Collaborative Research: Engineering Virtual Organizations: Combustion kinetics

奖项编号：CBET-0742688；CBET-0742186；CBET-0742543主要研究员：Wang，Hai；Knyazev，Vadim D.；Smith，Gregory P.隶属：南加州大学；美国天主教大学；SRI国际建议标题：合作研究：工程虚拟组织：燃烧动力学PUBLIC摘要这一种子赠款支持建立一个虚拟燃烧动力学组织(VOCK)，其初始研究和学习目标是为C1-C4碳氢化合物燃烧开发化学动力学基础模型。由于燃烧过程的多现象、多尺度以及数据和知识密集型的性质，即使在协作的情况下，这些模拟工具的开发也不再是一个人或有限的研究小组(S)所能完成的。为了取得进一步的进展和成功，将需要社会的协调努力。这一努力的成功将有助于证明虚拟组织在推进高保真燃烧模拟研究目标方面的用处和效力。将部署和测试三个相关的任务组，作为全面实施虚拟组织的原型，创建一个概念设计，并催化全面实施一个更广泛的虚拟组织，以开发高性能燃烧模拟计算工具。作为支持网络基础设施的工具，Prime(http://www.primekinetics.org))将用于促进数据收集、模型生成和成员交流。此外，为了取得成功，已经确定了广泛的共享社区资源。该项目的很大一部分重点是试验组织原则和结构，协调任务小组以实现Vock的共同目标，以及成员参与/协作。预期的项目成果包括一份正式的用户要求文件和一个试验化学动力学基础模型，以证明Vock的有效性。更重要的是，Vock有望成为一个模范的燃烧虚拟组织，具有广泛的参与、有效的治理原则和结构，以及鼓励更广泛参与的相互支持的组织文化。

Award Numbers: CBET-0742688; CBET-0742186; CBET-0742543Principal Investigator: Wang, Hai; Knyazev, Vadim D.; Smith, Gregory P. Affiliation: University of Southern California; Catholic University of America; SRI InternationalProposal Title: Collaborative Research: Engineering Virtual Organization: Combustion KineticsPUBLIC ABSTRACTThis seed grant supports creation of a Virtual Organization of Combustion Kineticists (VOCK) with an initial research and learning goal of developing a chemical kinetics foundation model for C1-C4 hydrocarbon combustion. Because of the multi-phenomenon, multi-scale, and data- and knowledge-intensive nature of combustion processes, the development of these simulation tools can no longer be accomplished by an individual or a limited number of research group(s) even under a collaborative setting. To make further progress and achieve success, a coordinated community effort will be needed. The success of this effort will lend itself to a demonstration of the usefulness and effectiveness of a virtual organization to further the research objective of high-fidelity combustion simulations. Three related task groups will be deployed and tested as the prototypes for full virtual organization implementation, creating a conceptual design and catalyzing full implementation of a broader virtual organization for developing high-performance computing tools for combustion simulations. As a cyberinfrastructure-enabling tool, PrIMe (http://www.primekinetics.org) will be used to facilitate data gathering, model generation, and member communication. In addition, a wide range of shared community resources have been identified to achieve success. A large part of the project focus is to experiment with the organization principles and structures, the coordination of task groups to achieve the common goal of VOCK, and member participation/collaboration. The anticipated project outcomes include a document of formal user requirements and a trial chemical kinetic foundation model to demonstrate the effectiveness of VOCK. More importantly, VOCK is expected to serve as an exemplary combustion virtual organization with broad participation, effective governance principles and structures, and a mutually supportive organization culture that encourages even broader participation.