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

随着世界向重要资源更可持续的生命周期迈进，将需要合成、改性或修复材料的新技术。利用等离子体放电的技术将为更可持续的食物、水和能源关系做出重大贡献。为了推进对这些基于等离子体的系统的基本理解，以及它们如何与材料相互作用，从而推动更高水平的可持续性，模拟等离子体内部复杂的相互作用以及等离子体与周围材料的复杂相互作用的能力是必要的。该项目将为科学界提供一个强大的模拟平台，使等离子体化学形成和等离子体材料相互作用的研究具有一定的保真度，这是目前世界各地的研究人员无法获得的。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功能做出贡献，并推进这些系统的基础科学，以实现更可持续的食物、能源和水关系。为了推进基于等离子体的技术，使其在未来的食品、能源和水关系中具有更大的可持续性，需要提高模拟能力，以解决四个统一的研究挑战：1。等离子体在体积和表面反应机制中产生的选择性，2。界面等离子体现象，3。多尺度、非平衡化学物理和4)等离子体的协同和复杂性。这项研究工作将扩展、部署和支持一个强大的开源多物理场平台，使这些统一研究领域的高级模拟成为可能。等离子体科学模拟应用将扩展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，将等离子体形成机制与潜在的化学和电多相相互作用联系起来。Zapdos将在现有的多物理场面向对象仿真环境（MOOSE）上得到支持，并将利用现有的支持、验证、修订跟踪和培训基础设施以及MOOSE和目前驻留在MOOSE框架上的22个开发应用程序（包括Zapdos）所采用的最知名的方法。该提案不仅将利用两所合作大学之间的合作，还将利用框架开发人员（爱达荷国家实验室）、现有用户（橡树岭国家实验室）和更广泛的等离子体社区（APS关于气体电子的专题会议）对这一有影响力的模拟工具进行有效的开发、部署、支持和培训。该项目由计算机与信息科学与工程理事会的先进网络基础设施办公室、数学与物理科学理事会的物理部门和多学科活动办公室以及工程理事会的化学、生物工程、环境和运输系统部门提供支持。

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.