Collaborative Research: CDI-Type II: Cyber-Enabled Studies of Complexity in Nanodusty Plasmas

合作研究：CDI-II 型：纳米尘等离子体复杂性的网络研究

• 批准号: 1124752
• 负责人: Steven Girshick
• 金额: $ 138.92万
• 依托单位: University of Minnesota-Twin Cities
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-10-01 至 2016-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1124752&HistoricalAwards=false
• 关键词: Collaborative; Research; CDI; Type; II

"Nanodusty plasmas" are ionized gases in which particles only a few to tens of nanometers in diameter nucleate and grow. These plasmas exhibit all of the hallmarks of complexity in physical systems. As particles nucleate and grow they become increasingly charged, profoundly affecting the plasma and setting in motion a set of nonlinear couplings between the nanoparticle cloud and the plasma which are now unpredictable. They are of practical interest, because nanoparticles are a major source of contamination in semiconductor processing and because of the use of plasmas to synthesize nanoparticles for a wide variety of applications, ranging from photovoltaics to cancer treatment. In this project a cyber infrastructure will be developed that will underpin the development of numerical models of nanodusty plasmas. With this cyber infrastructure, heretofore unresolved phenomena in these highly complex systems will be investigated.The project involves a collaboration that will advance several different fields of science and engineering, bringing together expertise in computational modeling of chemically reacting plasmas and plasma transport, particle nucleation and growth, aerosol dynamics and computational chemistry. It draws on staff and resources of the Minnesota Supercomputing Institute and supercomputer facilities at Pacific Northwest and Argonne National Laboratories, and involves collaboration with Sandia National Laboratories on the development of computational techniques for parallelization of hybrid particle-fluid models. The cyber platform to be developed will build upon the Hybrid Plasma Equipment Model (HPEM), developed by one of the PIs, by implementing a hierarchy of physics and chemistry modules to address the complexity of particle nucleation and growth and aerosol dynamics. Leveraging the HPEM's existing industrial user base, the project has a strong component of technology transfer, including possible commercialization with an industrial partner. The project also has an international dimension, collaborating with two research groups in France.The project will develop numerical models of nanodusty plasmas as well as a cyber infrastructure to facilitate these models and make these new tools generally available. The project will produce the first-ever numerical models that self-consistently account for all of these interacting phenomena: particle nucleation, growth and charging in a multi-dimensional plasma; nanoparticle transport; plasma chemistry; electron and ion kinetics; and the collective mutual effects of nanoparticles on a plasma. The development of such models is a challenging undertaking, made more so by the paucity of needed fundamental data on properties and reactivities of small clusters, and by the fact that real plasma systems are typically three-dimensional. Tackling these problems is ambitious from the viewpoint of physics and chemistry, many aspects of which are poorly understood, and from the computational viewpoint, as vast ranges of length and time scales are involved, with strongly coupled interacting subsystems and nonlinear behavior. The development of a cyber infrastructure that enables accurate simulations of real nanodusty plasmas will mark a major paradigm shift.Graduate students and postdocs involved in the project will work in an interdisciplinary environment that bridges the cultures of engineering and science. The project includes the development of a cyber infrastructure to be made available to researchers in academia and national labs, transfer of technology to industry through software licensing, and international collaborations. Through the development of interactive Web-based graphical user interfaces, real-time 3-D visualization, and massively parallel computing, the project will transform the study of nanodusty plasmas, with benefits to researchers in advancing fundamental understanding, to the semiconductor industry in developing strategies to avoid nanoparticle contamination, and to the creation of engineered nanoparticles for applications such as photovoltaics and cancer treatment.This is a Cyber-Enabled Discovery and Innovation Program award and is co-funded by the Division of Computing and Communication Foundations in the CISE directorate, the Division of Materials Research and the Division of Mathematical Sciences in the MPS directorate and the Office of International Science and Engineering.

“纳米尘埃等离子体”是电离气体，其中直径仅为几到几十纳米的粒子成核和生长。 这些等离子体展现了物理系统复杂性的所有特征。 随着粒子的成核和生长，它们变得越来越带电，深刻地影响着等离子体，并在纳米粒子云和等离子体之间启动了一系列现在不可预测的非线性耦合。 它们具有实际意义，因为纳米颗粒是半导体加工中污染的主要来源，并且因为使用等离子体合成纳米颗粒用于各种各样的应用，从光致发光到癌症治疗。 在这个项目中，将开发一个网络基础设施，以支持纳米尘埃等离子体数值模型的发展。 该项目涉及的合作将推动多个不同的科学和工程领域，汇集了化学反应等离子体和等离子体传输、粒子成核和生长、气溶胶动力学和计算化学的计算建模方面的专业知识。 它利用明尼苏达超级计算研究所的工作人员和资源以及太平洋西北部和阿贡国家实验室的超级计算机设施，并与桑迪亚国家实验室合作开发混合粒子-流体模型并行化的计算技术。 将开发的网络平台将建立在由其中一个PI开发的混合等离子体设备模型（HPEM）的基础上，通过实施物理和化学模块的层次结构来解决粒子成核和生长以及气溶胶动力学的复杂性。 利用HPEM现有的工业用户基础，该项目具有强大的技术转让组成部分，包括与工业合作伙伴的可能商业化。 该项目还具有国际层面，与法国的两个研究小组合作，将开发纳米尘埃等离子体的数值模型以及网络基础设施，以促进这些模型并使这些新工具普遍可用。 该项目将产生有史以来第一个数值模型，自洽地解释所有这些相互作用的现象：多维等离子体中的粒子成核，生长和充电;纳米粒子传输;等离子体化学;电子和离子动力学;以及纳米粒子对等离子体的集体相互作用。 这种模型的发展是一项具有挑战性的事业，更是由于缺乏所需的基本数据的性质和反应性的小集群，并通过事实，即真实的等离子体系统通常是三维的。 从物理学和化学的角度来看，解决这些问题是雄心勃勃的，其中许多方面都知之甚少，从计算的角度来看，因为涉及广泛的长度和时间尺度，具有强耦合的相互作用的子系统和非线性行为。 网络基础设施的发展，使精确模拟真实的纳米尘埃等离子体将标志着一个重大的范式转变。参与该项目的研究生和博士后将在跨学科的环境中工作，连接工程和科学的文化。 该项目包括开发一个网络基础设施，供学术界和国家实验室的研究人员使用，通过软件许可和国际合作向工业界转让技术。 通过开发基于Web的交互式图形用户界面，实时三维可视化和大规模并行计算，该项目将改变对纳米尘埃等离子体的研究，有利于研究人员推进基本理解，有利于半导体行业制定避免纳米粒子污染的策略，这是一个网络驱动的发现和创新计划奖，与其他国家和地区的科学家合作，由CISE董事会的计算和通信基础部，MPS董事会的材料研究部和数学科学部以及国际科学与工程办公室资助。