Transforming Combustion Research through Cyberinfrastructure (2011) / Chapter Skim
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Pages 68-78
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From page 68... ...
For the fuels and chemistry communities, a CI must handle an extremely heterogeneous data set, including properties of individual molecules, reaction rates and transport properties, fuel compositions, and experimental data on the performance of different fuels under vari 68
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From page 69... ...
Many of the flame and reacting-flow community's challenges here are technical: the mechanics of how to share and use extremely large data sets, how to ensure access to the validation data without compromising security, and so on. In this field, information is organized according to flame type and computational fluid dynamics (CFD)
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From page 70... ...
government facilities and because data on efficient engines and fuels are so economically and militarily valuable, the combustion CI would have to be designed to facilitate secure password protection on selected data and on access to computer resources, but without impeding efficient data flow. It is already the case that proprietary hardware and design drawings have been made available to universities for simulation and testing.
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From page 71... ...
These requirements and the experience of other CIs, discussed in Chapters 1 and 2, suggest a two-tiered organizational structure, with a central team and three individual outreach teams: • A central CI team will be needed to devise the overall architecture and assemble and maintain the unified database and data-flow software that will connect all the communities. • The first outreach team will be focused on the molecule-oriented fuel research community -- developing data types, interfaces, and tools that will foster participation by each of the chemistry-oriented subcommunities and that will handle the highly heterogeneous chemistry data (from spectroscopy, calorimetry, kinetics, and so on)
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From page 72... ...
At least three individual outreach teams should work closely with a central team: one outreach team connecting with the many chemistry‑oriented subcommunities providing fuel data, one team con‑ necting with the reacting‑flow and turbulent‑flame community, and one team ensuring that the cyberinfrastructure meets the needs of the industrial engine and fuels R&D community. These outreach teams will be responsible for interfaces, specialized software tools, and the devel ‑ opment of formats and methods to handle different types of input data, and for the promotion of the new CI within their target communities.
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From page 73... ...
Ultimately, the success of the CI will depend on the level of engagement achieved with each community, so careful planning and effective execution of the CI's outreach component are essential. The implementation plan should also include contingency options for alternative budgetary levels.
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From page 74... ...
A CYBERINFRASTRUCTURE AS AN EDUCATIONAL TOOL Changes in Educational Programs As demonstrated by the success of nanoHUB, a CI offers great opportunities to improve combustion education, including the following: better integration of combustion science and combustion engineering, providing stronger context and motivation for students; emphasis on the multiscale, multi-science nature of combustion, which positions it to be an excellent exemplar of state-of-the-art computational science and engineering; and better integration of combustion science with both computer and compu tational sciences, to expose students to a broader range of necessary tools and concepts. It is noteworthy that instructors teaching combustion have a long history of working with open-source, cyber-based scientific data and software libraries, a history that started with the pioneering years of CHEMKIN (see Appendix B in this report)
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From page 75... ...
environment, as well as a variety of computational science methods, such as numerical meth ods, parallel software design, and parallel computing optimization. Educational Components The committee envisions two main educational components in the combustion CI: 1.
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From page 76... ...
The advanced training program will help promote combustion as a multiscale, multi-science discipline and a leading application field for an enhanced CI with strong ties to computer and computational sciences. These aspects of the combustion CI will facilitate the sharing of tools, data, and practices.
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From page 77... ...
employees, mostly computer programmers. The initial development of the specialized user interfaces, data types, and software; the related outreach to the many disparate subcommunities involved in combustion research; and the electronic capture of the historical data in each area will require a much larger workforce, which is a mix of domain experts (i.e., scientists and engineers who can communicate well with each subcommunity and who are familiar with the science issues)
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From page 78... ...
Such a community-wide CI is expected to drive a transformation of the combus tion research community from a fragmented group of researchers and engineers characterized by light infrastructure and small research teams to an integrated community characterized by networked infrastructure and multidisciplinary research teams that function throughout the com munity. In the past, such a transformation toward a community-level integrated framework has been typically observed in research communi ties that share a large brick-and-mortar infrastructure (for instance, in the particle physics community, a community connected by the common need to use large-scale facilities such as particle accelerators)
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