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Procedia PHYSICS 00 (2010) 14 Procedia Physics

Summary: Procedia PHYSICS 00 (2010) 14
Procedia Physics
Visualization of nanodiamond formation in molten carbon under
Joan Adler, A. Sorkin, R. Kalish
Technion - IIT, Haifa, Israel
We discuss the characteristics and visualization of simulations of nanodiamond clusters grown
from molten carbon. The general trends of nanodiamond size and quality as functions of growth
conditions resemble those found experimentally. In particular, the probability of finding nanodi-
amonds, and their quality increased wth increasing sample density and cooling rate. We also
discuss finite size effects and possible phase transitions within molten graphite.
Keywords: Nnaodiamond and nanographite, tightbinding, Molecular Dynamics
1. Introduction
Carbon poses a special challenge to simulation and visualization because the different hy-
bridizations lead to different numbers of neighbours and geometric structures. There may be two
(e.g. linear chains or carbyne phase), three, when the bonding is known as sp2
(e.g. graphite)
and four, known as sp3
(e.g. diamond). Distinguishing visually between these types of bonding


Source: Adler, Joan - Physics Department, Technion, Israel Institute of Technology


Collections: Physics