How should thermodynamics for small systems be done?

Peter Borrmann   Phone: +49-441-798-3362   Fax: +49-441-798-3201

Computational Materials Science 2, p. 593 (1994) (for internal use only !)

Date: 19940112

Article: published in Computational Materials Science 2, p. 593 (1994)

We show that the question of which simulation method is the right one to
describe the thermal behaviour Of clusters is not a philosophical one.
Moreover we point out that getting better results might be accompanied By a
loss of information. Different points of view yield different results. The
number of iterations, let us call it Simulation time, plays a central role
here. Making use of the simulation data at higher temperatures the phase
Transitions and the effects of isomerisation are easy to understand.

DC-Metatags done by WUFI 1.1
Metadata by Thomas Severiens on 20 November 1998
Supporting work done by Sandra Valeska Bergmann.