Journal: Journal of Chemical Theory and Computation
Article Title: Novel Method for Realistically Simulating the Deposition of Thin Films from the Gas Phase and its Application to Study the Growth of Thin Gold Film on Crystalline Silicon
doi: 10.1021/acs.jctc.5c00319
Figure Lengend Snippet: Dislocations and stacking faults. Panel (a) shows the fly view of the system, presenting a line-based representation of the dislocation network combined with a sphere-based representation of stacking faults (Au atoms with hcp local structure are shown). The table in panel (b) summarizes the results of the DXA analysis and explains the color coding used in panel (a). The number of identified dislocation segments and their total length are given for each dislocation type.
Article Snippet: We also used other analysis methods, including the dislocation extraction algorithm (DXA) proposed by Stukowski, , implemented in OVITO, a program that we used for performing structural analyses (PTM, IDS and DXA) and for preparing visualizations.
Techniques: