Grand Projection State: A Single Microscopic State to Determine Free Energy
- 15 November 2017
- journal article
- Published by Physical Society of Japan in Journal of the Physics Society Japan
- Vol. 86 (11)
- https://doi.org/10.7566/jpsj.86.114802
Abstract
In classical systems, we recently clarified the relationship between the spatial constraint and equilibrium macroscopic properties (especially, dynamical variables) in disordered states under a canonical ensemble: We found that a few special microscopic states, whose structures can be constructed without any information about the energy or temperature, can describe macroscopic properties. In this study, we extend our approach to a grand canonical ensemble, which finds a single special microscopic state to determine not only a grand-canonical average of the composition but also the Helmholtz free energy in a binary system, which has not been described by a single state.Keywords
Other Versions
This publication has 24 references indexed in Scilit:
- Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculationsPhysical Review B, 2009
- Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloysPhysical Review B, 2005
- Mixed-basis cluster expansion for thermodynamics of bcc alloysPhysical Review B, 2004
- Bulk and surface ordering phenomena in binary metal alloysJournal of Physics: Condensed Matter, 2003
- First-principles investigation of phase stability inPhysical Review B, 1998
- New Monte Carlo algorithm: Entropic samplingPhysical Review Letters, 1993
- Electronic properties of random alloys: Special quasirandom structuresPhysical Review B, 1990
- Special quasirandom structuresPhysical Review Letters, 1990
- DISTRIBUTION OF EIGENVALUES FOR SOME SETS OF RANDOM MATRICESMathematics of the USSR-Sbornik, 1967
- A Theory of Cooperative PhenomenaPhysical Review B, 1951