Configurational Temperature and Monte Carlo Simulations

• Autorzy: Brańka A. C. , Pieprzyk S.
• Języki publikacji: EN

Abstrakty

EN

Two configurational temperature expressions are investigated from the point of view of their utility as a diagnostic tool for Monte Carlo (MC) simulations. The MC calculations were performed for systems of spherically symmetric particles in the bulk and in a channel. Different density and system size conditions are considered. It is shown that the configurational temperature based on the ratio of two averages of the force functions can serve as a suitable method for calculating the temperature for the MC simulation. This configurational temperature can signal the presence of random number correlations and can serve as a cross-check formula in MC studies of strongly confined systems.

Słowa kluczowe

EN

temperature; configurational temperature; computer simulations; Monte Carlo method; confined systems

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2010
• Tom: Vol. 16, No. 2
• Strony: 119--125
• Opis fizyczny: Bibliogr. 12 poz., rys.

Twórcy

autor

Brańka A. C.

autor

Pieprzyk S.

• Institute of Molecular Physics, Polish Academy of Sciences, ul. M. Smoluchowskiego 17, 60-179 Poznań, Poland,

Bibliografia

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