IMR-MIP DANSE - Distributed Data Analysis for Neutron Scattering Experiments

美国田纳西州橡树岭正在建设的Sputron中子源（“SNS”）是世界上最大的科学建设项目，预算为1.411美元。2006年，它将开始产生强中子束，用作材料探测器。控制这些束流并检测从样品散射的中子的仪器是最先进的。在SNS进行的中子散射实验将产生关于材料、分子和凝聚态物质中原子和自旋的位置和运动的前所未有的详细数据。在美国国家科学基金会的IMR-MIP计划下，正在支持一项概念工程设计工作，以建立一个名为DANSE的系统中的SNS和其他中子设施数据分析软件-中子散射实验分布式数据分析。DANSE项目包括一个中央资源活动，以及美国各地不同机构中子散射科学不同子领域的子项目。牵头机构是加州理工学院。科学子项目由密歇根州立大学（衍射）、爱荷华州州立大学（工程衍射）、马里兰州大学（反射测量）、田纳西大学（小角度散射）、洛斯阿拉莫斯大学和加州理工学院的教师领导。DANSE使用基于数据流范例的新软件架构。使用可重复使用的软件组件进行分析，这些组件可以使用标准化数据流通过网络连接。组件集成到一个连贯的解释框架使用开源语言Python，使自定义分析程序可以很容易地在运行时构建。该架构使高性能计算的分布式资源，并打开访问未来的网络基础设施的网格计算。DANSE提供了一个前所未有的机会，将数据分析、理论和仿真合并到一个统一的计算环境中。DANSE项目的目标是建立一个软件系统，1）使新的和更复杂的科学与中子散射实验进行，2）使数据分析更容易为所有科学家，和3）提供一个强大的软件基础设施，可以在未来的维护。（“SNS”），正在建设中的橡树岭，田纳西州的预算为1，411，000，000美元，是世界上最大的科学建设项目。2006年，它将开始产生强中子束，用作材料探测器。控制这些束流并检测从所研究样品散射的中子的仪器是最先进的。在SNS进行的中子散射实验将产生关于材料中原子位置和运动的前所未有的详细数据。用这些仪器获得的原始实验数据并不容易解释，需要新的软件将数据转换为有用的形式。除了今天可用的这种数据减少之外，还有机会使用过去十年来发生的计算材料科学的几项重大进展来解释数据。在美国国家科学基金会的IMR-MIP计划下，一个概念性的工程设计工作正在得到支持，以建立一个名为DANSE的软件系统-中子散射实验的分布式数据分析。DANSE项目包括两个部分。第一个是软件工程的努力，建立一个框架，允许模块化软件组件的互操作性。第二个是美国不同机构的科学家们为中子散射研究的不同子领域开发数据分析所需的软件组件。牵头机构是加州理工学院。科学子项目由科学家领导， 密歇根州立大学、爱荷华州州立大学、马里兰州大学和田纳西大学。DANSE项目的目标是建立一个软件系统，1）使新的和更复杂的科学与中子散射实验进行，2）使数据分析更容易为所有科学家，和3）提供一个强大的软件基础设施，可以在未来维护。

The Spallation Neutron Source (the "SNS"), under construction in Oak Ridge, Tennessee with a budget of $B1.411, is the world's largest science construction project. In 2006 it will start to produce intense beams of neutrons to be used as probes of materials. The instruments that control these beams, and detect the neutrons scattered from specimens, are state-of-the-art. Neutron scattering experiments performed at the SNS will produce data of unprecedented detail on the positions and motions of atoms and spins in materials, molecules, and condensed matter. Under the IMR-MIP program at the NSF, a conceptual engineering design effort is being supported to build software for the analysis of data from the SNS and other neutron facilities in a system called DANSE - distributed data analysis for neutron scattering experiments. The DANSE project includes a central resources activity, and subprojects in the different subfields of neutron scattering science at different institutions around the U.S. The lead institution is the California Institute of Technology. The scientific subprojects are led by faculty at Michigan State Univ. (diffraction), at Iowa State Univ. (engineering diffraction), the University of Maryland (reflectometry), the University of Tennessee (small-angle scattering), and Los Alamos, and Caltech.DANSE uses a new software architecture based on the data flow paradigm. Analysis is performed with reusable software components that can be connected across a network using standardized data streams. Components are integrated into a coherent interpretive framework using the open source language Python so that custom analysis procedures can be constructed easily at runtime. The architecture enables high performance computing on distributed resources and opens access to the future cyber infrastructure of grid-based computing. DANSE provides an unprecedented opportunity to merge data analysis, theory, and simulation into a uniform computing environment. The goals of the DANSE project are to build a software system that 1) enables new and more sophisticated science to be performed with neutron scattering experiments, 2) makes the analysis of data easier for all scientists, and 3) provides a robust software infrastructure that can be maintained in the future.The Spallation Neutron Source (the "SNS"), under construction in Oak Ridge, Tennessee with a budget of $ 1,411,000,000, is the world's largest science construction project. In 2006 it will start to produce intense beams of neutrons to be used as probes of materials. The instruments that control these beams, and detect the neutrons scattered from the specimens under study, are state-of-the-art. Neutron scattering experiments performed at the SNS will produce data of unprecedented detail on the positions and motions of atoms in materials. The raw experimental data acquired with these instruments are not simple to interpret, and new software is required to transform the data into useful forms. Beyond such data reductions that are available today, there is an opportunity to interpret data using several major advances in computational materials science that have occurred over the past decade. Under the IMR-MIP program at the NSF, a conceptual engineering design effort is being supported to build a software system called DANSE - distributed data analysis for neutron scattering experiments. The DANSE project includes two parts. The first is a software engineering effort to build a framework that permits the interoperability of modular software components. The second is an effort by scientistsat different institutions around the U.S. to develop the software components needed for data analysis for the different subfields of neutron scattering research. The lead institution is the California Institute of Technology. The scientific subprojects are led by scientists at Michigan State University, Iowa State University, the University of Maryland, and University of Tennessee. The goals of the DANSE project are to build a software system that 1) enables new and more sophisticated science to be performed with neutron scattering experiments, 2) makes the analysis of data easier for all scientists, and 3) provides a robust software infrastructure that can be maintained in the future.