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Title: Simulation of Individual Atoms in Action

The atomic dynamics of the hole in graphene was simulated via a kinetic monte carlo method. Probabilities for atomic migration, insertion and ejection were determined by ab-initio calculation. The simmore »ulation starts with a predefined hole in a graphene sheet. As it proceeds, the hole grows and the atoms along the edge rearrange themselves. The zigzag configuration is found to dominate the armchair one.« less
Title: Simulation of Individual Atoms in Action
Publication Date: 2009-01-01
OSTI Identifier: 1047474
Resource Type: Multimedia
Research Org: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org: USDOE
Subject: 74 ATOMIC AND MOLECULAR PHYSICS ; physics ; atomic ; dynamics ; simulation ; kinetic ; monte ; carlo ; method ; migration ; insertion ; ejection ; ab-initio ; calculation ; zigzag ; LBNL ; Lawrence ; Berkeley
Country of Publication: United States
Language: English
Run Time: 0:00:16
System Entry Date: 2016-01-27