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Visualization of carbon allotropes and melting simulations Numerical modeling of condensed matter systems is a rapidly developing field
 

Summary: Visualization of carbon allotropes and melting simulations
Numerical modeling of condensed matter systems is a rapidly developing field
of both intrinsic and technological interest. Schroedinger's equation can only be
solved analytically for the hydrogen atom. Helium, or the hydrogen molecule al-
ready require a numerical solution, and even nanoscale condensed matter systems
require sophisticated numerical methods. Modeling in tandem with laboratory
experiments is the ideal. In principle, the application of Newton's equations of
motion to potentials generated from the solution of Schroedinger's equation can
model any process that can occur, and generate any measurement that can be
made in the laboratory. In practice, computational shortcuts are required even
for picoseconds at the nanoscale.
Four important aspects of such modeling are:
choice of appropriate interesting systems with experiments at hand for com-
parison - for example nanotubes with adhered molecules (Yaish/Adler) and
supersolid bcc helium experiments (ISF project Polturak/Adler) planned at
the Technion.
the selection of the correct level of detail (full quantum mechanics, approxi-
mate potentials etc) - this is part of our Umbrella project (Adler/M. Bach-
mann (Juelich)/S. Srebnik) for modeling molecular adhesion on nanotubes
and patterned substrates.

  

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

 

Collections: Physics