Systematic analysis of local atomic structure combined with 3D computer graphics Export

@article{faken_94_systematic, abstract = {The implementation of a method for systematic analysis of local atomic structure in combination with 3D computer graphics is described. The method, Common Neighbor Analysis, is a decomposition of the radial distribution function according to the local environment of the pairs of atoms and can provide direct interpretation of various features of the radial distribution function in terms of atomic structure. It can also be used to identify atoms in particular environment, such as FCC, HCP, BCC or icosahedral. We describe an application of this program to a study of crystal nucleation in a molten Cu slab. While the majority of atoms in the resulting crystals are classified as being FCC, stacking faults are observed and can be traced back to the near-critical nuclei.}, author = {Faken, Daniel and Jonsson, Hannes}, citeulike-article-id = {489815}, citeulike-linkout-0 = {http://dx.doi.org/10.1016/0927-0256(94)90109-0}, citeulike-linkout-1 = {http://www.sciencedirect.com/science/article/B6TWM-48FKDDW-33/2/4c044e8c08bc9ff29ea9a23a3837c038}, doi = {10.1016/0927-0256(94)90109-0}, journal = {Computational Materials Science}, keywords = {cna, my\_gb\_article}, month = {March}, number = {2}, pages = {279--286}, posted-at = {2006-02-02 17:57:43}, priority = {2}, title = {Systematic analysis of local atomic structure combined with 3D computer graphics}, url = {http://dx.doi.org/10.1016/0927-0256(94)90109-0}, volume = {2}, year = {1994} }

TY - JOUR ID - faken_94_systematic L3 - citeulike-article-id:489815 N2 - The implementation of a method for systematic analysis of local atomic structure in combination with 3D computer graphics is described. The method, Common Neighbor Analysis, is a decomposition of the radial distribution function according to the local environment of the pairs of atoms and can provide direct interpretation of various features of the radial distribution function in terms of atomic structure. It can also be used to identify atoms in particular environment, such as FCC, HCP, BCC or icosahedral. We describe an application of this program to a study of crystal nucleation in a molten Cu slab. While the majority of atoms in the resulting crystals are classified as being FCC, stacking faults are observed and can be traced back to the near-critical nuclei. IS - 2 JF - Computational Materials Science EP - 286 TI - Systematic analysis of local atomic structure combined with 3D computer graphics VL - 2 SP - 279 KW - cna KW - my_gb_article AU - Faken, Daniel AU - Jonsson, Hannes PY - 1994/03// UR - http://dx.doi.org/10.1016/0927-0256(94)90109-0 ER -