Collaborative Research: Petascale Computing, Visualization, and Science Discovery of Turbulent Sooting Flames

提案题目：合作研究：湍流煤烟火焰的Petascale计算、可视化和科学发现项目负责人：Im， Hong G.[领导]机构：密歇根大学安娜堡分校提案号：OCI-0904660项目负责人：Trouve， Arnaud C研究机构：马里兰大学学院公园项目编号：OCI-0904480项目负责人：Haworth， Daniel C研究机构：宾夕法尼亚州立大学公园项目编号：OCI-0904649项目负责人：研究机构：康涅狄格大学提案号：OCI-0904771首席研究员：Sankaran， Ramanan研究机构：田纳西大学诺克斯维尔提案号：OCI-0904818首席研究员：Ma， kwang - liu研究机构：加州大学戴维斯分校提案号：OCI-0905008本提案将使用2009年美国复苏和再投资法案（公法111-5）提供的资金进行奖励。燃烧产生的煤烟会影响能源效率、环境和人类健康，因此控制煤烟是一个主要的技术和社会问题。本研究的目的是利用peta-flop计算实现湍流燃烧的烟尘预测。一个由六个研究小组组成的团队正在共同开发一个千百次翻转的软件包，该软件包将以前所未有的细节和真实感捕捉湍流煤烟火焰的物理和化学。这些研究工作有望导致我们对与能量转换和污染物控制有关的许多重要科学问题的基本理解取得突破。这里开发的综合软件包将允许详细考虑气相化学，烟灰形成和辐射传热现象。它将通过增强网格、算子和方程级别的并行性，扩展之前的teraflop代码，用于湍流燃烧的直接数值模拟（DNS）。其他目标包括减少与不同碳氢化合物燃料相关的烟灰形成的化学动力学机制；允许任意光学厚度的气体和烟尘颗粒的光谱分辨辐射传热模型；基于截面法和矩量法相结合的烟尘气溶胶及其运移模型多元数据集与数据挖掘软件；新颖的容错和检查点功能；现场可视化;自动特征提取和跟踪极限现象，如在煤烟火焰的点火/熄灭。新的模拟能力将在高雷诺数和Damköhler数的实验室规模湍流火焰中进行测试。这项合作研究将增强国家？通过吸引新一代学生参与多学科计算科学和工程，提高美国的竞争力。教师、学生和最终的软件开发将受益于计算机科学和领域科学的跨学科交流，这是确保代码被有效设计和优化所必需的。软件的传播将通过开源许可证进行。该项目的多学科、多机构方面自然会为赞助高中和本科生的研究项目带来许多机会。这些活动还将补充并受益于全球其他研究小组在燃烧研究和计算机科学方面的密切合作。

Proposal Title: Collaborative Research: Petascale Computing, Visualization, and Science Discovery of Turbulent Sooting Flames Principal Investigator: Im, Hong G. [Lead] Institution: University of Michigan Ann Arbor Proposal No: OCI-0904660 Principal Investigator: Trouve, Arnaud C Institution: University of Maryland College Park Proposal No: OCI-0904480 Principal Investigator: Haworth, Daniel C. Institution: Pennsylvania State Univ University Park Proposal No: OCI-0904649 Principal Investigator: Lu, Tianfeng Institution: University of Connecticut Proposal No: OCI-0904771 Principal Investigator: Sankaran, Ramanan Institution: University of Tennessee Knoxville Proposal No: OCI-0904818 Principal Investigator: Ma, Kwan-Liu Institution: University of California-Davis Proposal No: OCI-0905008 This proposal will be awarded using funds made available by the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). Energy efficiency, the environment, and human health can be affected by combustion-generated soot, so controlling soot is a major technological and societal concern. This research is directed toward achieving soot prediction from turbulent combustion by using peta-flop computing. A team of six research groups is working together to develop a peta-flop software package that will capture the physics and chemistry of turbulent sooting flames at an unprecedented level of detail and realism. These research efforts are expected to lead to breakthroughs in our fundamental understanding of many important scientific issues related to energy conversion and pollutant control. The comprehensive software package developed here will allow detailed consideration of gas-phase chemistry, soot formation, and radiative heat transfer phenomena. It will extend a previous teraflop code for direct numerical simulation (DNS) of turbulent combustion by enhancing parallelism at the grid, operator, and equation levels. Other goals include reduced chemical-kinetic mechanisms for soot formation associated with different hydrocarbon fuels; spectrally resolved radiative heat-transfer models for gases and soot particles allowing arbitrary optical thickness; a soot aerosol and transport model based on the combination of sectional and moment methods; multivariate dataset and data-mining software; novel fault tolerance and checkpoint capabilities; in-situ visualization; and automated feature extraction and tracking of limit phenomena such as ignition/extinction in sooting flames. The new simulation capability will be tested in laboratory-scale turbulent flames at high Reynolds and Damköhler numbers. This collaborative research will enhance the nation?s competitiveness by engaging a new generation of students in multi-disciplinary computational science and engineering. Faculty, students, and the resulting software development will benefit from the interdisciplinary interchange of computer science and domain science necessary to ensure that the code is designed and optimized efficiently. Dissemination of the software will occur through an open-source license. The multi-disciplinary, multi-institutional aspects of the project will naturally lead to a number of opportunities for sponsoring high school and undergraduate student research programs. The activities will also complement and benefit from close collaboration with other research groups worldwide in combustion research as well as in computer science.