How should thermodynamics for small systems be done?

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[1] Borrmann, Peter
来源
Borrmann, Peter | 1600年 / Publ by Elsevier Science Publishers B.V., Amsterdam, Netherlands卷 / 02期
关键词
Agglomeration - Argon - Atoms - Isomerization - Iterative methods - Mathematical models - Monte Carlo methods - Phase transitions - Quantum theory - Statistical mechanics;
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摘要
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.
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