Fundamental treatment of the isoenthalpic-isobaric ensemble
- 1 September 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 34 (3) , 2517-2519
- https://doi.org/10.1103/physreva.34.2517
Abstract
Fluctuation formulas which are characteristic of the classical isoenthalphic-isobaric ensemble are derived in a direct and fundamental way. The technique used is adapted from a new method introduced by Pearson, Halicioglu, and Tiller [Phys. Rev. A 32, 3030 (1985)] in their treatment of the microcanonical ensemble. The application of this new method to other adiabatic ensembles is also discussed.Keywords
This publication has 13 references indexed in Scilit:
- Laplace-transform technique for deriving thermodynamic equations from the classical microcanonical ensemblePhysical Review A, 1985
- Statistical ensembles and molecular dynamics studies of anisotropic solidsThe Journal of Chemical Physics, 1984
- Direct calculation of fluctuation formulae in the microcanonical ensembleMolecular Physics, 1981
- Statistical mechanics of the isoenthalpic-isobaric ensembleIl Nuovo Cimento B (1971-1996), 1981
- Molecular dynamics simulations extended to various ensembles. I. Equilibrium properties in the isoenthalpic–isobaric ensembleThe Journal of Chemical Physics, 1980
- On the isoenthalpic-isobaric ensemble in classical statistical mechanicsMolecular Physics, 1980
- Molecular dynamics simulations at constant pressure and/or temperatureThe Journal of Chemical Physics, 1980
- On the calculation of specific heats, thermal pressure coefficients and compressibilities in molecular dynamics simulationsMolecular Physics, 1977
- Ensemble Dependence of Fluctuations with Application to Machine ComputationsPhysical Review B, 1967
- Constant pressure ensembles in statistical mechanicsMolecular Physics, 1958