How should thermodynamics for small systems be done?

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

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

Date: 19940112

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

Abstract:
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.