CAREER: NANO-PARTICLE SELF-ASSEMBLY OUT OF EQUILIBRIUM

职业：纳米粒子的非平衡自组装

• 批准号: 1554398
• 负责人: James Swan
• 金额: $ 50万
• 依托单位: Massachusetts Institute of Technology
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-02-01 至 2022-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1554398&HistoricalAwards=false
• 关键词: CAREER; NANO; PARTICLE; SELF; ASSEMBLY

CBET - 1554387PI: Swan, James W.Nanoparticles can be the building blocks to make new materials provided that the nanoparticles can be made to assemble in prescribed ways. When the assembly process is driven by thermodynamics and is conducted under near-equilibrium conditions, nanoparticles can self-assemble spontaneously to form materials that have proven useful in a variety of applications. However, the restriction to near-equilibrium conditions limits the new structures that can be formed and limits their growth rates. To address this issue, this project will use time-varying magnetic fields to direct the assembly of nanoparticles under conditions far from equilibrium and not subject to thermodynamic constraints of near-equilibrium processes. The project will develop computational algorithms that can be used by scientists and engineers to explore potential routes to new nanoparticle-based structures. The project will also use results of the research to develop several novel educational tools, including simulations of fluid flow with nanoparticles and smartphone apps that are educational games to illustrate basic concepts of fluid dynamics.This project will test the hypothesis that out-of-equilibrium self-assembly processes, which are driven by non-conservative or time-varying forces, are not thermodynamically constrained. The project is motivated by recent experiments that used time-varying magnetic fields to form crystals from suspensions of paramagnetic colloids at unprecedented growth rates. The objective of the proposed research is to test this hypothesis with computational models and to develop a theoretical framework to describe the kinetics, stability and control of such out-of-equilibrium processes. Non-equilibrium statistical mechanics underpinned by large-scale stochastic simulations will be used to identify, investigate, and optimize out-of-equilibrium pathways for the growth of nanoparticle crystals. . The project will develop accelerated simulations of assembly kinetics, simulate assembly driven by time-varying interactions among nanoparticles, and develop theory to predict phase transitions owing to nanoparticle interactions.

CBET - 1554387PI：Swan，James W.纳米颗粒可以成为制造新材料的构建块，前提是纳米颗粒可以按照规定的方式组装。 当组装过程由热力学驱动并在接近平衡的条件下进行时，纳米颗粒可以自发地自组装形成已被证明可用于各种应用的材料。 然而，对接近平衡条件的限制限制了可以形成的新结构并限制了它们的增长率。 为了解决这个问题，该项目将使用时变磁场在远离平衡的条件下引导纳米颗粒的组装，并且不受近平衡过程的热力学约束。 该项目将开发计算算法，可供科学家和工程师用来探索新型纳米颗粒结构的潜在途径。该项目还将利用研究结果开发几种新颖的教育工具，包括用纳米颗粒模拟流体流动和智能手机应用程序，这些教育游戏旨在说明流体动力学的基本概念。该项目将测试以下假设：由非保守或时变力驱动的非平衡自组装过程不受热力学约束。该项目的动机是最近的实验，该实验使用时变磁场以前所未有的生长速度从顺磁胶体悬浮液中形成晶体。本研究的目的是用计算模型检验这一假设，并开发一个理论框架来描述这种非平衡过程的动力学、稳定性和控制。以大规模随机模拟为基础的非平衡统计力学将用于识别、研究和优化纳米粒子晶体生长的非平衡路径。 。 该项目将开发组装动力学的加速模拟，模拟纳米颗粒之间时变相互作用驱动的组装，并开发预测纳米颗粒相互作用引起的相变的理论。