Abstract
This paper describes the creation of a cyberinfrastructure to facilitate collaborative materials research in a laboratory environment that supports the discovery, development, and sustainment of materials and processing solutions. The infrastructure provides a web-based interface supporting group and project spaces within which researchers can easily organize, share, and collaborate on the results of their experimental and computational efforts. It seamlessly connects researchers with experimental and computational resources for easy generation, collection, and storage of digital data to provide instant access to results with no intermediate transfers. Persistent identifiers and metadata tagging are used to ensure historical research data are discoverable, interpretable, and reusable. The architecture is designed to be modular and agile and is based on federation of both applications and data through a central service bus that brokers all transactions. It is comprised of a number of open-source, commercial, and non-commercial software packages that provide the specific functionality needed to meet the large number of system requirements. This collaborative environment is essential to enabling a large research organization to conduct a research program consistent with the discipline of Integrated Computational Materials Engineering by allowing the seamless connection of experiment to model through pedigreed digital data with complete provenance.
Highlights
The discipline of Integrated Computational Materials Engineering (ICME) defines the need to capture and integrate materials information for reuse to enhance scientific and engineering efficiency and provide new pathways for discovery and development [1]
This paper describes efforts to construct an integrated collaborative environment (ICE) using both readily available software packages combined with tailored software solutions to build a cyberinfrastructure to serve the internal needs of a large materials laboratory
A major challenge facing the materials science and engineering community is the vast number of seams inhibiting collaboration and transfer of information between experimentalist, and modeler, between scientist and engineer, and between the materials, component design, manufacturing, and sustainment communities
Summary
The discipline of Integrated Computational Materials Engineering (ICME) defines the need to capture and integrate materials information for reuse to enhance scientific and engineering efficiency and provide new pathways for discovery and development [1]. Circa 2000, a number of efforts began to build software platforms to facilitate broad access to scientific analysis tools and research data using the Internet in the fields of astronomy, plant biology, and nanotechnology, for example [5,6,7] Among other features, these platforms have introduced the capability for remote access to simulation codes and high-performance computing resources by researchers. In materials science and engineering, there has been a sustained emphasis on developing databases and repositories for materials data, for internal engineering application but more recently for scientific uses as well [13,14,15] Some of these data management solutions have features that approach a LIMS, but none are sufficient to provide a complete cyberinfrastructure that connects people with equipment, simulation code, high-performance computing, and historical research data in a laboratory environment. This paper describes efforts to construct an integrated collaborative environment (ICE) using both readily available software packages combined with tailored software solutions to build a cyberinfrastructure to serve the internal needs of a large materials laboratory
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