Open Efforts for Computational Materials Research and Education

2008–February 2012

Open Efforts for Computational Materials Research & Education: A NSDL MatDL & TMS Pilot working together with the Materials community (DUE-0840792)

• PI - Laura M. Bartolo (Kent State University)
• CoPI - Warren H. Hunt, Jr. (The Minerals, Metals and Materials Society (TMS))

This NSDL small grants proposal seeks to expand the activities of the existing NSDL MatDL Pathway through collaboration with The Minerals, Metals, and Materials Society (TMS), a major international professional materials society, to lay the foundation for sustainable free access to authoritative computational materials research and education resources in the materials community. Working together to coordinate their complementary services, MatDL and TMS propose to support the development and deployment of open source computational materials software to bring applications of extraordinary utility to materials researchers and educators. Specifically, the collaboration includes two computational materials projects hosted on MatDL’s Matforge: FiPy and Gibbs. FiPy is a partial differential equation solver, written in Python, based on a standard finite volume approach and written mainly for materials science continuum modeling such as the phase field method. FiPy is developed and administered by Jonathan Guyer, Daniel Wheeler and James Warren at the National Institute of Standards and Technology. Gibbs is a multi-component thermodynamics calculation and visualization suite developed and administered by Adam C. Powell IV (Opennovation), R. Edwin Garcia (Purdue University), and Raymundo Arroyave (Texas A&M).