Atomic-Scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures
Author | : National Aeronautics and Space Administration (NASA) |
Publisher | : Createspace Independent Publishing Platform |
Total Pages | : 26 |
Release | : 2018-06-20 |
ISBN-10 | : 1721568069 |
ISBN-13 | : 9781721568062 |
Rating | : 4/5 (69 Downloads) |
Book excerpt: We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics. Daw, Murray S. and Mills, Michael J. Glenn Research Center NASA/CR-2003-212122, NAS 1.26:212122, E-13774