Collaborative Research: SI2-SSE: An open source multi-physics platform to advance fundamental understanding of plasma physics and enable impactful application of plasma systems

随着世界走向重要资源更可持续的生命周期，将需要新的材料合成、修饰或修复技术。利用等离子体放电的技术将对跨越食品、水和能源的更可持续的联系做出重大贡献。为了促进对这些基于等离子体的系统以及它们如何与推动更高水平可持续发展的材料相互作用的基本理解，需要能够模拟等离子体本身内部的复杂相互作用以及等离子体与周围物质的复杂相互作用。该项目将为科学界提供一个强大的模拟平台，使研究等离子体化学形成和等离子体材料相互作用的保真度达到目前世界各地研究人员所无法达到的水平。该平台的开源框架将使来自世界各地机构的研究人员能够为该框架的能力做出贡献，并推动这些系统的基础科学走向更可持续的食品、能源和水连接。推进基于等离子体的技术，使未来的食品、能源和水能够实现更大的可持续性对于水和水的联系，迫切需要在模拟能力方面取得进展，以应对四个统一的研究挑战，1。等离子体在体积和表面上的反应机理中产生了选择性，2)界面等离子体现象，3)多尺度、非平衡化学物理和4.)等离子体的协同性和复杂性。这项研究工作将扩大、部署和支持一个强大的开源多物理平台，该平台将使这些统一研究领域的先进模拟成为可能。等离子体科学模拟应用程序将扩大到包括复杂的多相化学、等离子体和其他材料相之间界面的多域模拟以及等离子体系统的完全耦合电磁处理，该系统将把等离子体形成机制与潜在的化学和电气多相相互作用联系起来。Zapdos将在现有的多物理面向对象模拟环境(MOOSE)上得到支持，并将利用现有的支持、验证、修订跟踪、以及培训基础设施和MOOSE和目前驻留在MOOSE框架上的22个开发的应用程序(包括Zapdos)所使用的最著名的方法。这项提议不仅将利用两所合作大学之间的合作，而且将与框架开发商(爱达荷州国家实验室)、现有用户(橡树岭国家实验室)和更广泛的等离子体社区(APS气体电子学专题会议)合作，开发这种有效的模拟工具的有效开发、部署、支持和培训。该项目得到了计算机和信息科学与工程总局的高级网络基础设施办公室、数学和物理科学局的物理司和多学科活动办公室以及工程局的化学、生物工程、环境和运输系统司的支持。

As the world moves toward a more sustainable life cycle for vital resources, new techniques for the synthesis, modification, or remediation of materials will be needed.  Techniques that utilize plasma discharges will make significant contributions to a more sustainable nexus spanning food, water, and energy.  To advance the fundamental understanding of these plasma-based systems and how they interact with the materials that will drive this higher level of sustainability, the ability to simulate both the complex interactions within the plasma itself and the complex interaction of the plasma with surrounding materials is needed.  This project will provide a powerful simulation platform to the scientific community that will enable the study of plasma chemistry formation and plasma material interaction with a level of fidelity that is not currently available to researchers around the world.  The open-source framework for this platform will enable researchers from institutions around the world to contribute to the capabilities of this framework and advance the underlying science of these systems to move toward a more sustainable food, energy, and water nexus.To advance plasma-based technology that will enable greater sustainability in the future food, energy, and water nexus, there exists an overarching need for advances in simulation capability that address four unifying research challenges, 1.) Plasma Produced Selectivity in Reaction Mechanisms in the Volume and on Surfaces, 2.) Interfacial Plasma Phenomena, 3.) Multiscale, Non-Equilibrium Chemical Physics, and 4.) Synergy and Complexity in Plasmas.  This research effort will expand, deploy, and support a powerful open-source multi-physics platform that will enable advanced simulation in these unifying research areas.  A plasma science simulation application will be expanded to include complex multi-phase chemistries, multiple-domain simulation of the interface between plasmas and other material phases, and fully coupled electro-magnetic treatment of plasma systems that will link plasma formation mechanisms with underlying chemical and electrical multi-phase interactions.  Zapdos will be supported on the existing multi-physics Object Oriented Simulation Environment (MOOSE) and will leverage the existing support, verification, revision tracking, and training infrastructure and best known methods employed by both MOOSE and the 22 developed applications (including Zapdos) that currently reside on the MOOSE framework. This proposal will leverage collaboration not only between the two partnering universities, but with framework developers (Idaho National Laboratory), existing users (Oak Ridge National Laboratory), and the broader plasma community (APS Topical Meeting on Gaseous Electronics) to develop efficient development, deployment, support, and training of this impactful simulation tool.This project is supported by the Office of Advanced Cyberinfrastructure in the Directorate for Computer & Information Science & Engineering, the Physics Division and the Office of Multidisciplinary Activities in the Directorate of Mathematical and Physical Sciences, and the Division of Chemical, Bioengineering, Environmental, and Transport Systems in the Directorate of Engineering.