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View Generic Document: The Calculation of 10,000 Grain Boundary Structures Citation: Osysko, Aaron P. (2009). The Calculation of 10,000 Grain Boundary Structures. Cornell Center for Materials Research. Collection: Cornell Center for Materials Research REU Program     Attached Files Name Description MIMEType Size Downloads n2009_CCMR_REU_osysko.pdf   application/pdf 423.90KB 0 Title The Calculation of 10,000 Grain Boundary Structures Author(s) Osysko, Aaron P. Keyword(s) grain boundaries aluminum molecular dynamics Abstract/Summary Simulation of pure aluminum (111) twist boundaries exemplified the same relationship between grain boundary energy and misorientation angle as in published literature. The grain boundary extended toward the free surfaces however the highest energy effects were seen at the grain boundary site and the free surfaces. The criteria for ensuring an accurate minimum energy for each grain boundary required an energy box 13Å from each free surface. Publisher Cornell Center for Materials Research Date 2009-08-15 Copyright Notice Copyright 2009 CCMR. Materials from the CCMR website http://www.ccmr.cornell.edu/ may not be used without permission. Copyright Agreement on Additional Notes Support for the CCMR is provided through the NSF Grant DMR 0520404, part of the NSF MRSEC Program. Additional support is provided by Cornell University, the State of New York, and by industrial sources. More information on the CCMR REU program can be found at http://www.ccmr.cornell.edu/education/reu/   User Comments   Created: Sat, 16 Apr 2011, 00:42:09 EST by Cathy Lowe. Detailed History

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