the roles of thermal fluctuations, particle surface tension, and exchange of material between particles in determining the equilibrium preferences for structures. The second objective is to understand the dynamic evolution in time. This includes the formation of ordered states upon quenching a disordered state, as well as transitions between ordered states. 2D simulations represent thin films while 3D simulations represent bulk materials. The coarse-grained nature of the model enables large assemblies including the effects of crystal grain size and grain boundaries. The award will train undergraduate and graduate students as well as a postdoctoral researcher in the application of computer simulations to materials. It will also create an interactive online tool to help motivate students to pursue STEM careers via learning about material properties and design.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
在设计新的固体材料时,重要的是要操纵材料的组成对象如何组合在一起,以根据应用定制属性。使用热处理或施加外力可以改变这种包装,从而改变材料的结构以适应开发人员的需要。例如,这种类型的操纵用于控制玻璃、钢和塑料的属性。许多传统的计算机模拟方法用来预测这些包装安排假设的对象是硬球。但通常真实的材料是由柔软的物体制成的。它们的包装方式会有所不同,就像气球和保龄球的包装方式不同一样。该奖项使用一种新的计算机模型来了解如何控制软质聚合物物体的包装。将聚合物的刚度和加工条件与材料的整体性能联系起来,将为更快地开发设计材料提供新的机会。该奖项旨在验证一种假设,即观察到的材料的堆积结构与颗粒的体积分数(目前常见的解释)关系不大,而与可变形颗粒的表面积关系更大。模拟是基于一个顶点模型,在该模型中,表面之间的接触的几何形状决定的物理相互作用。第一个目标是量化的热波动,颗粒表面张力和颗粒之间的材料交换的作用,在确定结构的平衡偏好。第二个目标是了解时间的动态演变。这包括在猝灭无序状态时形成有序状态,以及有序状态之间的转变。2D模拟表示薄膜,而3D模拟表示块体材料。该模型的粗粒度的性质,使大组件,包括晶粒尺寸和晶界的影响。该奖项将培养本科生和研究生以及博士后研究人员在计算机模拟材料的应用。该奖项反映了NSF的法定使命,并通过使用基金会的智力价值和更广泛的影响审查标准进行评估,被认为值得支持。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Patrick Underhill其他文献
Patrick Underhill的其他文献
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{{ truncateString('Patrick Underhill', 18)}}的其他基金
Collaborative Research: GOALI: Nanoparticle analysis of antibody colloidal interactions and their influence on viscoelastic properties of concentrated antibody solutions
合作研究:GOALI:抗体胶体相互作用的纳米颗粒分析及其对浓抗体溶液粘弹性的影响
- 批准号:
1803497 - 财政年份:2018
- 资助金额:
$ 35.29万 - 项目类别:
Standard Grant
Trapping and separating objects in free solution by exploiting conformation-dependent electrophoretic mobility
利用构象依赖性电泳迁移率捕获和分离自由溶液中的物体
- 批准号:
1826788 - 财政年份:2018
- 资助金额:
$ 35.29万 - 项目类别:
Standard Grant
EAGER: Propulsion of enzyme-coated Janus particles through complex environments
EAGER:通过复杂环境推进涂有酶的 Janus 颗粒
- 批准号:
1544617 - 财政年份:2015
- 资助金额:
$ 35.29万 - 项目类别:
Continuing Grant
CAREER: Multiscale modeling of collective behavior of bacteria
职业:细菌集体行为的多尺度建模
- 批准号:
0954445 - 财政年份:2010
- 资助金额:
$ 35.29万 - 项目类别:
Standard Grant
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