Al-Cu Symmetric/Asymmetric Tilt Grain Boundary Dataset
| dc.contributor | U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005, USA | en_US |
| dc.contributor | Georgia Institute of Technology, Atlanta, GA USA | en_US |
| dc.contributor.author | Tschopp, Mark A. | |
| dc.contributor.author | Coleman, Shawn P. | |
| dc.contributor.author | McDowell, David L. | |
| dc.contributor.other | mark.a.tschopp.civ@mail.mil | en_US |
| dc.date.accessioned | 2015-09-08T20:14:34Z | |
| dc.date.available | 2015-09-08T20:14:34Z | |
| dc.identifier.citation | Tschopp MA, Coleman SP, McDowell DL (2015) Symmetric and asymmetric tilt grain boundary structure and energy in Cu and Al (and transferability to other fcc metals). Integrating Materials and Manufacturing Innovation, 4:11. | en_US |
| dc.identifier.uri | http://hdl.handle.net/11256/358 | |
| dc.description.abstract | Symmetric and asymmetric tilt grain boundaries in Cu and Al were generated using molecular statics energy minimization in LAMMPS with in-plane grain boundary translations and an atom deletion criterion. The following dataset contains atomic coordinates in LAMMPS format for minimum energy grain boundaries in three-dimensional periodic simulation cells, facilitating their use in future simulations. | en_US |
| dc.relation.uri | http://dx.doi.org/10.1186/s40192-015-0040-1 | |
| dc.rights | CC0 1.0 Universal | * |
| dc.rights.uri | http://creativecommons.org/publicdomain/zero/1.0/ | * |
| dc.subject | Computational File Repository Categories::ALLOY SYSTEMS::Al Alloys | en_US |
| dc.subject | Computational File Repository Categories::METHODS::Atomistics | en_US |
| dc.subject | Computational File Repository Categories::ALL CHEMICAL SYSTEMS::Al (Aluminum) | en_US |
| dc.subject | Computational File Repository Categories::ALL CHEMICAL SYSTEMS::Cu (Copper) | en_US |
| dc.subject | Computational File Repository Categories::PHASES::FCC_A1 | en_US |
| dc.subject | Computational File Repository Categories::PROPERTY CLASSES::Interface/Surface | en_US |
| dc.subject | Computational File Repository Categories::SOFTWARE::Atomistics::LAMMPS | en_US |
| dc.subject | Computational File Repository Categories::STATE::Solid::Surface/Interface | en_US |
| dc.subject | Grain Boundary | en_US |
| dc.title | Al-Cu Symmetric/Asymmetric Tilt Grain Boundary Dataset | en_US |
| dc.type | Dataset | en_US |
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